New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations

<div>The supercell used in the model calculations of the Σ5 (210) <svg height="11.439pt" id="M23" style="vertical-align:-2.15067pt" version="1.1" viewbox="-0.0498162 -9.28833 27.8935 11.439" width="27.8935pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M290 -163V-135C183 -126 181 -122 181 -44V583C181 662 184 666 290 675V703H120V-163H290Z" id="g113-92"></path></g><g transform="matrix(.013,0,0,-0.013,4.485,0)"><path d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z" id="g113-50"></path></g><g transform="matrix(.013,0,0,-0.013,10.725,0)"><path d="M241 635C89 635 35 457 35 312C35 153 89 -12 240 -12C390 -12 443 166 443 312C443 466 390 635 241 635ZM238 602C329 602 354 454 354 312C354 172 330 22 240 22C152 22 124 173 124 313S148 602 238 602Z" id="g113-49"></path></g><g transform="matrix(.013,0,0,-0.013,16.965,0)"><path d="M241 635C89 635 35 457 35 312C35 153 89 -12 240 -12C390 -12 443 166 443 312C443 466 390 635 241 635ZM238 602C329 602 354 454 354 312C354 172 330 22 240 22C152 22 124 173 124 313S148 602 238 602Z" id="g113-49"></path></g><g transform="matrix(.013,0,0,-0.013,23.205,0)"><path d="M226 -163V703H56V676C162 667 165 662 165 584V-43C165 -122 162 -126 56 -136V-163H226Z" id="g113-94"></path></g></svg> GB between bcc Cr grains. The yellow sphere indicates the substitutional site used for impurity segregation.</div>

Advances in Condensed Matter Physics

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Figure 1

Figure 1: New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations 