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浏览/检索结果: 共153条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序 First-principles modeling of passivation behaviors of stainless steels in corrosive environments 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 229, 页码: 58-66 作者:  Xu, Wenjing;  Bao, Ergen;  Si, Yueqi;  Ma, Hui;  Liu, Peitao   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Passivation  Modeling  First-principles calculation  Stainless steel   Machine Learning Model for Predicting the Critical Transition Temperature of Hydride Superconductors 期刊论文  OAI收割 ACTA METALLURGICA SINICA, 2024, 卷号: 60, 期号: 10, 页码: 1418-1428 作者:  Zhao, Jinbin;  Wang, Jiantao;  He, Dongchang;  Li, Junlin;  Sun, Yan   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 hydride superconductor  superconducting transition temperature  machine learning  random forest  first-principles calculation   Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study 期刊论文  OAI收割 PHYSICA B-CONDENSED MATTER, 2024, 卷号: 688, 页码: 9 作者:  Yang, Tao;  Yu, Wei-Yuan;  Xue, Hong-Tao;  Yang, Yan-Hong;  Tang, Fu-Ling   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Rare-earth Al alloys  Substitution formation energy  gamma-Al/gamma '-Al3Sc phase interfaces  Interfacial segregation  First-principles calculation   First-Principles Study of Projected Berry Phase and Hydrogen Evolution Catalysis in Pt7Sb 期刊论文  OAI收割 ACTA METALLURGICA SINICA, 2024, 卷号: 60, 期号: 6, 页码: 837-847 作者:  Zhou Yanyu;  Li Jiangxu;  Liu Chen;  Lai Junwen;  Gao Qiang   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 hydrogen evolution reaction  catalyst  projected Berry phase  first-principles calculation   Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong   |  收藏  |  浏览/下载：58/0  |  提交时间：2024/05/27 Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics   Unveiling the pitting corrosion mechanism of borated stainless steel in the wet storage environment of spent nuclear fuels 期刊论文  OAI收割 ACTA MATERIALIA, 2024, 卷号: 263, 页码: 20 作者:  Wang, Debin;  Cui, Jingping;  Ma, Aili;  Ji, Baoting;  Shi, Jian   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Stainless steel  Dual-phase  Corrosion  Passive film  First-principles calculation   Unveiling the pitting corrosion mechanism of borated stainless steel in the wet storage environment of spent nuclear fuels 期刊论文  OAI收割 ACTA MATERIALIA, 2024, 卷号: 263, 页码: 20 作者:  Wang, Debin;  Cui, Jingping;  Ma, Aili;  Ji, Baoting;  Shi, Jian   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Stainless steel  Dual-phase  Corrosion  Passive film  First-principles calculation   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：116/0  |  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   Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748 作者:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)   |  收藏  |  浏览/下载：53/0  |  提交时间：2024/02/05 Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation   Thermoelectric Properties of Mg3(Bi,Sb)2 under Finite Temperatures and Pressures: A First-Principles Study 期刊论文  OAI收割 NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17 作者:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Yuan XZ(袁晓泽);  Chen, XiaoJia   |  收藏  |  浏览/下载：76/0  |  提交时间：2024/02/19 thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-vSbv  MatCloud