机译:掺钛类金刚石碳膜应力减小机理的从头算分子动力学模拟
Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Zhejiang Key Lab Marine Mat & Protect Technol, Key Lab Marine Mat & Related Technol, Ningbo 315201, Zhejiang, Peoples R China;
Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Zhejiang Key Lab Marine Mat & Protect Technol, Key Lab Marine Mat & Related Technol, Ningbo 315201, Zhejiang, Peoples R China;
Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Zhejiang Key Lab Marine Mat & Protect Technol, Key Lab Marine Mat & Related Technol, Ningbo 315201, Zhejiang, Peoples R China;
Diamond-like carbon; Titanium doping; Compressive stress; Ab initio molecular dynamics;
机译:通过掺入Ti,Cr或W形成碳化物的金属来探索类金刚石碳膜的应力降低机理:从头算分子动力学模拟
机译:用分子动力学和量子化学计算研究氢和氟封端的类金刚石碳膜的减摩机理
机译:从头算计算降低掺杂铜的类金刚石碳膜的应力
机译:Si掺杂金刚石状碳表面水中堆学化学的AB Initio分子动力学模拟
机译:通过分子动力学模拟镍基衬底上金薄膜应力演化的原子学机制
机译:乙酰胆碱酯酶的催化反应机制决定由波恩 - 奥本海默从头Qm / mm分子动力学模拟
机译:从头算计算减少Cu掺杂类金刚石碳膜的应力