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| 1 | W辐照损伤初期的分子动力学研究显示文摘运用分子动力学方法,探究bcc-W在中子辐照初期,由辐照诱发的缺陷形成和演化的微观过程的原子机制.选取初始碰撞原子(PKA)能量1.0~25.0 ke V,模拟温度范围100~900 K,研究W中位移级联产生的缺陷数量及分布,PKA方向和温度对稳定Frenkel pairs数的影响,缺陷团簇以及W的离位阈能.结果表明,若级联诱发的缺陷在峰值阶段呈近球形密集分布,稳定阶段Frenkel pairs数相对较少,若缺陷呈非球形相对分散分布,稳定阶段Frenkel pairs数相对较多;稳定Frenkel pairs数受PKA方向的影响不大,且随温度升高有下降趋势;比较而言,间隙原子团簇分数比空位团簇分数高,而空位团簇倾向于形成较大的团簇;W的平均离位阈能受温度影响较小,并具有一定的各向异性. | 姚曼 崔薇 王旭东 徐海譞 PHILLPOT S R | 2015 | 金属学报2015，51，6： | 3 |
| 2 | Energetics of charged point defects in rutile TiO2 by density functional theory显示文摘 | LI X FINNIS M W HE J BEHERA R K PHILLPOT S R SINNOTT S B DICKEY E C | 2009 | Acta Materialia2009，57，： | 1 |
| 3 | Dislocation processes in the deformation of nanocrystalline aluminium by molecular-dynamics simulation显示文摘 | YAMAKOV V WOLF D PHILLPOT S R | 2002 | Nature Materials2002，，1： | 1 |
| 4 | Mechanisms of grain growth in nanocrystalline fcc metals by molecu- lar-dynamics simulation显示文摘 | Haslam A J Phillpot S R Wolf D | 2001 | Materials Science and En- gineering A2001，318，2： | 1 |
| 5 | Solitons, polarons, and phonons in the infinite polyyne chain显示文摘 | Rice M J Phillpot S R Bishop A R | 1986 | Physical Review B1986，34，： | 1 |
| 6 | 声子频率对同位素掺杂硅声子散射的影响显示文摘点缺陷对声子的散射是影响电绝缘体热导率的重要机制之一,其中声子频率是影响声子散射的重要因素.本文主要研究声子频率对同位素掺杂硅声子散射的影响.首先产生一个窄频率范围的声子波包,然后使用分子动力学(MD)模拟声子在同位素掺杂硅中的散射过程,在原子尺度下清晰展示了声子对同位素掺杂的散射过程,并对能量的透射率和反射率进行分析.将模拟结果和已发表的理论结果相比较,在单个同位素掺杂缺陷下,在临近共振频率区域内用改进的Pohl公式成功的拟合了MD结果,这一结果会对在较宽频率包括非色散和色散声子范围内构造声子热传导公式有帮助.对于在较高的掺杂浓度下,声子频率对声子散射特性的影响还需要更进一步的研究. | 陈序良 周敏 姚曼 Phillpot S R | 2008 | 原子与分子物理学报2008，25，6： | 1 |
| 7 | Deformation mechanism crossover and mechanical behaviour in nanocrystalline materials显示文摘 | YAMAKOV V WOLF D PHILLPOT S R | 2003 | Phylosophical Magazine Letters2003，83，： | 1 |
| 8 | Mechanisms of heat flow in suspensions of nano-sized particles (nanofluids)显示文摘 | Keblinski P Phillpot S R Choi S U S | 2002 | International Journal of Heat and Mass Transfer2002，45，4： | 1 |
| 9 | Mechanism of heat flow in suspension'of nano-sized particles (nanofluids) 显示文摘 | Keblinski P Phillpot S R Choi S U S | 2002 | Int J Heat Mass Transf2002，45，4： | 1 |
| 10 | Computer simulation of the structure and thermo-elastic properties of a model nanocrystalline material 显示文摘 | Wang J Wolf D Phillpot S R | 1996 | Philosophical Magazine A1996，73，3： | 1 |
| 11 | Mechanisms of heat flow in suspensions ofnano-size particles(nanofluids)显示文摘 | Keblinski P Phillpot S R Choi S U S | 2002 | International Journal of Heat and Mass Transfer2002，45，4： | 1 |
| 12 | Comparison of atomic-level simulation methods for computing thermal conductivity显示文摘 | Patrick K S Phillpot S R Keblinski P | 2002 | Physical Review B2002，65，144306： | 1 |
| 13 | Mechanisms of heat flow in suspensions of nano-sized particles (nanofluids)显示文摘 | Keblinski P Phillpot S R Choi S U S | 2002 | International Journal of Heat and Transfer2002，45，4： | 1 |
| 14 | Mechanism of heat flow in suspension of nano-sized particles (nanofluids) 显示文摘 | KEBLINSKI P PHILLPOT S R CHOI S U S EASTMAN J A | 2002 | International Journal of Heat and Mass Transfer2002，45，： | 1 |
| 15 | On the mechanism of grain-boundary migration in metals: A molecular dynamics study 显示文摘 | Riekman J M Phillpot S R Wolf D et ul | 1991 | Journal of Materials Research1991，6，： | 1 |
| 16 | Thermal Barrier Coating Materials 显示文摘 | Clarke D R Phillpot S R | 2005 | Materials Today2005，8，6： | 1 |
| 17 | Comparison of atomic-level simulation methods for computing thermal conductivity显示文摘 | Schelling P K Phillpot S R Keblinski P | 2002 | Physical Review B2002，65，： | 1 |
| 18 | Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments显示文摘 | WOLF D YAMAKOV V PHILLPOT S R | 2005 | Acta Materialia2005，53，1： | 1 |
| 19 | Optimum Pyrochlore Compositions for Low Thermal Gonductivity显示文摘 | Schelling P K Phillpot S R Grimes R W | 2004 | Philosophical Magazine Letters2004，84，2： | 1 |
| 20 | Thermal conductance across grain boundaries in diamond from molecular dynamics simulation显示文摘 | Watanabe T Ni B Phillpot S R | 2007 | Journal of Applied Physics2007，102，06： | 1 |
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