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浏览/检索结果: 共287条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Pressure-Induced Re-Entrant Superconductivity in Transition Metal Dichalcogenide TiSe2 期刊论文  OAI收割 SMALL, 2024 作者:  Xia, Wei;  Wu, Jiaxuan;  Xia, Chengliang;  Li, Zhongyang;  Yuan, Jian   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/11/22 ab initio calculations  high pressure  re-entrant superconductivity  structural transition  transition metal dichalcogenide   STRUCTURAL AND ELASTIC PROPERTIES OF AgNi10 ALLOY STUDIED WITH AB-INITIO CALCULATIONS 期刊论文  OAI收割 MATERIALI IN TEHNOLOGIJE, 2022, 卷号: 56, 期号: 2, 页码: 149-157 作者:  Liu, Jide   |  收藏  |  浏览/下载：64/0  |  提交时间：2022/07/01 AgNi10 alloy  ab initio calculations  elastic anisotropy  thermodynamic properties   Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes 期刊论文  OAI收割 ACS NANO, 2021, 卷号: 15 作者:  Yang, Kaishuai;  Liu, Dayong;  Qian, Zhengfang;  Jiang, Dongting;  Wang, Renheng   |  收藏  |  浏览/下载：39/0  |  提交时间：2022/03/21 sodium-ion solid-state electrolytes  all-solid-state sodium batteries  computational auxiliary  ab initio calculations  molecular dynamics simulations  nanoscale insight  ion transport mechanisms  sodium-ion conductor   Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3 期刊论文  OAI收割 MATERIALS, 2021, 卷号: 14 作者:  Wang, Panpan;  Cao, Qilong;  You, Yuwei;  Kong, Xiangshan;  Wu, Xuebang   |  收藏  |  浏览/下载：56/0  |  提交时间：2022/01/10 ZrCo alloys  disproportionation reaction  fixing helium  ab initio calculations   Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys 期刊论文  OAI收割 JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154, 页码: 9 作者:  Xue, Hongtao;  Lei, Chao;  Tang, Fuling;  Li, Xiuyan;  Luo, Yaqiao   |  收藏  |  浏览/下载：56/0  |  提交时间：2021/10/15 Alloys  Ab initio calculations  Electronic structure  Thermodynamic properties  Mechanical properties   Iron, magnesium, and titanium isotopic fractionations between garnet, ilmenite, fayalite, biotite, and tourmaline: Results from NRIXS, ab initio, and study of mineral separates from the Moosilauke metapelite 期刊论文  OAI收割 GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 302, 页码: 18-45 作者:  Nie, Nicole X.;  Dauphas, Nicolas;  Alp, Esen E.;  Zeng, Hao;  Sio, Corliss K.   |  收藏  |  浏览/下载：41/0  |  提交时间：2021/10/19 Iron isotopes  Mg isotopes  Ti isotopes  Moosilauke Metapelite  NRIXS  Ab initio calculations   Neel-type skyrmions and their current-induced motion in van derWaals ferromagnet-based heterostructures 期刊论文  OAI收割 PHYSICAL REVIEW B, 2021, 卷号: 103, 期号: 10 作者:  Park, Tae-Eon;  Peng, Licong;  Liang, Jinghua;  Hallal, Ali;  Yasin, Fehmi Sami   |  收藏  |  浏览/下载：28/0  |  提交时间：2021/12/01 INITIO MOLECULAR-DYNAMICS  TOTAL-ENERGY CALCULATIONS  SPIN-ORBIT TORQUES  CRYSTAL  TRANSITION   Density Functional Theory Study of Influence of Oxide Thickness and Surface Alloying on Cl Migration within alpha-Al2O3 期刊论文  OAI收割 JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2021, 卷号: 168, 期号: 8 作者:  Liu, Min;  Jin, Ying;  Chen, Bao;  Leygraf, Christofer;  Wang, Liping   |  收藏  |  浏览/下载：17/0  |  提交时间：2021/12/01 TOTAL-ENERGY CALCULATIONS  SCANNING KELVIN PROBE  AB-INITIO  PITTING CORROSION  ELECTRONIC-STRUCTURE  COVERED ALUMINUM  CHLORIDE  FILM  BREAKDOWN  GROWTH   Density Functional Theory Study of Influence of Oxide Thickness and Surface Alloying on Cl Migration within alpha-Al2O3 期刊论文  OAI收割 JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2021, 卷号: 168, 期号: 8 作者:  Liu, Min;  Jin, Ying;  Chen, Bao;  Leygraf, Christofer;  Wang, Liping   |  收藏  |  浏览/下载：29/0  |  提交时间：2021/12/01 TOTAL-ENERGY CALCULATIONS  SCANNING KELVIN PROBE  AB-INITIO  PITTING CORROSION  ELECTRONIC-STRUCTURE  COVERED ALUMINUM  CHLORIDE  FILM  BREAKDOWN  GROWTH   First-Principles-Based Prediction of Electrochemical Oxidation and Corrosion of Copper under Multiple Environmental Factors 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 25, 页码: 14027-14038 作者:  Walters, Lauren N.;  Huang, Liang-Feng;  Rondinelli, James M.   |  收藏  |  浏览/下载：25/0  |  提交时间：2021/12/01 REVISED POURBAIX DIAGRAMS  PARTIAL MOLAL PROPERTIES  INITIO MOLECULAR-DYNAMICS  TOTAL-ENERGY CALCULATIONS  HYDROTHERMAL SYNTHESIS  HIGH-PRESSURES  THERMODYNAMIC PROPERTIES  AQUEOUS IONS  STANDARD  TEMPERATURES