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浏览/检索结果: 共59条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Prediction of chemical short-range order in high-/medium-entropy alloys 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123 作者:  Cao, Pei-Yu;  Wang, Jing;  Jiang, Ping;  Wang, Yun-Jiang;  Yuan, Fu-Ping   |  收藏  |  浏览/下载：62/0  |  提交时间：2023/10/10 Short-range order  High-entropy alloy  Microstructure  First-principles calculation  Gibbs free energy  Local electronic density of states   Partition model for trace elements between liquid metal and silicate melts involving the interfacial transition structure: An exploratory two-phase first-principles molecular dynamics study 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 364, 页码: 14 作者:  Sun, Yiwei;  Qian, Guoyu;  Pang, Sheng;  Lu, Jijun;  Guo, Jianwei   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/02/24 Partition model of trace elements  Two-phase first-principles molecular   dynamics  Local coordination structure  Interfacial transition structure  Silicon slag refining   First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems 期刊论文  OAI收割 CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12 作者:  Liu, Mingfeng   |  收藏  |  浏览/下载：42/0  |  提交时间：2022/09/16 First-principles calculations  Variable-composition evolutionary structure search  Pd-Nb binary system  Intermetallics  Electronic structures  Elastic properties   Ground-0 Axioms vs. First Principles and Second Law: From the Geometry of Light and Logic of Photon to Mind-Light-Matter Unity-AI&QI 期刊论文  OAI收割 IEEE/CAA Journal of Automatica Sinica, 2021, 卷号: 8, 期号: 3, 页码: 534-553 作者:  Wen-Ran Zhang   |  收藏  |  浏览/下载：27/0  |  提交时间：2021/04/09 Analytical quantum computing  bipolar fuzzy sets  bipolar quantum agents  business intelligence  cognitive neuroscience  dynamic equilibrium  Einstein-Bohr debate  information conservational computing/cryptography  computational psychiatry, international relations  logically definable causality  quantum intelligence  quantum-neuro-fuzzy AI, human level AI&QI  quantum superposition/entanglement  white-box brain model   Developing micro-kinetic model for electrocatalytic reduction of carbon dioxide on copper electrode 期刊论文  OAI收割 JOURNAL OF CATALYSIS, 2021, 卷号: 393, 页码: 11-19 作者:  Xiang, Shi-Qin;  Gao, Shu-Ting   |  收藏  |  浏览/下载：21/0  |  提交时间：2021/05/17 CO2 reduction reaction  Reaction kinetics  Reaction mechanism  Product selectivity  Density functional theory   Quasi-Paired Pt Atomic Sites on Mo2C Promoting Selective Four-Electron Oxygen Reduction 期刊论文  OAI收割 ADVANCED SCIENCE, 2021, 卷号: 8, 期号: 18, 页码: 2101344 作者:  BSRF用户   |  收藏  |  浏览/下载：6/0  |  提交时间：2022/09/15 Ab initio thermodynamics studies on the phase stability of PtO2 under ambient and high-pressure conditions 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 180 作者:  Chen, Quan;  Yang, Yong   |  收藏  |  浏览/下载：19/0  |  提交时间：2020/11/26 Platinum dioxide  Ab initio thermodynamics  Phase stability  High pressure  Phase transformation   Vibrational Entropy Stabilizes Distorted Half-Heusler Structures 期刊论文  OAI收割 CHEMISTRY OF MATERIALS, 2020, 卷号: 32 作者:  Guo, Shuping;  Anand, Shashwat;  Zhang, Yongsheng;  Snyder, G. Jeffrey   |  收藏  |  浏览/下载：6/0  |  提交时间：2020/10/29 Thermodynamic description of the constitutive binaries of the NaCl-KCl-UCl3-PuCl3 system 期刊论文  OAI收割 CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2020, 卷号: 70, 页码: - 作者:  Yin, HQ;  Lin, J;  Hu, B;  Liu, WG;  Guo, XF   |  收藏  |  浏览/下载：39/0  |  提交时间：2021/09/06 NACL-KCL  PHASE-EQUILIBRIA  LIQUID-MIXTURES  SOLID-SOLUTIONS  DIAGRAM  ENTHALPIES  HALIDE  RB   Ab initio thermodynamic optimization of Ni-rich Ni-Co-Mn oxide cathode coatings 期刊论文  OAI收割 JOURNAL OF POWER SOURCES, 2020, 卷号: 450 作者:  Liu, Bo;  Liu, Jian;  Yang, Jiong;  Wang, Da;  Ye, Caichao   |  收藏  |  浏览/下载：39/0  |  提交时间：2020/12/16 IMPROVED ELECTROCHEMICAL PERFORMANCE  POSITIVE-ELECTRODE MATERIALS  ATOMIC LAYER DEPOSITION  LINI0.5CO0.2MN0.3O2 CATHODE  THERMAL-STABILITY  CYCLING PERFORMANCE  1ST PRINCIPLES  SIGNIFICANT IMPROVEMENT  PHOSPHO-OLIVINES  LITHIUM