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“The Effect Of Nb Additive On Te-induced Stress Corrosion Cracking In Ni Alloy: A First-principles Calculation” Metadata:

  • Title: ➤  The Effect Of Nb Additive On Te-induced Stress Corrosion Cracking In Ni Alloy: A First-principles Calculation
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  • Internet Archive ID: ChinaXiv-202306.00447V1

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<div class="hd"> <h1> The effect of Nb additive on Te-induced stress corrosion cracking in Ni alloy: a first-principles calculation </h1> <div class="flex" style="border:0px;padding-bottom:0px;"> </div> <div class="bd" style="border-bottom:1px solid #ced6e0;"> <ul style="margin-top:0px;"> <li> <b> 作者： </b> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=LIU%20Wen-Guan" style="color:#3060cc;" rel="nofollow"> LIU Wen-Guan </a> <sup style="margin-left:0px;"> 1,2 </sup> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=HAN%20Han" style="color:#3060cc;" rel="nofollow"> HAN Han </a> <sup style="margin-left:0px;"> 1,2 </sup> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=REN%20Cui-Lan" style="color:#3060cc;" rel="nofollow"> REN Cui-Lan </a> <sup style="margin-left:0px;"> 1,3 </sup> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=YIN%20Hui-Qin" style="color:#3060cc;" rel="nofollow"> YIN Hui-Qin </a> <sup style="margin-left:0px;"> 1,2 </sup> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=HUAI%20Ping" style="color:#3060cc;" rel="nofollow"> HUAI Ping </a> <sup style="margin-left:0px;"> 1,2 </sup> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=ZOU%20Yang" style="color:#3060cc;" rel="nofollow"> ZOU Yang </a> <sup style="margin-left:0px;"> 1,2 </sup> <a href="https://chinaxiv.org/user/search.htm?field=author&amp;value=XU%20Hong-Jie" style="color:#3060cc;" rel="nofollow"> XU Hong-Jie </a> <sup style="margin-left:0px;"> 1,2 </sup> </li> <li> <b> 作者单位： </b> <div style="margin-left:70px;margin-top:-26px;"> <div> 1. <a href="https://chinaxiv.org/user/search.htm?field=affication&amp;value=Shanghai%20Institute%20of%20Applied%20Physics,%20Chinese%20Academy%20of%20Sciences,%20Shanghai%20201800,%20China" style="color:#3060cc;" rel="nofollow"> Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China </a> </div> <div> 2. <a href="https://chinaxiv.org/user/search.htm?field=affication&amp;value=Key%20Laboratory%20of%20Nuclear%20Radiation%20and%20Nuclear%20Energy%20Technology,%20Chinese%20Academy%20of%20Sciences,%20Shanghai%20201800,%20China" style="color:#3060cc;" rel="nofollow"> Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800, China </a> </div> <div> 3. <a href="https://chinaxiv.org/user/search.htm?field=affication&amp;value=Key%20Laboratory%20of%20Interfacial%20Physics%20and%20Technology,%20Chinese%20Academy%20of%20Sciences,%20Shanghai%20201800,%20China" style="color:#3060cc;" rel="nofollow"> Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800, China </a> </div> </div> </li> <li> <b> 提交时间： </b> 2023-06-18 </li> </ul> </div> <div class="bd" style="margin-top:15px;"> <p style="color:#333;"> <b> 摘要: </b> Nb can improve the resistance of Ni-based Hastelloy N alloy to Te-induced intergranular embrittlement. First-principles calculations are performed to research this mechanism by simulating the Ni(111) surface and the 5(012) grain boundary. The calculated adsorption energy suggests that Te atoms prefer diffusing along the grain