Novel compounds of cerium binary alloys from high-throughput first-principles calculations

被引:0
|
作者
机构
[1] Sun, Xiaorui
[2] Lei, Yawei
[3] Zhou, Rulong
[4] Zhang, Bo
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] High-throughput first-principles search for new ferroelectrics
    Garrity, Kevin F.
    PHYSICAL REVIEW B, 2018, 97 (02)
  • [22] Software tools for high-throughput CALPHAD from first-principles data
    van de Walle, Axel
    Sun, Ruoshi
    Hong, Qi-Jun
    Kadkhodaei, Sara
    CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2017, 58 : 70 - 81
  • [23] Prediction of Novel SiCN Compounds: First-Principles Calculations
    Cui, Lin
    Wang, Qianqian
    Xu, Bo
    Yu, Dongli
    Liu, Zhongyuan
    Tian, Yongjun
    He, Julong
    JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (42): : 21943 - 21948
  • [24] Uncovering compounds with promising piezoresistive properties via high-throughput first-principles survey
    Ser, Cher Tian
    Tan, Teck Leong
    MATERIALS TODAY COMMUNICATIONS, 2023, 34
  • [25] The Verification of Thermoelectric Performance Obtained by High-Throughput Calculations: The Case of GeS2 Monolayer From First-Principles Calculations
    Wang, Xiaolian
    Feng, Wei
    Shen, Chen
    Sun, Zhehao
    Qi, Hangbo
    Yang, Mao
    Liu, Yonghui
    Wu, Yuchen
    Wu, Xiaoqiang
    FRONTIERS IN MATERIALS, 2021, 8
  • [26] The Verification of Thermoelectric Performance Obtained by High-Throughput Calculations: The Case of GeS2 Monolayer From First-Principles Calculations
    Wang, Xiaolian
    Feng, Wei
    Shen, Chen
    Sun, Zhehao
    Qi, Hangbo
    Yang, Mao
    Liu, Yonghui
    Wu, Yuchen
    Wu, Xiaoqiang
    Frontiers in Materials, 2021, 8
  • [27] Machine learning aided high-throughput first-principles calculations to predict the formation enthalpy of σ phase
    Su, Yue
    Wang, Jiong
    CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2023, 82
  • [28] Exploring the solution strengthening effect of 33 alloying elements in Pt-based alloys by high-throughput first-principles calculations
    Yu, Wei
    Chong, Xiaoyu
    Gan, Mengdi
    Wei, Yan
    Zhang, Aimin
    Wang, Yingwu
    Feng, Jing
    JOURNAL OF APPLIED PHYSICS, 2022, 131 (18)
  • [29] Novel high-pressure phases with superconductivity and superhardness in cerium nitrides predicted from first-principles calculations
    Li, Bin
    Bai, Yan
    Hou, Yu
    Hao, Xiaofeng
    Yang, Yeqian
    Liu, Shengli
    Cheng, Jie
    Shi, Zhixiang
    MATERIALS TODAY COMMUNICATIONS, 2023, 34
  • [30] Insight into the Influence of Alloying Elements on the Elastic Properties and Strengthening of Copper: A High-Throughput First-Principles Calculations
    Zhang, Jinhao
    Zhang, Youcheng
    Wang, Aiqin
    Liang, Tingting
    Mao, Zhiping
    Su, Bo
    Li, Haisheng
    Xie, Jingpei
    METALS, 2023, 13 (05)