Atomistic Study on Size Effects in Thermally Induced Martensitic Phase Transformation of NiTi

<div>Variation of different transformation temperatures of thin films, with respect to the normalized side length <svg height="12.584pt" id="M72" style="vertical-align:-3.29567pt" version="1.1" viewbox="-0.0498162 -9.28833 53.5451 12.584" width="53.5451pt" 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="M300 -147C201 -63 143 98 143 270S200 602 300 686L282 710C136 610 70 450 70 271V270C70 89 136 -72 282 -170L300 -147Z" id="g113-41"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,4.498,0)"><path d="M529 97L508 118C475 75 449 58 438 58C428 58 421 66 415 104C393 234 374 403 364 496C345 670 307 712 254 712C220 712 174 691 153 669L161 645C176 653 194 658 206 658C237 658 261 640 278 562C287 522 290 483 293 434C223 269 110 105 23 9L32 -12C59 -6 85 0 108 7C152 64 251 252 300 366C307 297 315 221 337 82C346 24 363 -12 393 -12C425 -12 475 13 529 97Z" id="g113-233"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="552" vert-adv-y="552"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,12.259,3.132)"><path d="M303 37L293 66C280 59 256 49 231 49S173 63 173 143V396H281C294 404 298 428 287 439H173V575L158 577L92 509V439H46L17 408L22 396H92V107C92 27 128 -12 192 -12C203 -12 218 -9 237 2L303 37Z" id="g58-114"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="312" vert-adv-y="312"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,15.153,3.132)"><path d="M56 439L27 407L32 396H103V106C103 41 96 35 31 30V0H271V29C191 37 184 40 184 110V396H293C304 404 309 428 303 439H184V473C183 558 195 604 207 623S234 653 261 653C293 653 322 635 341 616C350 607 360 606 370 614C381 622 386 631 389 638C394 652 393 664 384 675C366 696 339 708 303 710C263 705 225 686 190 655C137 608 121 561 114 538S103 487 103 456V439H56Z" id="g58-100"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="304" vert-adv-y="304"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,22.874,0)"><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,-0.013,34.137,0)"><path d="M352 391C352 416 319 448 267 448C236 448 173 423 147 400C107 364 96 332 96 304C96 248 143 210 193 181C241 153 258 124 258 100C258 72 232 38 184 38C151 38 107 66 81 108C77 114 64 116 55 111C34 99 23 84 23 65C23 29 81 -12 134 -12C220 -12 325 61 325 141C325 184 297 215 234 256C194 282 161 309 161 346C161 380 188 401 217 401C255 401 279 380 301 353C308 344 313 341 325 347C341 355 352 371 352 391Z" id="g113-116"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="375" vert-adv-y="375"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,39.012,0)"><path d="M368 703H309L44 -163H104L368 703Z" id="g113-48"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="412" vert-adv-y="412"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,44.373,0)"><path d="M324 430H196L233 583L223 592L145 529L120 430H54L29 396L31 388H111L56 126C33 15 54 -12 77 -12C137 -12 214 57 250 95L233 119C208 92 155 59 138 59C126 59 120 70 131 125L186 390L298 394L324 430Z" id="g113-117"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="341" vert-adv-y="341"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,48.807,0)"><path d="M275 270C275 450 212 609 64 710L45 686C145 604 203 442 203 270S147 -63 45 -147L64 -170C213 -68 275 89 275 270Z" id="g113-42"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g></svg> of the simulation cell for (a) martensite start <svg height="12.5794pt" id="M73" style="vertical-align:-3.29107pt" version="1.1" viewbox="-0.0498162 -9.28833 25.3734 12.5794" width="25.3734pt" 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="M300 -147C201 -63 143 98 143 270S200 602 300 686L282 710C136 610 70 450 70 271V270C70 89 136 -72 282 -170L300 -147Z" id="g113-41"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,4.498,0)"><path d="M962 650H795L470 145L347 650H176L170 622C268 613 275 606 244 503L190 322C150 188 132 126 118 91C102 50 80 33 18 28L12 0H245L251 28C175 35 170 48 174 93C177 128 191 180 220 284L292 542H294C331 392 383 150 409 4H432L774 555H776L714 137C700 40 694 34 612 28L606 0H868L874 28C793 34 784 37 797 137L849 533C859 612 863 616 956 622L962 650Z" id="g113-78"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="985" vert-adv-y="985"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,16.718,3.132)"><path d="M357 391C357 416 325 451 270 451C241 451 179 431 146 400C109 365 97 334 97 307C97 248 143 213 196 180C250 