IRadMat-TDS辐照缺陷簇热退火模拟软件

IRadMat-TDS是基于速率理论的氢滞留/脱附的团簇动力学自主Fortran程序。该程序能够给出不同辐照条件（如离子能量、注入通量和辐照温度）下，包含辐照诱导缺陷（团簇）及固有缺陷（晶界/位错）的钨体系中，不同种类的缺陷（团簇）随深度、尺寸的演化，以及H离子的滞留深度分布和总滞留量。同时，该程序通过恒定升温速率的高温退火模拟，可以定量地计算H的热脱附谱并严格标定不同谱峰对应的特征缺陷，从而探究钨中氢滞留和热脱附之间的本质联系，对于理解钨中氢滞留行为和机理具有重要的意义。

IRadMat-TDS is a standalone Fortran program for cluster dynamics of hydrogen retention and desorption based on rate theory. Under various irradiation conditions including ion energy, implantation flux and irradiation temperature, this program can yield the depth- and size-dependent evolution of diverse defects (clusters) in tungsten systems incorporating both radiation-induced defects (clusters) and intrinsic defects (grain boundaries/dislocations), alongside the depth distribution and total retention amount of hydrogen ions. Meanwhile, through high-temperature annealing simulations with a constant heating rate, this program can quantitatively calculate the thermal desorption spectroscopy (TDS) spectrum of hydrogen, rigorously calibrate the characteristic defects corresponding to each spectral peak, and thus explore the intrinsic connection between hydrogen retention and desorption in tungsten. This work is of great significance for understanding the behavior and mechanism of hydrogen retention in tungsten.