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[会议论文] 作者:C.P.Liang,H.R.Gong, 来源:2012 International Symposium on Multi-scale Modeling and Sim 年份:2012
[会议论文] 作者:JiWeiWang;H.R.Gong;, 来源:第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con 年份:2014
  During the past decades, the interaction between hydrogen (H) and gamma TiAl phase has induced considerable interests among researchers [1-5].The present st...
[会议论文] 作者:Q.Q.Ren,H.R.Gong, 来源:第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con 年份:2013
The ground state of stoichiometric B2 FeAI has been controversial for decades in the literature,and the present first principles calculation is dedicated to have a systematic study of B2 FeAI with non...
[会议论文] 作者:D.Y.Dang;J.L.Fan;H.R.Gong;, 来源:第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con 年份:2014
  The temperature-dependent thermodynamic and mechanical properties of TiC are systematically investigated by means of a combination of density-functional the...
[会议论文] 作者:CaiWei;F.T.Kong;H.R.Gong;, 来源:第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con 年份:2013
  First-principles calculation reveals that PdCuHx phases are energetically more favorable with lower heats of formation than corresponding PdHx when O≤x0.10...
[会议论文] 作者:Q.Q.Ren;J.L.Fan;P.F.Li;Y.Han;H.R.Gong;, 来源:第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con 年份:2014
  The Fe-W system is systematically investigated through a combined use of first-principles calculation, cluster expansion, special quasirandom structures, an...
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