Subjects -> PHYSICS (Total: 857 journals)
    - ELECTRICITY AND MAGNETISM (10 journals)
    - MECHANICS (22 journals)
    - NUCLEAR PHYSICS (53 journals)
    - OPTICS (92 journals)
    - PHYSICS (625 journals)
    - SOUND (25 journals)
    - THERMODYNAMICS (30 journals)

PHYSICS (625 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 741 Journals sorted alphabetically
Acta Acustica     Open Access   (Followers: 4)
Acta Mechanica     Hybrid Journal   (Followers: 22)
Acta Scientifica Naturalis     Open Access   (Followers: 2)
Advanced Composite Materials     Hybrid Journal   (Followers: 75)
Advanced Electronic Materials     Hybrid Journal   (Followers: 7)
Advanced Functional Materials     Hybrid Journal   (Followers: 71)
Advanced Materials     Hybrid Journal   (Followers: 255)
Advanced Quantum Technologies     Hybrid Journal   (Followers: 3)
Advanced Science Focus     Free   (Followers: 6)
Advanced Structural and Chemical Imaging     Open Access   (Followers: 2)
Advanced Theory and Simulations     Hybrid Journal   (Followers: 2)
Advances in Clinical Radiology     Full-text available via subscription   (Followers: 4)
Advances in Condensed Matter Physics     Open Access   (Followers: 5)
Advances in Geophysics     Full-text available via subscription   (Followers: 7)
Advances in High Energy Physics     Open Access   (Followers: 23)
Advances in Imaging and Electron Physics     Full-text available via subscription   (Followers: 4)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 33)
Advances in Natural Sciences : Nanoscience and Nanotechnology     Open Access   (Followers: 28)
Advances in OptoElectronics     Open Access   (Followers: 6)
Advances In Physics     Hybrid Journal   (Followers: 29)
Advances in Physics : X     Open Access   (Followers: 4)
Advances in Physics Theories and Applications     Open Access   (Followers: 12)
Advances in Remote Sensing     Open Access   (Followers: 59)
Aggregate     Open Access   (Followers: 1)
AIP Advances     Open Access   (Followers: 7)
AIP Conference Proceedings     Full-text available via subscription   (Followers: 2)
American Journal of Condensed Matter Physics     Open Access   (Followers: 7)
American Journal of Signal Processing     Open Access   (Followers: 14)
Anales (Asociación Física Argentina)     Open Access  
Analysis and Mathematical Physics     Hybrid Journal   (Followers: 9)
Annalen der Physik     Hybrid Journal   (Followers: 5)
Annales Geophysicae (ANGEO)     Open Access   (Followers: 21)
Annales Henri Poincaré     Hybrid Journal   (Followers: 2)
Annals of Nuclear Medicine     Hybrid Journal   (Followers: 6)
Annals of Physics     Hybrid Journal   (Followers: 7)
Annals of West University of Timisoara - Physics     Open Access   (Followers: 1)
Annual Reports on NMR Spectroscopy     Full-text available via subscription   (Followers: 4)
Annual Review of Analytical Chemistry     Full-text available via subscription   (Followers: 12)
Annual Review of Condensed Matter Physics     Full-text available via subscription   (Followers: 3)
Annual Review of Materials Research     Full-text available via subscription   (Followers: 8)
APL Materials     Open Access   (Followers: 12)
Applied Composite Materials     Hybrid Journal   (Followers: 54)
Applied Mathematics and Physics     Open Access   (Followers: 2)
Applied Physics A     Hybrid Journal   (Followers: 15)
Applied Physics Frontier     Open Access   (Followers: 2)
Applied Physics Letters     Hybrid Journal   (Followers: 44)
Applied Physics Research     Open Access   (Followers: 5)
Applied Physics Reviews     Hybrid Journal   (Followers: 11)
Applied Radiation and Isotopes     Hybrid Journal   (Followers: 4)
Applied Spectroscopy     Full-text available via subscription   (Followers: 24)
Applied Spectroscopy Reviews     Hybrid Journal   (Followers: 4)
Archive for Rational Mechanics and Analysis     Hybrid Journal   (Followers: 1)
Asia Pacific Physics Newsletter     Hybrid Journal   (Followers: 1)
Asian Journal of Physical and Chemical Sciences     Open Access   (Followers: 2)
ASTRA Proceedings     Open Access   (Followers: 3)
Astronomy & Geophysics     Hybrid Journal   (Followers: 49)
Astronomy and Astrophysics Review     Hybrid Journal   (Followers: 39)
Atoms     Open Access   (Followers: 1)
Attention, Perception & Psychophysics     Full-text available via subscription   (Followers: 15)
Axioms     Open Access   (Followers: 1)
Bangladesh Journal of Medical Physics     Open Access  
Bauphysik     Hybrid Journal   (Followers: 1)
Biomaterials     Hybrid Journal   (Followers: 55)
Biomedical Imaging and Intervention Journal     Open Access   (Followers: 5)
Biophysical Reviews     Hybrid Journal   (Followers: 2)
Biophysical Reviews and Letters     Hybrid Journal   (Followers: 5)
BJR|Open     Open Access  
Boson Journal of Modern Physics     Open Access   (Followers: 9)
Brazilian Journal of Physics     Hybrid Journal  
Bulletin of Materials Science     Open Access   (Followers: 43)
Bulletin of Taras Shevchenko National University of Kyiv. Series: Physics and Mathematics     Open Access  
Bulletin of the Atomic Scientists     Hybrid Journal   (Followers: 7)
Bulletin of the Lebedev Physics Institute     Hybrid Journal  
Bulletin of the Russian Academy of Sciences: Physics     Hybrid Journal   (Followers: 1)
Caderno Brasileiro de Ensino de Física     Open Access  
Canadian Journal of Physics     Hybrid Journal   (Followers: 11)
Cell Reports Physical Science     Open Access  
Cells     Open Access   (Followers: 2)
CERN courier. International journal of high energy physics     Free   (Followers: 8)
Chemical Physics Impact     Full-text available via subscription  
ChemPhysMater     Full-text available via subscription  
Chinese Journal of Chemical Physics     Hybrid Journal   (Followers: 1)
Chinese Journal of Physics     Hybrid Journal   (Followers: 1)
Ciencia     Open Access  
Clinical Spectroscopy     Open Access   (Followers: 1)
Cogent Physics     Open Access  
Colloid Journal     Hybrid Journal   (Followers: 2)
Communications in Mathematical Physics     Hybrid Journal   (Followers: 2)
Communications in Numerical Methods in Engineering     Hybrid Journal   (Followers: 2)
Communications Materials     Open Access  
Communications Physics     Open Access  
Complex Analysis and its Synergies     Open Access   (Followers: 2)
Composites Part A : Applied Science and Manufacturing     Hybrid Journal   (Followers: 175)
Composites Part B : Engineering     Hybrid Journal   (Followers: 221)
Composites Part C : Open Access     Open Access   (Followers: 2)
Computational Astrophysics and Cosmology     Open Access   (Followers: 6)
Computational Condensed Matter     Open Access   (Followers: 1)
Computational Materials Science     Hybrid Journal   (Followers: 25)
Computational Mathematics and Mathematical Physics     Hybrid Journal   (Followers: 5)
Computational Particle Mechanics     Hybrid Journal   (Followers: 1)
Computer Physics Communications     Hybrid Journal   (Followers: 9)
Condensed Matter     Open Access   (Followers: 2)
Contemporary Physics     Hybrid Journal   (Followers: 26)
Continuum Mechanics and Thermodynamics     Hybrid Journal   (Followers: 8)
Contributions to Plasma Physics     Hybrid Journal   (Followers: 3)
Cryogenics     Hybrid Journal   (Followers: 61)
Current Applied Physics     Full-text available via subscription   (Followers: 4)
Current Science     Open Access   (Followers: 116)
Diagnostic and Interventional Imaging     Full-text available via subscription  
Diamond and Related Materials     Hybrid Journal   (Followers: 10)
Discrete and Continuous Models and Applied Computational Science     Open Access  
Doklady Physics     Hybrid Journal   (Followers: 1)
e-Boletim da Física     Open Access  
East European Journal of Physics     Open Access   (Followers: 1)
Edufisika : Jurnal Pendidikan Fisika     Open Access  
EDUSAINS     Open Access  
Egyptian Journal of Remote Sensing and Space Science     Open Access   (Followers: 25)
EJNMMI Physics     Open Access  
Emergent Scientist     Open Access  
Engineering Failure Analysis     Hybrid Journal   (Followers: 68)
Engineering Fracture Mechanics     Hybrid Journal   (Followers: 24)
Environmental Fluid Mechanics     Hybrid Journal   (Followers: 11)
EPJ Quantum Technology     Open Access   (Followers: 2)
EPJ Techniques and Instrumentation     Open Access  
EPJ Web of Conferences     Open Access   (Followers: 1)
EUREKA : Physics and Engineering     Open Access  
European Physical Journal - Applied Physics     Full-text available via subscription   (Followers: 19)
European Physical Journal C     Hybrid Journal   (Followers: 2)
Europhysics News     Open Access  
Experimental and Computational Multiphase Flow     Hybrid Journal  
Experimental Mechanics     Hybrid Journal   (Followers: 21)
Experimental Techniques     Hybrid Journal   (Followers: 51)
Exploration Geophysics     Hybrid Journal   (Followers: 4)
Few-Body Systems     Hybrid Journal   (Followers: 1)
Fire and Materials     Hybrid Journal   (Followers: 5)
FirePhysChem     Open Access  
Flexible Services and Manufacturing Journal     Hybrid Journal   (Followers: 2)
