 Subjects -> SCIENCES: COMPREHENSIVE WORKS (Total: 374 journals)
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- First‐Principles Study of 3d Transition Metal Atoms Doped Ni13 Cluster
as Efficient Electrocatalyst for Nitrogen Reduction Reaction-
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Authors:
Wei Song; Menghui Xi,
Yongliang Guo,
Chaozheng He,
Ling Fu
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202100353
Issue No: Vol. 4, No. 12 (2021)
- Novel C3B/SiC2 Heterobilayer: Electro‐Optical Properties Induced by
Different Interlayer Coupling-
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Authors:
Huabing Shu
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202100275
Issue No: Vol. 4, No. 12 (2021)
- Parameter Estimation of Fuel Cell Using Chaotic Mayflies Optimization
Algorithm-
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Authors:
Jyoti Gupta; Parag Nijhawan,
Souvik Ganguli
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202100183
Issue No: Vol. 4, No. 12 (2021)
- A Localized Planarization Strategy in Hole Mobility Modulation of
Disordered Triphenylamine‐Based Organic Semiconductors-
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Authors:
Zewei Zhang; Yanan Zhu,
Yuting Wu,
Chongguang Zhao,
Hong Meng
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202100236
Issue No: Vol. 4, No. 12 (2021)
- Improving the Sensitivity of SPR Sensors with Au–Ag alloys and 2D
Materials — a Simulation‐Based Approach-
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Authors:
Chandreyee Manas Das; Yan Guo,
Lixing Kang,
Daniel Puiu Poenar,
Jiaqing Xiong,
Yogambha Ramaswamy,
David Martinez‐Martin,
Ken‐Tye Yong
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202100292
Issue No: Vol. 4, No. 12 (2021)
- Masthead (Adv. Theory Simul. 12/2021)
-
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Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202170031
Issue No: Vol. 4, No. 12 (2021)
- A Novel Neural Network Cell Method for Solving Nonlinear Electromagnetic
Problems (Adv. Theory Simul. 12/2021)-
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Authors:
Gaojia Zhu; Longnv Li,
Weinong Fu,
Ming Xue,
Tao Liu,
Jianguo Zhu
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202170030
Issue No: Vol. 4, No. 12 (2021)
- A Precisely‐Controlled Multichannel Phononic Crystal Resonant Cavity
(Adv. Theory Simul. 12/2021)-
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Authors:
Xiaopeng Zhang; Zhiyuan Jia,
Yangjun Luo,
Yaguang Wang,
Pai Liu,
Zhan Kang
Abstract: Advanced Theory and Simulations, Volume 4, Issue 12, December 2021.
PubDate: 2021-12-07T04:54:51-08:00
DOI: 10.1002/adts.202170029
Issue No: Vol. 4, No. 12 (2021)
- Nematic Ordering of Anisotropic Nanoparticles in Block Copolymers
-
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Authors:
Javier Diaz; Marco Pinna,
Andrei V. Zvelindovsky,
Ignacio Pagonabarraga
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-08T04:42:21-08:00
DOI: 10.1002/adts.202100433
- Inverse Design of Nanoparticles Using Multi‐Target Machine Learning
-
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Authors:
Sichao Li; Amanda S. Barnard
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T06:05:06-08:00
DOI: 10.1002/adts.202100414
- Innovation Quinary and n‐Value toward Fuzzy Logic QCA Cell Design
-
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Authors:
Reza Akbari‐Hasanjani; Reza Sabbaghi‐Nadooshan
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T06:04:12-08:00
DOI: 10.1002/adts.202100304
- Ultrafast Ferroelectric Domain Switching Induced by Nano‐Second
Strain‐Pulse-
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Authors:
Xiaoming Shi; Jing Wang,
Xingwang Cheng,
Houbing Huang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T06:03:52-08:00
DOI: 10.1002/adts.202100345
