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Effects of size and shape of hole defects on mechanical properties of biphenylene: a molecular dynamics study 期刊论文
NANOTECHNOLOGY, 2024, 卷号: 35, 期号: 48, 页码: 10./通讯作者：Wu, Bin, Peng, Qing
作者:  Xiao, Shuoyang;  Hao JN(郝剑楠);  Shi, Tan;  Jin, Jianfeng;  Wu, Bin;  Peng Q(彭庆)
收藏  |  浏览/下载：48/0  |  提交时间：2024/10/14
biphenylene  two-dimensional (2D) material  molecular dynamics  mechanical properties  defects  
Assessment of Classical Force-Fields for Graphene Mechanics 期刊论文
CRYSTALS, 2024, 卷号: 14, 期号: 11, 页码: 14./通讯作者：Cai, Xintian, Peng, Qing
作者:  Ma ZW(马知未);  Tan,Yongkang;  Cai,Xintian;  Chen X(陈雪);  Shi,Tan;  Jin,Jianfeng;  Ouyang,Yifang;  Peng Q(彭庆)
收藏  |  浏览/下载：4/0  |  提交时间：2025/01/06
graphene  molecular dynamics  monolayer pre-cracked graphene  
A comparative first-principles study on the physical properties of Gd2Zr2O7 weberite and pyrochlore 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 245, 页码: 7./通讯作者：Liu, Chenguang, Gao, Fei, Li, Yuhong
作者:  Liu, Chenguang;  Gao, Rongrong;  Xia, Yue;  Xia, Xiaoyi;  Shi, Tan;  Peng Q(彭庆);  Gao, Fei;  Li, Yuhong
收藏  |  浏览/下载：19/0  |  提交时间：2024/10/08
Weberite  Pyrochlore  First principles calculations  Physical properties  
Description of Short-Range Interactions of Carbon-Based Materials with a Combined AIREBO and ZBL Potential 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 17, 页码: 15./通讯作者：Shi, Tan, Peng, Qing, Lu, Chenyang
作者:  Li, Jing;  Shi, Tan;  Sun, Yichao;  Cai, Xintian;  Gao, Rui;  Peng Q(彭庆);  Lu, Peng;  Lu, Chenyang
收藏  |  浏览/下载：68/0  |  提交时间：2024/10/14
ion irradiation  irradiation damage  carbon  graphene  molecular dynamics  
A Comparative Study on Force-Fields for Interstitial Diffusion in α-Zr and Zr Alloys 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 15, 页码: 14./通讯作者：Li, Yuanming, Peng, Qing
作者:  Li, Jing;  Shi, Tan;  Zhang, Chen;  Zhang, Ping;  Ibrahim, Shehu Adam;  Sun, Zhipeng;  Li, Yuanming;  Tang, Chuanbao;  Peng Q(彭庆);  Lu, Chenyang
收藏  |  浏览/下载：93/0  |  提交时间：2024/09/09
zirconium alloys  interstitial diffusion  radiation damage  interatomic potentials  molecular dynamics  
Electronic signal for mechanical failure in two-dimensional g-SiC 期刊论文
SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2024, 卷号: 39, 期号: 6, 页码: 5./通讯作者：Shi, Tan, Peng, Qing
作者:  Li, Jing;  Shi, Tan;  Lu, Chenyang;  Peng Q(彭庆)
收藏  |  浏览/下载：128/0  |  提交时间：2024/05/27
instability  mechanical properties  electronic properties  two-dimensional SiC  first-principles calculations  mechanical failure  
An investigation of self-interstitial diffusion in α-zirconium by an on-the-fly machine learning force field 期刊论文
AIP ADVANCES, 2024, 卷号: 14, 期号: 5, 页码: 7./通讯作者：Meng, Fanqiang, Tang, Chuanbao, Lu, Chenyang
作者:  Shi, Tan;  Liu, Wenlong;  Zhang, Chen;  Lyu, Sixin;  Sun, Zhipeng;  Peng Q(彭庆);  Li, Yuanming;  Meng, Fanqiang;  Tang, Chuanbao;  Lu, Chenyang
收藏  |  浏览/下载：133/0  |  提交时间：2024/06/17
Influence of magnetic properties on elemental vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9 high-entropy alloy 期刊论文
AIP ADVANCES, 2024, 卷号: 14, 期号: 4, 页码: 8./通讯作者：Shi, Tan, Lu, Chenyang
作者:  Ibrahim, Shehu Adam;  Shi, Tan;  Su, Zhengxiong;  Liu, Chenguang;  Peng Q(彭庆);  Lu, Chenyang
收藏  |  浏览/下载：35/0  |  提交时间：2024/06/11
Element-dependent evolution of chemical short-range ordering tendency of NiCoFeCrMn under irradiation 期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 171, 页码: 15./通讯作者：Shi, Tan, Peng, Qing, Lu, Chenyang
作者:  Zhou, Yundi;  Shi, Tan;  Li, Jing;  Wu, Lu;  Peng Q(彭庆);  Lu, Chenyang
Adobe PDF(8104Kb)  |  收藏  |  浏览/下载：216/25  |  提交时间：2024/01/01
High-entropy alloys  Short-range order  Molecular dynamics  Kinetic Monte Carlo  Irradiation damage  
Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb0.75ZrTiV0.5 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 146, 页码: 61-71./通讯作者：Xin, Y
作者:  Shi, Tan;  Qiu, Xi;  Zhou, Yundi;  Lyu, Sixin;  Li, Jing;  Sun, Dan;  Peng Q(彭庆);  Xin, Yong;  Lu, Chenyang
Adobe PDF(3586Kb)  |  收藏  |  浏览/下载：126/20  |  提交时间：2023/06/15
Refractory high-entropy alloys  Small vacancy clusters  First-principles calculations  Defect energetics  Radiation defect evolution