Fluctuation and Noise Letters     Hybrid Journal  
Fluid Dynamics     Hybrid Journal   (Followers: 27)
Fortschritte der Physik/Progress of Physics     Hybrid Journal  
Frontiers in Nanotechnology     Open Access   (Followers: 1)
Frontiers in Physics     Open Access   (Followers: 6)
Frontiers of Materials Science     Hybrid Journal   (Followers: 5)
Frontiers of Physics     Hybrid Journal   (Followers: 2)
Fusion Engineering and Design     Hybrid Journal   (Followers: 6)
Geochemistry, Geophysics, Geosystems     Full-text available via subscription   (Followers: 35)
Geografiska Annaler, Series A : Physical Geography     Hybrid Journal   (Followers: 4)
Geophysical Research Letters     Full-text available via subscription   (Followers: 162)
Giant     Open Access  
Glass Physics and Chemistry     Hybrid Journal   (Followers: 1)
Granular Matter     Hybrid Journal  
Graphs and Combinatorics     Hybrid Journal   (Followers: 4)
Gravitation and Cosmology     Hybrid Journal   (Followers: 6)
Heat Transfer - Asian Research     Hybrid Journal   (Followers: 11)
High Energy Density Physics     Hybrid Journal   (Followers: 3)
High Pressure Research: An International Journal     Hybrid Journal   (Followers: 3)
Himalayan Physics     Open Access   (Followers: 1)
IEEE Embedded Systems Letters     Hybrid Journal   (Followers: 60)
IEEE Journal of Quantum Electronics     Hybrid Journal   (Followers: 19)
IEEE Journal on Multiscale and Multiphysics Computational Techniques     Hybrid Journal  
IEEE Magnetics Letters     Hybrid Journal   (Followers: 7)
IEEE Nanotechnology Magazine     Hybrid Journal   (Followers: 45)
IEEE Reviews in Biomedical Engineering     Hybrid Journal   (Followers: 19)
IEEE Signal Processing Magazine     Full-text available via subscription   (Followers: 98)
IEEE Solid-State Circuits Magazine     Hybrid Journal   (Followers: 11)
IEEE Transactions on Autonomous Mental Development     Hybrid Journal   (Followers: 8)
IEEE Transactions on Biomedical Engineering     Hybrid Journal   (Followers: 35)
IEEE Transactions on Broadcasting     Hybrid Journal   (Followers: 11)
IEEE Transactions on Geoscience and Remote Sensing     Hybrid Journal   (Followers: 174)
IEEE Transactions on Haptics     Hybrid Journal   (Followers: 4)
IEEE Transactions on Industrial Electronics     Hybrid Journal   (Followers: 85)
IEEE Transactions on Industry Applications     Hybrid Journal   (Followers: 57)
IEEE Transactions on Learning Technologies     Full-text available via subscription   (Followers: 12)
IEEE Transactions on Quantum Engineering     Open Access   (Followers: 3)
IEEE Transactions on Services Computing     Hybrid Journal   (Followers: 5)
IEEE Transactions on Software Engineering     Hybrid Journal   (Followers: 84)
IEEE Women in Engineering Magazine     Hybrid Journal   (Followers: 11)
IEEE/OSA Journal of Optical Communications and Networking     Hybrid Journal   (Followers: 19)
IET Optoelectronics     Open Access   (Followers: 2)
Il Colle di Galileo     Open Access  
Image Analysis & Stereology     Open Access   (Followers: 1)
Imaging Science Journal     Hybrid Journal   (Followers: 3)
ImmunoInformatics     Open Access   (Followers: 1)
Indian Journal of Biochemistry and Biophysics (IJBB)     Open Access   (Followers: 3)
Indian Journal of Physics     Hybrid Journal   (Followers: 18)
Indian Journal of Pure & Applied Physics (IJPAP)     Open Access   (Followers: 36)
Indian Journal of Radio & Space Physics (IJRSP)     Open Access   (Followers: 49)
Infinite Dimensional Analysis, Quantum Probability and Related Topics     Hybrid Journal   (Followers: 1)
InfraMatics     Open Access  
Infrared Physics & Technology     Hybrid Journal   (Followers: 11)
Intelligent Transportation Systems Magazine, IEEE     Full-text available via subscription   (Followers: 12)
Intermetallics     Hybrid Journal   (Followers: 21)
International Applied Mechanics     Hybrid Journal   (Followers: 5)
International Heat Treatment and Surface Engineering     Hybrid Journal   (Followers: 5)
International Journal for Computational Methods in Engineering Science and Mechanics     Hybrid Journal   (Followers: 13)
International Journal for Ion Mobility Spectrometry     Hybrid Journal   (Followers: 1)
International Journal for Simulation and Multidisciplinary Design Optimization     Open Access   (Followers: 5)
International Journal of Abrasive Technology     Hybrid Journal   (Followers: 2)
International Journal of Aeroacoustics     Hybrid Journal   (Followers: 37)
International Journal of Applied Electronics in Physics & Robotics     Open Access   (Followers: 3)

