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

<div>Transition element segregation energies to Σ5 (210) <svg height="11.439pt" id="M69" 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 (filled diamonds) and to (210) FS (filled circles), the GB strengthening energy <svg height="9.39034pt" id="M70" style="vertical-align:-3.42943pt" version="1.1" viewbox="-0.0498162 -5.96091 6.54569 9.39034" width="6.54569pt" 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="M471 401C471 442 455 448 440 448C421 448 389 439 366 424C314 390 233 331 165 242H163L187 345C193 372 197 393 197 409C197 435 189 448 174 448C146 448 80 408 23 349L40 327C64 351 97 373 107 373C115 373 118 366 111 337L29 -4L36 -12C56 -4 83 3 110 9C123 69 136 126 150 172C227 283 336 381 377 381C392 381 396 370 379 298L326 74C290 -77 273 -172 273 -197C273 -219 316 -261 346 -261L353 -246C348 -227 352 -174 374 -66L457 310C467 352 471 381 471 401Z" id="g113-229"></path></g></svg> (filled triangles) and partial cohesive energies <i>χ</i> (empty triangles) in bcc Cr. An experimental data point related to Mo free surface (FS) segregation in a Cr-rich Cr-Mo alloy from [<a href="/journals/acmp/2018/9383981/#B38">15</a>] is shown with a black circle.</div>

Advances in Condensed Matter Physics

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Figure 2

Figure 2: New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations 