Continuous Finite Element Methods of Molecular Dynamics Simulations

<div>4SS, computing <svg height="11.773pt" id="M215" style="vertical-align:-0.2454996pt" version="1.1" viewbox="-0.0498162 -11.5275 42.348 11.773" width="42.348pt" 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="M743 650H503L496 622L527 618C563 613 564 603 532 573C449 495 371 431 323 392C301 374 272 355 246 346L280 522C297 609 300 614 379 622L385 650H135L129 622C209 614 215 609 198 522L124 133C106 39 99 35 23 28L17 0H271L277 28C193 35 192 39 208 133L239 316C264 328 280 325 303 288C368 183 435 90 502 0H652L659 28C602 34 584 43 543 94C495 154 403 283 347 369L574 554C634 603 659 612 735 624L743 650Z" id="g113-76"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="755" vert-adv-y="755"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,13.449,0)"><path d="M535 323V373H52V323H535ZM535 138V188H52V138H535Z" id="g117-34"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="587" vert-adv-y="587"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,24.712,0)"><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="g121-47"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="480" vert-adv-y="480"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,30.952,0)"><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="g121-46"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="480" vert-adv-y="480"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,37.192,-5.741)"><path d="M253 635C142 635 71 555 71 471C71 400 113 353 178 316C143 295 107 268 91 252C70 231 46 202 46 157C46 50 132 -12 241 -12C329 -12 442 52 442 168C442 257 379 305 311 343C354 374 380 398 388 407C407 428 417 458 417 487C417 568 348 635 253 635ZM240 600C288 600 340 564 340 481C340 422 314 387 279 360C207 395 148 426 148 499C148 549 181 600 240 600ZM252 23C188 23 129 72 129 163C129 218 162 266 211 298C288 261 360 217 360 144C360 68 312 23 252 23Z" id="g58-54"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="487" vert-adv-y="487"></glyph.data></g></svg> step, the final 1000 nodes classical trajectories in phase space and corresponding energy error curve.</div>

Modelling and Simulation in Engineering

Continuous Finite Element Methods of Molecular Dynamics Simulations

Figure 13