        1 2 3 4 | Last

Similar Journals
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Computational Materials Science
Journal Prestige (SJR): 1.766
Citation Impact (citeScore): 3
Number of Followers: 25  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 0927-0256 - ISSN (Online) 0927-0256
Published by Elsevier Homepage  [2906 journals]
  • Recent progress on the mesoscale modeling of architected thin-films via
           phase-field formulations of physical vapor deposition

    • Free pre-print version: Loading...

      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): James A. Stewart
       
  • The role of carbon allotropes on the radiation resistance of Cu-based
           nanocomposites: An atomistic, energetic, and thermodynamic perspective

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Maryam Amini, Behnam Azadegan, Hamed Akbarzadeh, Reza Gharaei
       
  • Sr2+ and Ba2+ salts induced conformational structure of sodium
           polyacrylate PAA investigated by molecular dynamics simulations

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Abhishek Kumar Gupta
       
  • Monte-Carlo modeling of phonon thermal transport using DFT-based
           anisotropic dispersion relations over the full Brillouin zone

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Jie Peng, W. Ryan Deskins, Anter El-Azab
       
  • Screening for shape memory alloys with narrow thermal hysteresis using
           combined XGBoost and DFT calculation

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Xiaohua Tian, Liwen Zhou, Kun Zhang, Qiu Zhao, Hongxing Li, Dingding Shi, Tianyou Ma, Cheng Wang, Qinlong Wen, Changlong Tan
       
  • Crystal structure prediction with machine learning-based element
           substitution

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Minoru Kusaba, Chang Liu, Ryo Yoshida
       
  • A b + i n i t i o +morphology+prediction+of+Zr+hydride+precipitates+using+atomistically+informed+Eshelby’s+ellipsoidal+inclusion&rft.title=Computational+Materials+Science&rft.issn=0927-0256&rft.date=&rft.volume=">A b i n i t i o morphology prediction of Zr hydride precipitates using
           atomistically informed Eshelby’s ellipsoidal inclusion

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Akio Ishii
       
  • High-dimensional Bayesian optimization of 23 hyperparameters over 100
           iterations for an attention-based network to predict materials property: A
           case study on CrabNet using Ax platform and SAASBO

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Sterling G. Baird, Marianne Liu, Taylor D. Sparks
       
  • mechanoChemML: A software library for machine learning in computational
           materials physics

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): X. Zhang, G.H. Teichert, Z. Wang, M. Duschenes, S. Srivastava, E. Livingston, J. Holber, M. Faghih Shojaei, A. Sundararajan, K. Garikipati
       
  • Efficiency of the vacancy pipe diffusion along an edge dislocation in MgO

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Marie Landeiro Dos Reis, Yvelin Giret, Philippe Carrez, Patrick Cordier
       
  • Designing active layer of organic solar cells using multi-fidelity
           molecular simulations and spectral density function

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Umar Farooq Ghumman, Anton van Beek, Joydeep Munshi, TeYu Chien, Ganesh Balasubramanian, Wei Chen
       
  • PSO-SVR predicting for the Ehull of ABO3-type compounds to screen the
           thermodynamic stable perovskite candidates based on multi-scale
           descriptors

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Lanping Chen, Xuechen Wang, Wenjie Xia, Changhai Liu
       
  • Parallel GPU-accelerated adaptive mesh refinement on two-dimensional
           phase-field lattice Boltzmann simulation of dendrite growth

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Shinji Sakane, Takayuki Aoki, Tomohiro Takaki
       
  • Atomistic investigation of elementary dislocation properties influencing
           mechanical behaviour of Cr15Fe46Mn17Ni22 alloy and Cr20Fe70Ni10 alloy

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Ayobami Daramola, Anna Fraczkiewicz, Giovanni Bonny, Akiyoshi Nomoto, Gilles Adjanor, Christophe Domain, Ghiath Monnet
       
  • Accelerated computation of lattice thermal conductivity using neural
           network interatomic potentials

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Jeong Min Choi, Kyeongpung Lee, Sangtae Kim, Minseok Moon, Wonseok Jeong, Seungwu Han
       
  • A virtual sample generation algorithm supporting machine learning with a
           small-sample dataset: A case study for rubber materials

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Lijun Shen, Quan Qian
       
  • Enhanced thermoelectric performance from bulk to monolayer BiSbS3 from
           first principle study

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Bin Xu, Shaoheng Yuan, Xinyu Liu, Shanshan Ma, Jing Zhang, Yusheng Wang, Jifang Li, Zihua Gu, Lin Yi
       
  • Chemical weathering mechanism of Albite-rich rocks in Grottoes under an
           acidic environment: An atomistic view from ReaxFF simulation

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Junxia Wang
       
  • Speeding up tight binding calculations using zone-folding methods

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      Abstract: Publication date: August 2022Source: Computational Materials Science, Volume 211Author(s): Tian-Xiang Liu, Mats-Erik Pistol, Craig Pryor, Li Mao
       
