CAJ | 학술논문

基于高能量短脉冲激光作用水分子实验的复杂性，需用采取一种比较准确且较为方便的方法来预测实验结果是必要的．本文采用分子动力学方法（ Molecular Dynamics ）对高能量密度短脉冲激光加载下的超临界水分子进行热力学分析及结构研究．结果表明，随着能量快速加入加载区域，水分子系统的温度迅速提高．同时，由于分子迅速向四周扩散，在加载区域产生空泡．其中，只有25．5％的能量用以提高水分子系统的动能（温度），其余的能量都用于增大水分子系统的势能（水分子间距）．伴随着温度的提高，水分子热运动加快，有序程度逐渐减弱，O—H间距增加，水分子间的氢键作用减弱，分子极性降低．分子动力学模拟方法研究短脉冲高能量激光对水分子的作用，对水下激光微加工研究有一定指导意义．
기우고능량단맥충격광작용수분자실험적복잡성，수용채취일충비교준학차교위방편적방법래예측실험결과시필요적．본문채용분자동역학방법（ Molecular Dynamics ）대고능량밀도단맥충격광가재하적초림계수분자진행열역학분석급결구연구．결과표명，수착능량쾌속가입가재구역，수분자계통적온도신속제고．동시，유우분자신속향사주확산，재가재구역산생공포．기중，지유25．5％적능량용이제고수분자계통적동능（온도），기여적능량도용우증대수분자계통적세능（수분자간거）．반수착온도적제고，수분자열운동가쾌，유서정도축점감약，O—H간거증가，수분자간적경건작용감약，분자겁성강저．분자동역학모의방법연구단맥충고능량격광대수분자적작용，대수하격광미가공연구유일정지도의의．
Due to the complexity of the experiments for water heated by short pulse and high energy density la -ser , an accurate and simple method is needed to predict the result .Molecular Dynamics is applied to the thermo-dynamic analysis and structure research of water heated by short pulse and high energy density laser .As a result , the temperature of water system increases rapidly with energy added in .Meanwhile , bubbles generate due to the quick diffusion of water .Only 25.5 percent of the energy is used to increase the kinetic energy of water , the rest improves the potential energy .With the increasing of temperature , the thermal motion of water increases , the or-der degree of water reduces continue continuously , the distance of bonding O—H increases, the hydrogen-bond of water weakens and the molecular polarity reduces .