CAJ | 학술논문

温度对fcc铁中的氦行为具有重要的影响,编写了居于fcc晶格的面向对象动力学蒙特卡罗程序(Object Kinetic Monte Carlo),采用该程序结合分子动力学(MD)方法对fcc铁中的氦行为进行多尺度模拟,研究了温度对fcc铁中氦行为的影响,给出了不同温度退火过程中氦行为的原子细节.模拟结果表明引入一定量的非热平衡空位可以使模拟结果与文献实验结果有非常好的吻合;室温至1073 K,温度对氦行为影响可以分为四个阶段:第一阶段,298～473 K,正电子长寿命随退火温度增加略有减少,这主要由于非热平衡空位浓度降低;第二阶段,473～673 K,正电子长寿命随退火温度增加而增加,主要由于晶粒内平均氦泡尺寸增加;第三阶段,673～873 K,正电子长寿命随退火温度增加而迅速减少,主要是由于氦泡的平均尺寸减小和晶粒内的空位浓度降低;第四阶段,873～1073 K,正电子长寿命随退火温度增加而迅速增加,与晶粒内氦泡的平均尺寸变大,且空位浓度随温度的增加而指数增加有关.
온도대fcc철중적양행위구유중요적영향,편사료거우fcc정격적면향대상동역학몽특잡라정서(Object Kinetic Monte Carlo),채용해정서결합분자동역학(MD)방법대fcc철중적양행위진행다척도모의,연구료온도대fcc철중양행위적영향,급출료불동온도퇴화과정중양행위적원자세절.모의결과표명인입일정량적비열평형공위가이사모의결과여문헌실험결과유비상호적문합;실온지1073 K,온도대양행위영향가이분위사개계단:제일계단,298～473 K,정전자장수명수퇴화온도증가략유감소,저주요유우비열평형공위농도강저;제이계단,473～673 K,정전자장수명수퇴화온도증가이증가,주요유우정립내평균양포척촌증가;제삼계단,673～873 K,정전자장수명수퇴화온도증가이신속감소,주요시유우양포적평균척촌감소화정립내적공위농도강저;제사계단,873～1073 K,정전자장수명수퇴화온도증가이신속증가,여정립내양포적평균척촌변대,차공위농도수온도적증가이지수증가유관.
Temperature has inportamt influence on the behavior of helium in fcc steels.A OKMC(Object Kinetic Monte Carlo) code was wrote to simulate the behavior of helium in fcc Fe under different anneal temperatures,evolution of defects during anneal was proposed at atom level.The simulation results show that experiment results can be explained well by introducing some non-thermal equilibrium vacancy.The temperature influence on Helium behavior can be divided into four different stages:1）298～473 K; 2）473～673 K; 3）673～873 K; 4）873～1073 K.In the first stage:with the increase of temperature,the concentration of non-thermal equilibrium vacancy decrease;In the second stage:with the increase of temperature,the average size of He bubbles increase;In the third stage:with the increase of temperature,the average size of helium in grains and the concentration of non-thermal equilibrium vacancy both decrease rapidly;In the last stage:with the increase of temperature,the average size of helium in grains and the concentration of non-thermal equilibrium vacancy both increase.