  • Changing your tune on catalytic efficiency: Tuning Cr concentration in
           La0.3Sr0.7Fe1-xCrxO3-δ perovskite as a cathode in solid oxide
           electrolysis cell

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Vicky Fidelsky Kozokaro, Santu Biswas, Maytal Caspary Toroker
       
  • The trapping effects of silicon and phosphorus on point defects in
           γ-Fe

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Jinli Cao, Shi Wu, Heyu Zhu, Ziran Liu, Yankun Dou, Wen Yang, Chen Huang, Xinfu He
       
  • Molecular dynamics simulations on AlCl3-LiCl molten salt with
           deep learning potential

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Min Bu, Wenshuo Liang, Guimin Lu
       
  • SPaMD studio: An integrated platform for atomistic modeling, simulation,
           analysis, and visualization

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      Abstract: Publication date: Available online 19 November 2021Source: Computational Materials ScienceAuthor(s): Z.R. Liu, B.N. Yao, R.F. Zhang
       
  • Theoretical investigation on the structure of mixed-metal zeolitic
           imidazolate framework and its interaction with CO2

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      Abstract: Publication date: Available online 19 November 2021Source: Computational Materials ScienceAuthor(s): Fajar Inggit Pambudi, Niko Prasetyo
       
  • 3 +(A+=+Ca,+Sr)+under+pressure&rft.title=Computational+Materials+Science&rft.issn=0927-0256&rft.date=&rft.volume=">Band topology resisted spin-state evolution of perovskite ACoO 3 (A =
           Ca, Sr) under pressure

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      Abstract: Publication date: Available online 19 November 2021Source: Computational Materials ScienceAuthor(s): Akkarach Sukserm, Udomsilp Pinsook, Teerachote Pakornchote, Prutthipong Tsuppayakorn-aek, Wiwittawin Sukmas, Thiti Bovornratanaraks
       
  • Superconductivity induced by Ag intercalation in Dirac semimetal
           Bi2Se3

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      Abstract: Publication date: Available online 17 November 2021Source: Computational Materials ScienceAuthor(s): S. Koley, Saurabh Basu
       
  • Phase-field simulation of dislocation interaction with damage loops
           created by irradiation in tungsten

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      Abstract: Publication date: Available online 17 November 2021Source: Computational Materials ScienceAuthor(s): Dan Sun, Jijun Zhao
       
  • Optimization of SiO2 with GHA and basin hopping

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      Abstract: Publication date: Available online 17 November 2021Source: Computational Materials ScienceAuthor(s): Antti Lahti, Ralf Östermark, Kalevi Kokko
       
  • 2 CN+from+ambient+pressure+to+100+GPa:+A+first-principles+study&rft.title=Computational+Materials+Science&rft.issn=0927-0256&rft.date=&rft.volume=">Prediction of structural and phase transitions of Th 2 CN from
           ambient pressure to 100 GPa: A first-principles study

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      Abstract: Publication date: Available online 15 November 2021Source: Computational Materials ScienceAuthor(s): Qian Qiu, Zhiguang Liao, Yongliang Guo, Ping Huai, Zhiyuan Zhu, Cuilan Ren, Xuezhi Ke
       
  • A machine learning approach to predict thermal expansion of complex oxides

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      Abstract: Publication date: Available online 15 November 2021Source: Computational Materials ScienceAuthor(s): Jian Peng, N.S. Harsha Gunda, Craig A. Bridges, Sangkeun Lee, J. Allen Haynes, Dongwon Shin
       
  • Interfacial layer thickness is a key parameter in determining the gas
           separation properties of spherical nanoparticles-mixed matrix membranes: A
           modeling perspective

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      Abstract: Publication date: Available online 14 November 2021Source: Computational Materials ScienceAuthor(s): Ehsan Chehrazi
       
  • First-principles study on the surface oxidation behavior of ternary M6C6
           (M6 = Zr5Ti, Zr5Ta, Hf5Ti, Hf5Ta) carbides

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      Abstract: Publication date: Available online 12 November 2021Source: Computational Materials ScienceAuthor(s): Zhen Zhang, Junhao Yuan, Zhen Li, Qing Wang, Yufeng Liu, Zhongwei Zhang
       
  • Ensemble-based machine learning models for phase prediction in high
           entropy alloys

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      Abstract: Publication date: Available online 12 November 2021Source: Computational Materials ScienceAuthor(s): Aayesha Mishra, Lakshminarayana Kompella, Lalit Mohan Sanagavarapu, Sreedevi Varam
       
  • Bayesian calibration of strength model parameters from Taylor impact data

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      Abstract: Publication date: Available online 12 November 2021Source: Computational Materials ScienceAuthor(s): David Rivera, Jason Bernstein, Kathleen Schmidt, Amanda Muyskens, Matthew Nelms, Nathan Barton, Ana Kupresanin, Jeff Florando
       
  • Machine learning reinforced microstructure-sensitive prediction of
           material property closures

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      Abstract: Publication date: Available online 12 November 2021Source: Computational Materials ScienceAuthor(s): Mahmudul Hasan, Pinar Acar
       
  • First-principles calculations of (0 0 1) α -Al//(0 0 1) θ'
           interface in Al-Cu alloys: Atomic structure, bonding strength, stability
           and electronic properties

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Xiangkai Chen, Xiaohua Chen, Zidong Wang, Jian Yang, Kaixuan Chen, Yanlin Wang
       
  • A new method for computing the anisotropic free energy of the crystal-melt
           interface

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Lingkang Wu, Baoqin Fu, Li Wang, Lin Liu, Guichao Hu, Ben Xu, Youliang Zhang, Jin Liu
       
  • Direct space approach in action: Challenging structure solution of
           microcrystalline materials using the EXPO software

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Corrado Cuocci, Nicola Corriero, Marzia Dell'Aera, Aurelia Falcicchio, Rosanna Rizzi, Angela Altomare
       
  • The role of entropy and enthalpy in high entropy carbides

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Xiaochuan Tang, Gregory B. Thompson, Kaka Ma, Christopher R. Weinberger
       
  • Comparison of three state-of-the-art crystal plasticity based deformation
           twinning models for magnesium alloys

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Jiahao Cheng, Hyuk Jong Bong, Hua Qiao, Xiaohua Hu, Xin Sun, Somnath Ghosh, Peidong Wu
       
  • The influence of atomic delocalization on dynamic behavior in Ce-Ni
           metallic melts

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Yawei Lei, Rulong Zhou, Bo Zhang
       
  • DefAP: A Python code for the analysis of point defects in crystalline
           solids

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): William D. Neilson, Samuel T. Murphy
       
  • An atomistic study of self-accommodation martensite morphologies and
           microstructure evolution during forward and reverse martensitic
           transformations in single crystal and bicrystal NiTi alloys

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): S. Liu, C.B. Ke, S. Cao, X. Ma, Z.X. Zhao, Y.W. Li, X.P. Zhang
       
  • Atomistic simulations of mechanical properties and fracture of graphene: A
           review

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): M.A. Torkaman-Asadi, M.A. Kouchakzadeh
       
  • Discovery of direct band gap perovskites for light harvesting by using
           machine learning

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Smarak Rath, G. Sudha Priyanga, N. Nagappan, Tiju Thomas
       
  • Hydriding pathway for Ni nanoparticles: Computational characterization
           provides insights into the nanoparticle size and facet effect on
           layer-by-layer subsurface hydride formation

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Swati Rana, Namrata Masli, Dayadeep S. Monder, Abhijit Chatterjee
       
  • Graphdiyne@MoS2/WS2 heterostructures for infrared and visible
           photodetectors: A first-principles study

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Chuyu Li, Junhao Peng, Hongfu Huang, Zixuan Li, Jiawei Chen, Huafeng Dong, Minru Wen, Fugen Wu
       
  • Σ 11 +tilt+grain+boundaries+in+BCC+Fe+:+Formation+of+new+grain+boundaries&rft.title=Computational+Materials+Science&rft.issn=0927-0256&rft.date=&rft.volume=">Twin interaction with Σ 11 tilt grain boundaries in BCC Fe : Formation of
           new grain boundaries

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): G. Sainath, A. Nagesha
       
  • First-principles investigations of Zr-based quaternary Heusler alloys for
           spintronic and thermoelectric applications

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Hind Alqurashi, Raad Haleoot, Bothina Hamad
       
  • Prediction of amorphous forming ability based on artificial neural network
           and convolutional neural network

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Fei Lu, Yongchao Liang, Xingying Wang, Tinghong Gao, Qian Chen, Yunchun Liu, Yu Zhou, Yongkai Yuan, Yutao Liu
       
  • Interfacial contact and electronic properties in the heterojunction based
           on black phosphorus and borophene

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Sicheng Jing, Jinghua Pan, Wen Chen, Wei Li, Baoan Bian, Bin Liao, Guoliang Wang
       
  • Gilbert damping, electronic and magnetic properties for quaternary Heusler
           alloys CrYCoZ: First-principles and Monte Carlo studies

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Xiao-Ping Wei, Xin Zhang, Jing Shen, Wen-Li Chang, Xiaoma Tao
       
  • Modeling of the tension-compression asymmetry reduction of ECAPed
           Mg-3Al-1Zn through grain fragmentation

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Ali Al-Hadi I. Kobaissy, Georges Ayoub, Mutasem Shehadeh
       
  • Screening of the mechanical stability of M 2 AX phases for nuclear
           applications

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Giovanni Bonny, Alexander Bakaev, Konstantina Lambrinou
       
