湖南文理学院学报（自然科学版）
湖南文理學院學報（自然科學版）
호남문이학원학보（자연과학판）
JOURNAL OF HUNAN UNIVERSITY OF ARTS AND SCIENCE(SCIENCE AND TECHNOLOGY)
2014年
2期
47-51
,共5页
氦团簇%扩散%形核%分子动力学模拟
氦糰簇%擴散%形覈%分子動力學模擬
양단족%확산%형핵%분자동역학모의
helium clusters%diffusion%nucleation%molecular dynamics simulation
本文应用分子动力学方法模拟研究了氦团簇在金属钨中的扩散特性，得到了不同大小团簇的扩散系数，结果表明氦团簇越大，扩散越慢.氦团簇越大越容易激发出自间隙钨原子，且大的氦团簇只需要很低的钨基体温度即可激发.在金属钨中加入125个氦原子(氦浓度低于0.1%)，研究了氦团簇的形核特性.通过比较氦团簇、自间隙团簇和空位团簇3种缺陷的尺寸分布发现，氦团簇的尺寸在800 K达到最大值，其它两种缺陷尺寸随温度的增加而逐渐增大.
本文應用分子動力學方法模擬研究瞭氦糰簇在金屬鎢中的擴散特性，得到瞭不同大小糰簇的擴散繫數，結果錶明氦糰簇越大，擴散越慢.氦糰簇越大越容易激髮齣自間隙鎢原子，且大的氦糰簇隻需要很低的鎢基體溫度即可激髮.在金屬鎢中加入125箇氦原子(氦濃度低于0.1%)，研究瞭氦糰簇的形覈特性.通過比較氦糰簇、自間隙糰簇和空位糰簇3種缺陷的呎吋分佈髮現，氦糰簇的呎吋在800 K達到最大值，其它兩種缺陷呎吋隨溫度的增加而逐漸增大.
본문응용분자동역학방법모의연구료양단족재금속오중적확산특성，득도료불동대소단족적확산계수，결과표명양단족월대，확산월만.양단족월대월용역격발출자간극오원자，차대적양단족지수요흔저적오기체온도즉가격발.재금속오중가입125개양원자(양농도저우0.1%)，연구료양단족적형핵특성.통과비교양단족、자간극단족화공위단족3충결함적척촌분포발현，양단족적척촌재800 K체도최대치，기타량충결함척촌수온도적증가이축점증대.
The diffusion and nucleation characteristics of helium clusters in tungsten were studied by molecular dynamics simulation. The diffusion coefficients of different sizes of helium clusters were obtained. The results showed that the bigger helium cluster is, the slower it migrates and the easier for it to kick out a self-interstitial tungsten atom. When the helium cluster is large enough, it can push a tungsten atom away from its lattice, even at a very low temperature. 125 helium atoms were planted into the tungsten host and then the nucleation mechanisms of helium clusters were studied with molecular dynamics simulation. It can be concluded that the size of helium clusters achieved its peak value at 800 K;however, the other two defect clusters (self-interstitial atoms and vacancy clusters) increase with the increase of temperature.