146 261 123 261 101C261 75 237 40 190 40C153 40 110 72 86 109C81 116 68 119 55 112C37 102 24 87 24 66C24 30 85 -12 137 -12C229 -12 331 62 331 140C331 189 304 218 236 260C197 284 164 309 164 346C164 381 194 400 220 400C259 400 282 380 304 350C310 342 321 339 330 344C347 353 357 372 357 391Z" id="g50-116"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="381" vert-adv-y="381"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,20.696,0)"><path d="M275 270C275 450 212 609 64 710L45 686C145 604 203 442 203 270S147 -63 45 -147L64 -170C213 -68 275 89 275 270Z" id="g113-42"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g></svg>, (b) maximum transformation rate <svg height="12.5794pt" id="M74" style="vertical-align:-3.29107pt" version="1.1" viewbox="-0.0498162 -9.28833 24.1833 12.5794" width="24.1833pt" 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="M300 -147C201 -63 143 98 143 270S200 602 300 686L282 710C136 610 70 450 70 271V270C70 89 136 -72 282 -170L300 -147Z" id="g113-41"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,4.498,0)"><path d="M620 675H597C578 656 570 650 541 650H144C112 650 104 653 94 675H72C59 618 42 552 23 493L53 491C71 534 88 564 105 585C124 608 144 615 238 615H290L197 121C182 40 174 34 88 28L82 0H361L367 28C275 34 266 38 281 121L374 615H441C522 615 543 608 553 583C562 560 566 531 565 493L597 494C603 551 612 629 620 675Z" id="g113-85"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="637" vert-adv-y="637"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,11.674,3.132)"><path d="M781 91L765 118C733 86 702 70 693 70C686 70 685 77 692 106L738 297C772 439 736 451 712 451S675 445 647 431C605 410 526 356 452 257H450L459 294C491 426 459 451 429 451C403 451 386 445 361 431C312 404 239 343 170 253H168L188 333C208 411 205 451 175 451C148 451 85 417 24 346L39 318C57 338 100 374 112 374C120 374 122 372 115 339C91 226 62 112 28 -6L37 -12C59 -4 87 3 114 6C125 68 142 127 154 168C184 227 316 383 372 383C397 383 396 366 381 289C362 192 338 92 312 -6L317 -12C339 -5 367 3 396 6L434 170C468 234 598 383 650 383C668 383 676 369 664 319L609 90C593 23 600 -12 629 -12C654 -12 722 23 781 91Z" id="g50-110"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="805" vert-adv-y="805"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,19.525,0)"><path d="M275 270C275 450 212 609 64 710L45 686C145 604 203 442 203 270S147 -63 45 -147L64 -170C213 -68 275 89 275 270Z" id="g113-42"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g></svg>, and (c) martensite finish <svg height="14.8173pt" id="M75" style="vertical-align:-5.52897pt" version="1.1" viewbox="-0.0498162 -9.28833 27.7757 14.8173" width="27.7757pt" 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="M300 -147C201 -63 143 98 143 270S200 602 300 686L282 710C136 610 70 450 70 271V270C70 89 136 -72 282 -170L300 -147Z" id="g113-41"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,4.498,0)"><path d="M962 650H795L470 145L347 650H176L170 622C268 613 275 606 244 503L190 322C150 188 132 126 118 91C102 50 80 33 18 28L12 0H245L251 28C175 35 170 48 174 93C177 128 191 180 220 284L292 542H294C331 392 383 150 409 4H432L774 555H776L714 137C700 40 694 34 612 28L606 0H868L874 28C793 34 784 37 797 137L849 533C859 612 863 616 956 622L962 650Z" id="g113-78"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="985" vert-adv-y="985"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,16.718,3.132)"><path d="M620 667C620 684 593 710 552 710C515 710 459 687 409 634C360 582 334 506 320 433H247L215 400L220 388H310L259 80C224 -129 199 -161 185 -174C175 -183 160 -192 141 -192C123 -192 90 -181 75 -165C69 -158 64 -156 54 -164C39 -178 24 -195 24 -208C24 -231 61 -257 94 -257C124 -257 162 -243 209 -194C267 -134 303 -66 343 107C369 220 378 279 393 385L503 397L523 433H404C432 619 464 660 500 660C522 660 542 646 566 621C573 614 583 615 593 621C603 628 620 648 620 667Z" id="g50-103"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="644" vert-adv-y="644"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,23.098,0)"><path d="M275 270C275 450 212 609 64 710L45 686C145 604 203 442 203 270S147 -63 45 -147L64 -170C213 -68 275 89 275 270Z" id="g113-42"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="346" vert-adv-y="346"></glyph.data></g></svg>.</div>

Smart Materials Research

fig3

Figure 3

Figure 3: Atomistic Study on Size Effects in Thermally Induced Martensitic Phase Transformation of NiTi 