  • B2O3+nanoparticles+based+on+molecular+dynamics+simulation&rft.title=Computational+Materials+Science&rft.issn=0927-0256&rft.date=&rft.volume=">Low temperature co-sintering simulation and properties analysis of 3D
           printed SiO2 B2O3 nanoparticles based on molecular dynamics simulation

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Chaoyu Liang, Jin Huang, Wang Guo, Hongxiao Gong
       
  • Unraveling the adsorption behaviors of uranium and thorium on the
           hydroxylated titanium carbide MXene

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Cheng Meng, Xiyu Gao, Shufen Zou, Bing Na, Weirui Feng, Ying Dai, Dingzhong Yuan, Bangming Ming
       
  • First principles study of the lattice thermal conductivity of alkaline
           earth oxides

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Yangyang Ma, Shu Yang, Kaihua He, Cheng Lu
       
  • Molecular dynamics simulation of grain size effect on mechanism of twin
           martensite transformation of nanocrystalline NiTi shape memory alloys

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Bingfei Liu, Zhifan Li, Chunzhi Du, Wenping Wu
       
  • Molecular dynamics simulations to quantify the interaction of a rigid and
           impenetrable precipitate with an edge dislocation in Cu

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): K. Tsugawa, S. Hayakawa, Y. Iwase, T. Okita, K. Suzuki, M. Itakura, M. Aichi
       
  • Atomistic characterisation of graphite oxidation and thermal decomposition
           mechanism under isothermal and Non-Isothermal heating scheme

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Ivan Miguel De Cachinho Cordeiro, Anthony Chun Yin Yuen, Timothy Bo Yuan Chen, Wei Wang, Wei Yang, Qing Nian Chan, Guan Heng Yeoh
       
  • Hydrogenation, width and strain effect in Me-graphene devices

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): A. Sampaio-Silva, D.F. Ferreira, C.A.B. Silva, J. Del Nero
       
  • Recent progress in the phase-field dislocation dynamics method

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Shuozhi Xu
       
  • Phase field-finite element analysis of magnetic-induced deformation in
           ferromagnetic shape memory alloy

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Xi Xie
       
  • Understanding the geometric structure, electronic and stability properties
           of anionic germanium-doped magnesium clusters: Gas-phase GeMgn −
           (n = 2–12) DFT study

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Yu-Jin Li, Yu-Jie Hao, Ke Jiang, Lu Zeng, Feng-Yue Sun
       
  • Investigation of structural, magnetic and electronic properties of CoMnSb
           superstructure: A DFT study

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Madhusmita Baral, Tapas Ganguli, Aparna Chakrabarti
       
  • Accelerated materials design using batch Bayesian optimization: A case
           study for solving the inverse problem from materials microstructure to
           process specification

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): P. Honarmandi, V. Attari, R. Arroyave
       
  • Calculating the Raman signal beyond perturbation theory for a diatomic
           molecular crystal

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Peter I.C. Cooke, Ioan B. Magdău, Graeme J. Ackland
       
  • Density functional theory and molecular dynamics simulation of the
           corrosive particle diffusion in pyrimidine and its derivatives films

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): I.B. Obot, Ashraf A. Bahraq, Aeshah H. Alamri
       
  • Are metal dopant and ligands efficient to optimize the adsorption rate of
           CH4, H2 and H2S on IRMOFs' Insights from factorial design

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Nailton M. Rodrigues, José R.S. Politi, João B.L. Martins
       
  • Prediction of flatness defects and of the stable configuration of thin
           multilayer assemblies due to chemical shrinkage

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): N. Mathieu, C. Czarnota, H. Obeid, S. Mercier
       
  • Probing the structural evolution, electronic and vibrational properties of
           magnesium clusters doped with two lithium atoms

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Su Hong Liu, Ya Jie Qi, Yu Zhu Jin, Yu Ying Wang, Cong Liu, Hua Yang, Zi Xuan Zhang
       
  • Electronic and magnetic properties of sub-unit cell α-Fe2O3 films on the
           α-Al2O3 (0001) substrate

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Jiajia Niu, Yixiao Jiang, Yibo He, Ang Tao, Chunlin Chen, Xiu-Liang Ma, Hengqiang Ye
       
  • 3D pattern formation from coupled Cahn-Hilliard and Swift-Hohenberg
           equations: Morphological phases transitions of polymers, bock and diblock
           copolymers

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): F. Martínez-Agustín, S. Ruiz-Salgado, B. Zenteno-Mateo, E. Rubio, M.A. Morales
       
  • Conversion of stacking fault tetrahedra to bubbles in dual (Kr, He)-beam
           irradiated copper

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Rayaprolu Goutham Sreekar Annadanam, Cuncai Fan, Tongjun Niu, Xinghang Zhang, Anter El-Azab
       
  • Calculation of thermomagnetic properties using first-principles density
           functional theory

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): S. Emad Rezaei, Mona Zebarjadi, Keivan Esfarjani
       
  • Concurrent model for sharp and progressive columnar to equiaxed
           transitions validated by directional solidification experiments processed
           in microgravity conditions

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Robin P. Mooney, Laszlo Sturz, Gerhard Zimmermann, Nathalie Mangelinck-Noël, Henri Nguyen-Thi, Yuze Li, David J. Browne, Shaun McFadden
       
  • Automated semantic segmentation of NiCrBSi-WC optical microscopy images
           using convolutional neural networks

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Dylan Rose, Justin Forth, Hani Henein, Tonya Wolfe, Ahmed Jawad Qureshi
       
  • 2 +adsorption+properties&rft.title=Computational+Materials+Science&rft.issn=0927-0256&rft.date=&rft.volume=">Graph neural network predictions of metal organic framework CO 2
           adsorption properties

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      Abstract: Publication date: July 2022Source: Computational Materials Science, Volume 210Author(s): Kamal Choudhary, Taner Yildirim, Daniel W. Siderius, A. Gilad Kusne, Austin McDannald, Diana L. Ortiz-Montalvo
       
  • Validation of moment tensor potentials for fcc and bcc metals using EXAFS
           spectra

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      Abstract: Publication date: Available online 22 November 2021Source: Computational Materials ScienceAuthor(s): Alexander V. Shapeev, Dmitry Bocharov, Alexei Kuzmin
       
  • Elucidating the influence of native defects on electrical and optical
           properties in semiconducting oxides: An experimental and theoretical
           investigation

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      Abstract: Publication date: Available online 22 November 2021Source: Computational Materials ScienceAuthor(s): Shashi Pandey, Alok Shukla, Anurag Tripathi
       
  • Grain boundary kinetics in magnesium alloys from first principles

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      Abstract: Publication date: Available online 21 November 2021Source: Computational Materials ScienceAuthor(s): Reza Mahjoub, Michael Ferry, Nikki Stanford
       
  • VX (X = S, Se) as anchoring materials for lithium-sulfur batteries – A
           theoretical study

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      Abstract: Publication date: Available online 20 November 2021Source: Computational Materials ScienceAuthor(s): Lihong Song, Mingang Zhang, Xiangyu Cao, Jin Guo
       
  • Quantifying proton diffusion in acid-functionalized chitosan membranes

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      Abstract: Publication date: Available online 19 November 2021Source: Computational Materials ScienceAuthor(s): Gloria Bazargan, Sean A. Fischer, Daniel Gunlycke
       
  • Spallation fracture dependence on shock intensity and loading duration in
           single-crystal aluminum

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      Abstract: Publication date: Available online 30 November 2021Source: Computational Materials ScienceAuthor(s): Xin Yang, Xiangguo Zeng, Fang Wang, Jun Ding, Han Zhao, Bing Xue
       
  • Competitive growth of diverging columnar grains during directional
           solidification: A three-dimensional phase-field study

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      Abstract: Publication date: Available online 26 November 2021Source: Computational Materials ScienceAuthor(s): Chunwen Guo, Kangrong Weng, Jincheng Wang, Hongliang Zhao, Xianglei Dong, Yuheng Fan, Junjie Li
       
  • Dynamic stability of CNTs-reinforced non-uniform composite beams under
           axial excitation loading

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      Abstract: Publication date: Available online 24 November 2021Source: Computational Materials ScienceAuthor(s): Wei-bin Yuan, Long-Yuan Li, Sung-Hwan Jang
       
  • Molecular dynamics simulations of lanthanum chloride by deep learning
           potential

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      Abstract: Publication date: Available online 24 November 2021Source: Computational Materials ScienceAuthor(s): Taixi Feng, Jia Zhao, Wenshuo Liang, Guimin Lu
       
  • First-principles analysis of the grain boundary segregation of transition
           metal alloying elements in γFe

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      Abstract: Publication date: Available online 24 November 2021Source: Computational Materials ScienceAuthor(s): Kazuma Ito, Hideaki Sawada
       
  • Molecular dynamics simulations on the intergranular crack propagation of
           magnesium bicrystals

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      Abstract: Publication date: Available online 24 November 2021Source: Computational Materials ScienceAuthor(s): Zheyuan Xing, Haidong Fan, Guozheng Kang
       
  • Ab-initio investigation of Er3+ defects in tungsten disulfide

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      Abstract: Publication date: Available online 24 November 2021Source: Computational Materials ScienceAuthor(s): Gabriel I. López-Morales, Alexander Hampel, Gustavo E. López, Vinod M. Menon, Johannes Flick, Carlos A. Meriles
       
  • Physical property and interface binding energy calculation of
           polyimide/boron nitride nanosheets thermally conductive composite
           insulating materials

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      Abstract: Publication date: Available online 23 November 2021Source: Computational Materials ScienceAuthor(s): Xiaosong Wang, Tong Zhao, Yihan Wang, Li Zhang, Liang Zou, Yuantao Zhang
       
 
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