- Exploiting Petri Nets for Graphical Modelling of Electromagnetic Pulse
Switching Operations-
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Authors:
Alessandro Ventisei; Alex Yakovlev,
Victor Pacheco‐Peña
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T06:03:21-08:00
DOI: 10.1002/adts.202100429
- Kinetic Separation of n‐Hexane from 2,2‐Dimethyl Butane in Zeolite Y
Using the Novel Levi–Blow Method-
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Authors:
Shubhadeep Nag; Subramanian Yashonath
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T06:02:06-08:00
DOI: 10.1002/adts.202100204
- Classification and Inverse Design of Metasurface Absorber in Visible Band
-
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Authors:
Xuehua Lu; Wenbin Li,
Zhihui Zhu,
Yongqiang Hu,
Ziyi Tang,
Wenpeng Zhang,
Ke Liu,
Yarong Su,
Jie Zheng,
Weidong Chen,
Mingjun Tang,
Zhengwei Xie,
Yijia Huang,
Ling Li
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T05:41:26-08:00
DOI: 10.1002/adts.202100338
- Impacts of Export Restrictions on the Global Personal Protective Equipment
Trade Network During COVID‐19-
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Authors:
Yang Ye; Qingpeng Zhang,
Zhidong Cao,
Frank Youhua Chen,
Houmin Yan,
H. Eugene Stanley,
Daniel Dajun Zeng
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T05:41:08-08:00
DOI: 10.1002/adts.202100352
- Enhanced Terahertz Spectral‐Fingerprint Detection of α‐Lactose Using
Sub‐Micrometer‐Gap On‐Chip Waveguides-
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Authors:
Sae June Park; Rowan S. Parker‐Jervis,
John E. Cunningham
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T05:41:07-08:00
DOI: 10.1002/adts.202100428
- Four‐Channel Kaleidoscopic Metasurfaces Enabled by a Single‐Layered
Single‐Cell Quad‐Band Meta‐Atom-
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Authors:
Rensheng Xie; Xin Fang,
Dajun Zhang,
Xiong Wang,
Ke Chen,
Sensong An,
Bowen Zheng,
Hualiang Zhang,
Yijun Feng,
Jun Ding
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-07T05:35:11-08:00
DOI: 10.1002/adts.202100301
- The Potential of Phosphorus Nitride Monolayer for Li–S Battery from the
Anchoring and Diffusing Perspective: A First‐Principles Study-
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Authors:
Xinyi Zheng; Shiru Lin,
Dalin Kong,
Yadong Wei,
Kaijuan Pang,
RuiQi Ku,
Ngeywo Tolbert Kaner,
Xiaodong Xu,
Ming Sha,
Jinhong Liu,
Hongxi Huang,
Jianqun Yang,
HongYan Shi,
Xingji Li,
Weiqi Li
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-06T10:46:54-08:00
DOI: 10.1002/adts.202100305
- Modified Embedded‐Atom Method Potentials for the Plasticity and Fracture
Behaviors of Unary HCP Metals-
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Authors:
Shuai Chen; Zachary H. Aitken,
Viacheslav Sorkin,
Zhi Gen Yu,
Zhaoxuan Wu,
Yong‐Wei Zhang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-12-01T12:46:59-08:00
DOI: 10.1002/adts.202100377
- Efficient Calculation of the Lattice Thermal Conductivity by Atomistic
Simulations with Ab Initio Accuracy-
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Authors:
Joakim Brorsson; Arsalan Hashemi,
Zheyong Fan,
Erik Fransson,
Fredrik Eriksson,
Tapio Ala‐Nissila,
Arkady V. Krasheninnikov,
Hannu‐Pekka Komsa,
Paul Erhart
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-27T02:57:38-08:00
DOI: 10.1002/adts.202100217
- Abnormal Electromechanical Property of Nonlinearly Graded Lead‐Free
Ferroelectric Thin Films-
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Authors:
Le Van Lich; Tinh Quoc Bui,
Takahiro Shimada,
Takayuki Kitamura,
Hue Dang Thi Hong,
Trong‐Giang Nguyen,
Van‐Hai Dinh
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-26T01:20:52-08:00
DOI: 10.1002/adts.202100370
- Efficient Helium and Helium Isotopes Separation by Phosphorus Carbide P2C3
Membrane-
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Authors:
Min Li; Lu Wang,
Huixia Lei,
Yanmei Yang,
Yong‐Qiang Li,
Mingwen Zhao,
Jing Guan,
Weifeng Li,
Yuanyuan Qu
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T12:51:04-08:00
DOI: 10.1002/adts.202100327
- Modification of the Magnetic and Electronic Properties of the
Graphene‐Ni(111) Interface via Halogens Intercalation-
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Authors:
Yong Zhou; Roman Ovcharenko,
Beate Paulus,
Yuriy Dedkov,
Elena Voloshina
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T12:51:02-08:00
DOI: 10.1002/adts.202100319
- Activating Inert MXenes for Hydrogen Evolution Reaction via Anchored Metal
Centers-
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Authors:
Hassan A. Tahini; Xin Tan,
Sean C. Smith
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T12:49:41-08:00
DOI: 10.1002/adts.202100383
- Catalytic Ability Comparison of Five Transition Metal Clusters (Zn, Cu,
Fe, Ni, and Ru) for Heat‐Induced Graphene Etching by Ab Initio Molecular
Dynamics Simulations-
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Authors:
Jie Bie; Jinlan Wang,
Shuang Chen,
Wei Fa
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T11:36:10-08:00
DOI: 10.1002/adts.202100380
- When Do We Need Massive Computations to Perform Detailed COVID‐19
Simulations'-
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Authors:
Christopher B. Lutz; Philippe J. Giabbanelli
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T09:49:46-08:00
DOI: 10.1002/adts.202100343
- Device Simulation of Ag2SrSnS4 and Ag2SrSnSe4 Based Thin‐Film Solar
Cells from Scratch-
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Authors:
Ashutosh Srivastava; Susanta Kumar Tripathy,
Trupti Ranjan Lenka,
Pavol Hvizdos,
P. Susthitha Menon,
Fen Lin,
Armin Gerhard Aberle
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T09:48:57-08:00
DOI: 10.1002/adts.202100208
- Computational Search to Find Efficient Red/Near‐Infrared Emitting
Organic Molecules Based on Thermally Activated Delayed Fluorescence for
Organic Light‐Emitting Diodes-
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Authors:
Parvin Eskandarian; Hamidreza Fallah,
Morteza Hajimahmoodzadeh,
Hossein Zabolian
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-23T09:48:44-08:00
DOI: 10.1002/adts.202100416
- Efficient Method to Catch Adsorption Behavior: Understanding the Effect of
Sodium Ions on Benzene/Thiophene Adsorption in Na‐FAU-
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Authors:
Xinming Zhou; Li Su,
Fang Si,
Yajun Wang,
Tianhao Zhang,
Youhe Wang,
Chaohe Yang,
Hui Fu
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-21T09:46:35-08:00
DOI: 10.1002/adts.202100368
- Membrane Fouling: Microscopic Insights into the Effects of Surface
Chemistry and Roughness-
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Authors:
Mao Wang; John Wang,
Jianwen Jiang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-20T12:32:21-08:00
DOI: 10.1002/adts.202100395
- Benchmarking the Computational Costs and Quality of Vibrational Spectra
from Ab Initio Simulations-
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Authors:
Shima Taherivardanjani; Roman Elfgen,
Werner Reckien,
Estela Suarez,
Eva Perlt,
Barbara Kirchner
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-20T01:09:52-08:00
DOI: 10.1002/adts.202100293
- A Thermostat‐Consistent Fully Coupled Molecular Dynamics–Generalized
Fluctuating Hydrodynamics Model for Non‐Equilibrium Flows-
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Authors:
Xinjian Liu; Ivan Korotkin,
Zhonghao Rao,
Sergey Karabasov
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-20T01:08:30-08:00
DOI: 10.1002/adts.202100360
- Understanding the CO2/CH4/N2 Separation Performance of Nanoporous
Amorphous N‐Doped Carbon Combined Hybrid Monte Carlo with Machine
Learning-
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Authors:
Boran Li; Song Wang,
Ziqi Tian,
Ge Yao,
Hui Li,
Liang Chen
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-19T01:04:41-08:00
DOI: 10.1002/adts.202100378
- Density Functional Theory for Polymer Phase Separations Induced by
Coupling of Chemical Reaction and Elastic Stress-
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Authors:
Yutaka Oya; Gota Kikugawa,
Tomonaga Okabe,
Toshihiro Kawakatsu
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-18T11:56:10-08:00
DOI: 10.1002/adts.202100385
- On the relation between Pressure and Coupling Potential in Adaptive
Resolution Simulations of Open Systems in contact with a Reservoir-
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Authors:
Abbas Gholami; Rupert Klein,
Luigi Delle Site
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-18T11:55:13-08:00
DOI: 10.1002/adts.202100212
- Controlling Chemical Waves by Transforming Transient Mass Transfer
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Authors:
Zeren Zhang; Liujun Xu,
Jiping Huang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-18T11:27:06-08:00
DOI: 10.1002/adts.202100375
- Mie Sensing with Neural Networks: Recognition of Nano‐Object Parameters,
the Invisibility Point, and Restricted Models-
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Authors:
Artur Movsesyan; Lucas V. Besteiro,
Zhiming Wang,
Alexander O. Govorov
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-18T11:20:00-08:00
DOI: 10.1002/adts.202100369
- A Hybrid Grid‐Based Finite‐Element Approach For 3D Steel
Casing Forward Modeling-
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Authors:
Nian Yu; Lei Gao,
Ruiheng Li,
Xialan Wu,
Enci Wang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-18T11:19:52-08:00
DOI: 10.1002/adts.202100398
- Polaron in TiO2 from First‐Principles: A Review
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Authors:
Jeffrey Roshan De Lile; Ashkan Bahadoran,
Su Zhou,
Jiujun Zhang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-11T05:05:42-08:00
DOI: 10.1002/adts.202100244
- Temporal Analysis of Photo‐Thermally Induced Reconfigurability in a 1D
Gold Grating Filled with a Phase Change Material-
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Authors:
Naser Zamani; Ali Hatef,
Hamid Nadgaran
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-10T10:06:00-08:00
DOI: 10.1002/adts.202100240
- Exotic Spintronic Properties of Transition‐Metal Monolayers on
Graphyne-
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Authors:
Xiaoxiong Ren; Junsheng Huang,
Ping Li,
Yun Zhang,
Zhi‐Xin Guo
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-11-09T10:21:12-08:00
DOI: 10.1002/adts.202100287
- Air Quality Index Prediction Based on an Adaptive Dynamic Particle Swarm
Optimized Bidirectional Gated Recurrent Neural Network–China Region-
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Authors:
Ping Li; Shengwei Wang,
Hao Ji,
Yulin Zhan,
Honghong Li
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-28T09:52:53-07:00
DOI: 10.1002/adts.202100220
- Electric Load Forecasting based on Wavelet Transform and Random Forest
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Authors:
Li‐Ling Peng; Guo‐Feng Fan,
Meng Yu,
Yu‐Chen Chang,
Wei‐Chiang Hong
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-27T09:37:58-07:00
DOI: 10.1002/adts.202100334
- Structural Evolution and Electronic Properties of Intermediate Sized Tin
(n=33--60) Clusters-
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Authors:
Peter L. Rodríguez‐Kessler; Adán R. Rodríguez‐Domínguez,
Alvaro Muñoz‐Castro
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-25T06:36:15-07:00
DOI: 10.1002/adts.202100283
- An Intelligent Tunicate Swarm Algorithm Based MPPT Control Strategy for
Multiple Configurations of PV Systems Under Partial Shading Conditions-
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Authors:
Majad Mansoor; Adeel Feroz Mirza,
Fei Long,
Qiang Ling
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-25T06:27:50-07:00
DOI: 10.1002/adts.202100246
- Model‐Based Investigation of Trap‐Assisted Recombination in
Photoelectrodes for Water Splitting-
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Authors:
Peter Cendula; Anmol Sancheti,
Pavel Simon
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-22T04:10:47-07:00
DOI: 10.1002/adts.202100312
- Analytical Model of the Piezoresistive Behavior of Highly Compressible
Sensors Made of Microporous Nanocomposites-
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Authors:
Jianpeng Zhang; Ziya Wang,
Zhengchun Peng
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-18T07:46:48-07:00
DOI: 10.1002/adts.202100247
- Simulating Facet‐Dependent Aggregation and Assembly of Mixtures of
Polyhedral Nanoparticles-
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Authors:
George Opletal; Amanda S. Barnard
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-17T10:52:49-07:00
DOI: 10.1002/adts.202100279
- Parametric Analysis of Variable Stator Vane System in Gas Turbines Based
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Authors:
Xingyun Jia; Dengji Zhou,
Dawen Huang,
Wang Xiao,
Luyao Xu,
Jiarui Hao
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-17T10:25:51-07:00
DOI: 10.1002/adts.202100286
- 3D Porous Metallic Boron Carbide Crystal Structure with Excellent
Ductility-
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Authors:
Kashif Hussain; Imran Muhammad,
Wei Wu,
Yu Qie,
Tariq Mahmood,
Qiang Sun
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-17T10:24:51-07:00
DOI: 10.1002/adts.202100325
- Revival Oscillations in a Closed Bromate‐1,4‐Cyclohexanedione‐Acid
System with Ferroin-
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Authors:
Petteri Kettunen; Do Sung Huh,
István Szalai,
Tomohiko Yamaguchi
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-15T01:17:13-07:00
DOI: 10.1002/adts.202100277
- A Novel Neural Network Cell Method for Solving Nonlinear Electromagnetic
Problems-
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Authors:
Gaojia Zhu; Longnv Li,
Weinong Fu,
Ming Xue,
Tao Liu,
Jianguo Zhu
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-13T02:02:31-07:00
DOI: 10.1002/adts.202100216
- Magnetic Driven Double Curved Conical Microhelical Robot
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Authors:
Jieqiong Lin; Zhenyan Zhu,
Xian Jing,
Mingming Lu,
Yan Gu
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-13T02:02:06-07:00
DOI: 10.1002/adts.202100189
- A Precisely‐Controlled Multichannel Phononic Crystal Resonant Cavity
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Authors:
Xiaopeng Zhang; Zhiyuan Jia,
Yangjun Luo,
Yaguang Wang,
Pai Liu,
Zhan Kang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-10T10:43:04-07:00
DOI: 10.1002/adts.202100250
- Data Science Applied to Carbon Materials: Synthesis, Characterization, and
Applications-
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Authors:
Aaron Morelos‐Gomez; Mauricio Terrones,
Morinobu Endo
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-10-08T09:43:00-07:00
DOI: 10.1002/adts.202100205
- Perovskite La0.3Sr0.7Fe0.7Cr0.3O3−δ Catalysis Raises the Bar:
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Authors:
Vicky Fidelsky Kozokaro; Maytal Caspary Toroker
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-08-07T12:22:14-07:00
DOI: 10.1002/adts.202100173
- Quadrupole Last‐Passage Algorithm for Charge Density on an
L‐Shaped Conducting Surface-
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Authors:
Hoseung Jang; Jongmin Park,
Unjong Yu,
Chi‐Ok Hwang
Abstract: Advanced Theory and Simulations, EarlyView.
PubDate: 2021-08-07T12:20:36-07:00
DOI: 10.1002/adts.202100180
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