boundary to forming the surface-reaction layer with Nb on surface of the Ni alloy. First-principles tensile tests show that the Nb segregation can enhance the cohesion of grain boundary. The strong Nb-Ni bonding can prevent the Te migration into the inside of the alloy. According to the Rice-Wang model, the strengthening/embrittling energies of Nb and Te are calculated, along with their mechanical and chemical components. The chemical bonds and electronic structures are analyzed to uncover the physical origin of the different effects of Te and Nb. Our work sheds lights on the effect of Nb additive on the Te-induced intergranular embrittlement in Hastelloy N alloy on the atomic and electronic level. </p> <div class="brdge"> <span class="spankwd"> <a href="https://chinaxiv.org/user/search.htm?field=keywords&amp;value=Nb" rel="nofollow"> Nb </a> </span> <span class="spankwd"> <a href="https://chinaxiv.org/user/search.htm?field=keywords&amp;value=Hastelloy%20N" rel="nofollow"> Hastelloy N </a> </span> <span class="spankwd"> <a href="https://chinaxiv.org/user/search.htm?field=keywords&amp;value=Te" rel="nofollow"> Te </a> </span> <span class="spankwd"> <a href="https://chinaxiv.org/user/search.htm?field=keywords&amp;value=First-principles%20calculations" rel="nofollow"> First-principles calculations </a> </span> <span class="spankwd"> <a href="https://chinaxiv.org/user/search.htm?field=keywords&amp;value=Stress%20corrosion%20cracking" rel="nofollow"> Stress corrosion cracking </a> </span> <span class="spankwd"> <a href="https://chinaxiv.org/user/search.htm?field=keywords&amp;value=Molten%20salt%20reactor" rel="nofollow"> Molten salt reactor </a> </span> </div> <ul> <li> <b> 期刊： </b> <a rel="nofollow"> Nuclear Science and Techniques </a> </li> <li> <b> 分类： </b> <a href="https://chinaxiv.org/user/search.htm?field=domain&amp;value=608" rel="nofollow"> 核科学技术 </a> &gt;&gt; <a href="https://chinaxiv.org/user/search.htm?field=subject&amp;value=615" rel="nofollow"> 裂变堆工程技术 </a> </li> <li> <b> 投稿状态： </b> <a rel="nofollow"> 已在期刊出版 </a> </li> <li> <b> 引用： </b> <a href="https://chinaxiv.org/abs/202306.00447" rel="nofollow"> <font color="#0000FF"> ChinaXiv:202306.00447 </font> </a> (或此版本 <a href="https://chinaxiv.org/abs/202306.00447v1" rel="nofollow"> <font color="#0000FF"> ChinaXiv:202306.00447V1 </font> </a> ) <br /> <a href="http://dx.doi.org/dx.doi.org/10.13538/j.1001-8042/nst.25.050603" style="color:#0000FF;margin-left:45px;" rel="nofollow"> <font color="#0000FF"> DOI:dx.doi.org/10.13538/j.1001-8042/nst.25.050603 </font> </a> <br /> <a href="https://www.cstr.cn/CSTR:32003.36.ChinaXiv.202306.00447.V1" style="margin-left:45px;" rel="nofollow"> <font color="#0000FF"> CSTR:32003.36.ChinaXiv.202306.00447.V1 </font> </a> </li> <li> <b> 推荐引用方式： </b> <span> LIU Wen-Guan,HAN Han,REN Cui-Lan,YIN Hui-Qin,HUAI Ping,ZOU Yang,XU Hong-Jie.(2023).The effect of Nb additive on Te-induced stress corrosion cracking in Ni alloy: a first-principles calculation.Nuclear Science and Techniques.doi:dx.doi.org/10.13538/j.1001-8042/nst.25.050603 </span> </li> </ul> </div> <div class="ft"> <h4> <span> 版本历史 </span> </h4> <table style="font-size:14px;"> <tr> <td> <b> [V1] </b> </td> <td> 2023-06-18 17:37:40 </td> <td> ChinaXiv:202306.00447V1 </td> <td> <a class="btn" href="https://chinaxiv.org/user/download.htm?id=54140" rel="nofollow"> 下载全文 </a> </td> </tr> </table> </div> </div>

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