Molecular Dynamics Simulations of Polymer Grouting Material: Its Mechanical Behavior under Uniaxial Tension, Cyclic Tensile Loading, and Stress Relaxation

<div>Probability fractions of values of different bond angles of the 100-chain coarse-grained PU at <svg height="9.14241pt" id="M92" style="vertical-align:-3.1815pt" version="1.1" viewbox="-0.0498162 -5.96091 11.513 9.14241" width="11.513pt" 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="M387 375C387 402 357 448 257 448C172 448 82 404 82 326C82 289 108 255 156 241V239C85 223 23 181 23 116C23 39 89 -12 182 -12C265 -12 336 31 378 91L361 114C320 73 269 47 216 47C157 47 115 82 115 137C115 191 160 219 218 219C243 219 262 218 272 217L304 259L302 266C295 265 281 264 255 264C195 264 163 294 163 335C163 377 200 416 249 416C293 416 321 389 329 342C331 332 335 329 341 329C355 329 387 352 387 375Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,5.005,3.132)"><path d="M655 676H628C608 656 600 650 571 650H156C118 650 114 651 102 676H77C63 615 45 548 24 485L60 486C81 531 97 562 114 580C134 603 148 611 252 611H308L217 127C201 41 196 38 105 32L98 0H384L393 32C300 38 288 41 304 127L393 611H466C553 611 571 604 582 580C592 559 597 530 595 485L630 489C636 548 645 624 655 676Z"></path></g></svg> of 0.60. Over 90% of the bond angles were smaller than the equilibrium bond angles (<span class="nowrap"><svg height="12.5794pt" id="M93" style="vertical-align:-3.29107pt" version="1.1" viewbox="-0.0498162 -9.28833 11.2181 12.5794" width="11.2181pt" 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="M475 507C475 612 440 712 326 712C139 712 23 420 23 215C23 96 58 -12 180 -12C369 -12 475 293 475 507ZM391 522C391 486 387 448 379 394H126C155 538 222 677 310 677C386 677 391 571 391 522ZM373 346C344 193 283 22 189 22C126 22 106 114 106 196C106 243 111 293 118 346H373Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,6.149,3.132)"><path d="M245 635C92 635 37 457 37 312C37 149 91 -12 244 -12C395 -12 449 166 449 312C449 469 395 635 245 635ZM243 598C332 598 358 454 358 312C358 173 334 26 245 26C158 26 128 174 128 313S152 598 243 598Z"></path></g></svg>).</span></div>

Geofluids

fig7

Figure 7

Figure 7: Molecular Dynamics Simulations of Polymer Grouting Material: Its Mechanical Behavior under Uniaxial Tension, Cyclic Tensile Loading, and Stress Relaxation 

Figure 7 | Molecular Dynamics Simulations of Polymer Grouting Material: Its Mechanical Behavior under Uniaxial Tension, Cyclic Tensile Loading, and Stress Relaxation 