Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling

<div>Time coupling and advancing mechanism in the current HAC method. In one coupling cycle, it includes four steps, that is, the CFD advancing, the <svg height="8.8423pt" id="M141" style="vertical-align:-0.2064009pt" version="1.1" viewbox="-0.0498162 -8.6359 37.7017 8.8423" width="37.7017pt" 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="M645 631C614 643 545 666 457 666C215 666 23 519 23 283C23 90 158 -16 337 -16C412 -16 489 2 522 10C543 39 590 127 606 167L580 181C519 89 459 18 348 18C201 18 122 136 122 287C122 464 244 632 435 632C544 632 602 595 608 472L639 475C643 526 645 581 645 631Z" id="g113-68"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="668" vert-adv-y="668"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,12.316,0)"><path d="M901 255C861 290 790 361 716 442L694 427L796 280H69V230H796L694 83L716 68C790 149 861 220 901 255Z" id="g117-148"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="954" vert-adv-y="954"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,28.35,0)"><path d="M686 28C612 35 607 44 591 112C563 234 541 360 519 489L489 666L457 658L147 121C100 40 89 36 24 28L17 0H240L250 28C168 34 159 41 190 101L262 237H482C495 180 503 137 510 91C517 47 514 35 441 28L433 0H677L686 28ZM475 280H285L429 541H431L475 280Z" id="g113-66"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="703" vert-adv-y="703"></glyph.data></g></svg> operation, the MD advancing, and the <svg height="8.8423pt" id="M142" style="vertical-align:-0.2064009pt" version="1.1" viewbox="-0.0498162 -8.6359 37.7017 8.8423" width="37.7017pt" 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="M686 28C612 35 607 44 591 112C563 234 541 360 519 489L489 666L457 658L147 121C100 40 89 36 24 28L17 0H240L250 28C168 34 159 41 190 101L262 237H482C495 180 503 137 510 91C517 47 514 35 441 28L433 0H677L686 28ZM475 280H285L429 541H431L475 280Z" id="g113-66"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="703" vert-adv-y="703"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,12.767,0)"><path d="M901 255C861 290 790 361 716 442L694 427L796 280H69V230H796L694 83L716 68C790 149 861 220 901 255Z" id="g117-148"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="954" vert-adv-y="954"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,28.801,0)"><path d="M645 631C614 643 545 666 457 666C215 666 23 519 23 283C23 90 158 -16 337 -16C412 -16 489 2 522 10C543 39 590 127 606 167L580 181C519 89 459 18 348 18C201 18 122 136 122 287C122 464 244 632 435 632C544 632 602 595 608 472L639 475C643 526 645 581 645 631Z" id="g113-68"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="668" vert-adv-y="668"></glyph.data></g></svg> operation.</div>

Advances in Materials Science and Engineering

fig6

Figure 6

Figure 6: Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling 