Equilibrium and Nonequilibrium Properties of Bulk and Nanosize Clusters of Carbon.

• Ree F. H.

  Lawrence Livermore National Laboratory Livermore

• Glosli J.

  Lawrence Livermore National Laboratory Livermore

• Winter N.

  Lawrence Livermore National Laboratory Livermore

書誌事項

タイトル別名

• Equilibrium and Nonequilibrium Properti

抄録

The detonation behavior of carbon-rich high explosives is affected by a slow coagulation of carbon atoms by diffusion and their possible transformation from one chemical bonding type to another. We have examined the applicability of the Brenner potential at high pressure and high temperature by molecular dynamics simulations and the stability and barrier height between graphitic and diamond clusters as a function of cluster size by quantum chemical calculations. The diffusion kinetics of carbon clusters have been examined by including a time-dependent surface correction to the Gibbs free energy of these clusters.

収録刊行物

• 高圧力の科学と技術

  高圧力の科学と技術 7 900-902, 1998

  日本高圧力学会

キーワード

• carbon-rich explosives
• carbon coagulation
• cluster stability
• diffusion kinetics
• molecular orbital theory

詳細情報

• CRID: 1390001204382503680
• NII論文ID: 10002692262
• NII書誌ID: AN10452913
• DOI: 10.4131/jshpreview.7.900
• ISSN: 13481940
• ISSN: 0917639X
• NDL書誌ID: 4494094
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I4494094
• 本文言語コード: en
• データソース種別:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可