鎢晶界中氦和氫性質(zhì)的分子靜力學(xué)模擬
發(fā)布時(shí)間:2018-05-24 06:00
本文選題:氦 + 氫; 參考:《廣西大學(xué)學(xué)報(bào)(自然科學(xué)版)》2017年06期
【摘要】:國際熱核聚變實(shí)驗(yàn)堆(ITER)中的偏濾器部分受到大量氦、氫離子流轟擊,鎢因熔點(diǎn)高、高溫性能優(yōu)異而常被選作這一部件的護(hù)甲材料,但氦、氫傾向于在晶界等缺陷處聚集成團(tuán)簇,從而引起鎢表面起泡、腫脹等,致使材料性能下降,使用壽命下降。文中采用分子靜力學(xué)方法研究了氦和氫在鎢晶界附近的性質(zhì)。首先計(jì)算了25個(gè)繞100軸旋轉(zhuǎn)不同角度的對(duì)稱傾斜鎢晶界的晶界能,選取其中能量較低的∑5(310)和∑5(210)晶界為研究對(duì)象,計(jì)算了缺陷與晶界的相互作用。結(jié)果表明:在晶界附近,垂直于界面的方向上原子層間距明顯增大,晶界的膨脹畸變和面間滑移為缺陷提供了有利環(huán)境;晶界的影響區(qū)域?yàn)?姒,在這一范圍內(nèi)空位、間隙氦和間隙氫的形成能小于塊體中的;當(dāng)離晶界面距離大于4姒,可近似認(rèn)為是塊體。研究結(jié)果可為鎢中氦/氫泡生長和釋放相關(guān)的實(shí)驗(yàn)提供一定依據(jù)和指導(dǎo)。
[Abstract]:Part of the divertor in ITER is bombarded by a large amount of helium, hydrogen ion current, tungsten is often chosen as the armor material of this part because of its high melting point and excellent high temperature performance. However, helium and hydrogen tend to gather into clusters at defects such as grain boundaries. As a result, tungsten surface foaming, swelling and so on, resulting in a decline in material properties and service life. The properties of helium and hydrogen near tungsten grain boundaries have been studied by molecular statics. Firstly, the grain boundary energies of 25 symmetrical inclined tungsten boundaries with different angles rotating around the 100 axis are calculated. The lower energy 鈭,
本文編號(hào):1927948
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