{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T11:18:33Z","timestamp":1792754313793,"version":"4.5.0"},"reference-count":52,"publisher":"Springer Science and Business Media LLC","issue":"4","license":[{"start":{"date-parts":[[2025,3,24]],"date-time":"2025-03-24T00:00:00Z","timestamp":1742774400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2025,3,24]],"date-time":"2025-03-24T00:00:00Z","timestamp":1742774400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Mol Model"],"published-print":{"date-parts":[[2025,4]]},"DOI":"10.1007\/s00894-025-06349-0","type":"journal-article","created":{"date-parts":[[2025,3,24]],"date-time":"2025-03-24T09:31:01Z","timestamp":1742808661000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Deformation and phase transformation of dual-phase Ti under tension and compression process"],"prefix":"10.1007","volume":"31","author":[{"given":"Thi-Thuy Binh","family":"Ngo","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Van-Thuc","family":"Nguyen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Te-Hua","family":"Fang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2025,3,24]]},"reference":[{"key":"6349_CR1","doi-asserted-by":"publisher","first-page":"399","DOI":"10.1016\/j.msea.2017.07.081","volume":"703","author":"BD Bishoyi","year":"2017","unstructured":"Bishoyi BD, Sabat RK, Sahu J, Sahoo SK (2017) Effect of temperature on microstructure and texture evolution during uniaxial tension of commercially pure titanium. Mater Sci Eng: A 703:399\u2013412. https:\/\/doi.org\/10.1016\/j.msea.2017.07.081","journal-title":"Mater Sci Eng: A"},{"issue":"3","key":"6349_CR2","doi-asserted-by":"publisher","first-page":"1684","DOI":"10.1016\/j.matdes.2010.09.011","volume":"32","author":"CX Cui","year":"2011","unstructured":"Cui CX, Hu BM, Zhao LC, Liu SJ (2011) Titanium alloy production technology, market prospects and industry development. Mater Des 32(3):1684\u20131691. https:\/\/doi.org\/10.1016\/j.matdes.2010.09.011","journal-title":"Mater Des"},{"key":"6349_CR3","doi-asserted-by":"publisher","first-page":"537","DOI":"10.1016\/j.matpr.2022.01.008","volume":"54","author":"P Pushp","year":"2022","unstructured":"Pushp P, Dasharath SM, Arati C (2022) Classification and applications of titanium and its alloys. Mater Today 54:537\u2013542. https:\/\/doi.org\/10.1016\/j.matpr.2022.01.008","journal-title":"Mater Today"},{"key":"6349_CR4","doi-asserted-by":"publisher","DOI":"10.1016\/j.measurement.2022.111115","volume":"195","author":"JM Zhang","year":"2022","unstructured":"Zhang JM, Wang XC, Xu D, Yang Q, Zhao JW, Xue RJ (2022) Prediction of volume fraction of primary \u03b1 phase in dual-phase titanium alloy based on laser ultrasonic. Measurement 195:111115. https:\/\/doi.org\/10.1016\/j.measurement.2022.111115","journal-title":"Measurement"},{"issue":"1","key":"6349_CR5","doi-asserted-by":"publisher","first-page":"32","DOI":"10.1016\/S0921-5093(97)00778-8","volume":"243","author":"G L\u00fctjering","year":"1998","unstructured":"L\u00fctjering G (1998) Influence of processing on microstructure and mechanical properties of (\u03b1+\u03b2) titanium alloys. Mater Sci Eng: A 243(1):32\u201345. https:\/\/doi.org\/10.1016\/S0921-5093(97)00778-8","journal-title":"Mater Sci Eng: A"},{"key":"6349_CR6","doi-asserted-by":"publisher","first-page":"68","DOI":"10.1016\/j.jmst.2022.04.052","volume":"131","author":"T Zhang","year":"2022","unstructured":"Zhang T, Wei DX, Lu E, Wang W, Wang KS, Li XQ, Zhang LC, Kato H, Lu WJ, Wang LQ (2022) Microstructure evolution and deformation mechanism of \u03b1+\u03b2 dual-phase Ti-xNb-yTa-2Zr alloys with high performance. J Mater Sci Technol 131:68\u201381. https:\/\/doi.org\/10.1016\/j.jmst.2022.04.052","journal-title":"J Mater Sci Technol"},{"key":"6349_CR7","doi-asserted-by":"publisher","first-page":"63","DOI":"10.1016\/j.promfg.2016.11.009","volume":"6","author":"S Patil","year":"2016","unstructured":"Patil S, Kekade S, Phapale K, Jadhav S, Powar A, Supare A, Singh R (2016) Effect of \u03b1 and \u03b2 phase volume fraction on machining characteristics of titanium alloy Ti6Al4V. Procedia Manuf 6:63\u201370. https:\/\/doi.org\/10.1016\/j.promfg.2016.11.009","journal-title":"Procedia Manuf"},{"issue":"1","key":"6349_CR8","doi-asserted-by":"publisher","first-page":"84","DOI":"10.1016\/S0924-0136(02)00248-0","volume":"133","author":"R Filip","year":"2003","unstructured":"Filip R, Kubiak K, Ziaja W, Sieniawski J (2003) The effect of microstructure on the mechanical properties of two-phase titanium alloys. J Mater Process Technol 133(1):84\u201389. https:\/\/doi.org\/10.1016\/S0924-0136(02)00248-0","journal-title":"J Mater Process Technol"},{"key":"6349_CR9","doi-asserted-by":"publisher","first-page":"161","DOI":"10.1016\/j.ijplas.2018.10.014","volume":"114","author":"QH Fang","year":"2019","unstructured":"Fang QH, Chen Y, Li J, Jiang C, Liu B, Liu Y, Liaw PK (2019) Probing the phase transformation and dislocation evolution in dual-phase high-entropy alloys. Int J Plast 114:161\u2013173. https:\/\/doi.org\/10.1016\/j.ijplas.2018.10.014","journal-title":"Int J Plast"},{"key":"6349_CR10","doi-asserted-by":"publisher","first-page":"398","DOI":"10.1016\/j.msea.2018.01.128","volume":"718","author":"BD Bishoyi","year":"2018","unstructured":"Bishoyi BD, Sabat RK, Sahoo SK (2018) Effect of temperature on microstructure and texture evolutions during uniaxial compression of commercially pure titanium. Mater Sci Eng: A 718:398\u2013411. https:\/\/doi.org\/10.1016\/j.msea.2018.01.128","journal-title":"Mater Sci Eng: A"},{"issue":"6","key":"6349_CR11","doi-asserted-by":"publisher","first-page":"2020","DOI":"10.1007\/s12598-022-02205-9","volume":"42","author":"YG Tong","year":"2023","unstructured":"Tong YG, Tian N, Huang HF, Zhang ZB, Liang XB, Ji XX, Fang JZ, Hu YL (2023) Microstructure and deformation mechanism of dual-phase Al0.5CoCrNiFe high-entropy alloy. Rare Metals 42(6):2020\u20132027. https:\/\/doi.org\/10.1007\/s12598-022-02205-9","journal-title":"Rare Metals"},{"issue":"15","key":"6349_CR12","doi-asserted-by":"publisher","first-page":"1252","DOI":"10.1080\/08927022.2018.1485150","volume":"44","author":"BW Zhang","year":"2018","unstructured":"Zhang BW, Zhou LC, Sun Y, He WF, Chen YZ (2018) Molecular dynamics simulation of crack growth in pure titanium under uniaxial tension. Mol Simul 44(15):1252\u20131260. https:\/\/doi.org\/10.1080\/08927022.2018.1485150","journal-title":"Mol Simul"},{"key":"6349_CR13","doi-asserted-by":"publisher","DOI":"10.1016\/j.mtcomm.2024.110476","volume":"41","author":"TTB Ngo","year":"2024","unstructured":"Ngo TTB, Nguyen VT, Fang TH (2024) Mechanical properties and deformation mechanism of defected NiCrCoFeMn alloys. Mater Today Commun 41:110476. https:\/\/doi.org\/10.1016\/j.mtcomm.2024.110476","journal-title":"Mater Today Commun"},{"issue":"1","key":"6349_CR14","doi-asserted-by":"publisher","first-page":"483","DOI":"10.1007\/s11665-023-07984-5","volume":"33","author":"JY Liu","year":"2024","unstructured":"Liu JY, Zhang LQ (2024) A study of compression deformation behavior of \u03b3\/\u03b12 Interface in \u03b3(TiAl) alloy using molecular dynamics simulation. J Mater Eng Perform 33(1):483\u2013495. https:\/\/doi.org\/10.1007\/s11665-023-07984-5","journal-title":"J Mater Eng Perform"},{"key":"6349_CR15","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijmecsci.2020.105865","volume":"185","author":"DQ Doan","year":"2020","unstructured":"Doan DQ, Fang TH, Chen TH (2020) Influences of grain size and temperature on tribological characteristics of CuAlNi alloys under nanoindentation and nanoscratch. Int J Mech Sci 185:105865. https:\/\/doi.org\/10.1016\/j.ijmecsci.2020.105865","journal-title":"Int J Mech Sci"},{"key":"6349_CR16","doi-asserted-by":"publisher","DOI":"10.1016\/j.mtcomm.2022.104042","volume":"32","author":"VT Nguyen","year":"2022","unstructured":"Nguyen VT, Binh NTT, Fang TH (2022) Effects of mold shape mold vibration and substrate composition in FeNiCrCoMn high entropy alloys nanoimprint. Mater Today Commun 32:104042. https:\/\/doi.org\/10.1016\/j.mtcomm.2022.104042","journal-title":"Mater Today Commun"},{"issue":"9","key":"6349_CR17","doi-asserted-by":"publisher","first-page":"293","DOI":"10.1007\/s00894-023-05699-x","volume":"29","author":"TTB Ngo","year":"2023","unstructured":"Ngo TTB, Nguyen VT, Fang TH (2023) Nanoscale friction behavior and deformation during copper chemical mechanical polishing process. J Mol Model 29(9):293. https:\/\/doi.org\/10.1007\/s00894-023-05699-x","journal-title":"J Mol Model"},{"issue":"8","key":"6349_CR18","doi-asserted-by":"publisher","first-page":"2982","DOI":"10.1007\/s11661-023-07094-w","volume":"54","author":"LC Xie","year":"2023","unstructured":"Xie LC, Yao YP, Liu C, Yu YM, Yin F, Qian DS, Song YL, Wang LQ, Zhang LC, Hua L (2023) Molecular Dynamics simulation and experimental verification of microstructure evolution of dual-phase Ti alloy during electroshocking treatment. Metall Mater Trans A 54(8):2982\u20132988. https:\/\/doi.org\/10.1007\/s11661-023-07094-w","journal-title":"Metall Mater Trans A"},{"key":"6349_CR19","doi-asserted-by":"publisher","DOI":"10.1016\/j.mechmat.2023.104753","volume":"185","author":"P Wang","year":"2023","unstructured":"Wang P, Cao Y, Zhou DX, Li M, Jiang K, Zhou HF, Qu P, Wang HT (2023) Molecular dynamic simulations of the martensitic transformation for the dual-phase structure and dislocation activities in Ti80 alloys. Mech Mater 185:104753. https:\/\/doi.org\/10.1016\/j.mechmat.2023.104753","journal-title":"Mech Mater"},{"key":"6349_CR20","doi-asserted-by":"publisher","DOI":"10.1016\/j.mtcomm.2020.101622","volume":"25","author":"JY Li","year":"2020","unstructured":"Li JY, Dong LG, Zang X, Zhang XM, Zhao WH, Wang F (2020) Study on micro-crack propagation behavior of single-crystal \u03b1-Ti under shear stress based on molecular dynamics. Mater Today Commun 25:101622. https:\/\/doi.org\/10.1016\/j.mtcomm.2020.101622","journal-title":"Mater Today Commun"},{"key":"6349_CR21","doi-asserted-by":"publisher","first-page":"398","DOI":"10.1016\/j.jallcom.2014.05.159","volume":"612","author":"JM Calderon-Moreno","year":"2014","unstructured":"Calderon-Moreno JM, Vasilescu C, Drob SI, Ivanescu S, Osiceanu P, Drob P, Popa M, Preda S, Vasilescu E (2014) Microstructural and mechanical properties, surface and electrochemical characterisation of a new Ti\u2013Zr\u2013Nb alloy for implant applications. J Alloys Compd 612:398\u2013410. https:\/\/doi.org\/10.1016\/j.jallcom.2014.05.159","journal-title":"J Alloys Compd"},{"key":"6349_CR22","doi-asserted-by":"publisher","unstructured":"Mendelev MI, Underwood T, Ackland G (2016) Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium. J Chem Phys 145(15). https:\/\/doi.org\/10.1063\/1.4964654","DOI":"10.1063\/1.4964654"},{"key":"6349_CR23","doi-asserted-by":"publisher","DOI":"10.1016\/j.actamat.2023.119364","volume":"261","author":"JY Zhang","year":"2023","unstructured":"Zhang JY, Sun ZP, Qiu D, Dai FZ, Zhang YS, Xu DS, Zhang WZ (2023) Dislocation-mediated migration of the \u03b1\/\u03b2 interfaces in titanium. Acta Mater 261:119364. https:\/\/doi.org\/10.1016\/j.actamat.2023.119364","journal-title":"Acta Mater"},{"key":"6349_CR24","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijplas.2023.103644","volume":"166","author":"TQ Wen","year":"2023","unstructured":"Wen TQ, Liu AW, Wang R, Zhang LF, Han J, Wang H, Srolovitz DJ, Wu ZX (2023) Modelling of dislocations, twins and crack-tips in HCP and BCC Ti. Int J Plast 166:103644. https:\/\/doi.org\/10.1016\/j.ijplas.2023.103644","journal-title":"Int J Plast"},{"key":"6349_CR25","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2021.108171","volume":"271","author":"AP Thompson","year":"2022","unstructured":"Thompson AP, Aktulga HM, Berger R, Bolintineanu DS, Brown WM, Crozier PS, In\u2019t Veld PJ, Kohlmeyer A, Moore SG, Nguyen TD (2022) LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput Phys Commun 271:108171. https:\/\/doi.org\/10.1016\/j.cpc.2021.108171","journal-title":"Comput Phys Commun"},{"issue":"1","key":"6349_CR26","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1006\/jcph.1995.1039","volume":"117","author":"S Plimpton","year":"1995","unstructured":"Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117(1):1\u201319. https:\/\/doi.org\/10.1006\/jcph.1995.1039","journal-title":"J Comput Phys"},{"issue":"1","key":"6349_CR27","doi-asserted-by":"publisher","DOI":"10.1088\/0965-0393\/18\/1\/015012","volume":"18","author":"A Stukowski","year":"2010","unstructured":"Stukowski A (2010) Visualization and analysis of atomistic simulation data with OVITO\u2013the open visualization tool. Model Simul Mater Sci Eng 18(1):015012. https:\/\/doi.org\/10.1088\/0965-0393\/18\/1\/015012","journal-title":"Model Simul Mater Sci Eng"},{"issue":"8","key":"6349_CR28","doi-asserted-by":"publisher","DOI":"10.1088\/0965-0393\/18\/8\/085001","volume":"18","author":"A Stukowski","year":"2010","unstructured":"Stukowski A, Albe K (2010) Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Model Simul Mater Sci Eng 18(8):085001. https:\/\/doi.org\/10.1088\/0965-0393\/18\/8\/085001","journal-title":"Model Simul Mater Sci Eng"},{"issue":"8","key":"6349_CR29","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP03739D","volume":"20","author":"A Stukowski","year":"2012","unstructured":"Stukowski A, Bulatov VV, Arsenlis A (2012) Automated identification and indexing of dislocations in crystal interfaces. Model Simul Mater Sci Eng 20(8):085007. https:\/\/doi.org\/10.1039\/D2CP03739D","journal-title":"Model Simul Mater Sci Eng"},{"issue":"4","key":"6349_CR30","doi-asserted-by":"publisher","DOI":"10.1088\/0965-0393\/20\/4\/045021","volume":"20","author":"A Stukowski","year":"2012","unstructured":"Stukowski A (2012) Structure identification methods for atomistic simulations of crystalline materials. Model Simul Mater Sci Eng 20(4):045021. https:\/\/doi.org\/10.1088\/0965-0393\/20\/4\/045021","journal-title":"Model Simul Mater Sci Eng"},{"key":"6349_CR31","doi-asserted-by":"publisher","first-page":"295","DOI":"10.1016\/j.commatsci.2019.01.027","volume":"160","author":"HY Song","year":"2019","unstructured":"Song HY, Zuo XD, An MR, Xiao MX, Li YL (2019) Superplastic dual-phase nanostructure Mg alloy: a molecular dynamics study. Comput Mater Sci 160:295\u2013300. https:\/\/doi.org\/10.1016\/j.commatsci.2019.01.027","journal-title":"Comput Mater Sci"},{"key":"6349_CR32","doi-asserted-by":"publisher","first-page":"1787","DOI":"10.1007\/s11661-001-0155-1","volume":"32","author":"S Semiatin","year":"2001","unstructured":"Semiatin S, Bieler T (2001) Effect of texture and slip mode on the anisotropy of plastic flow and flow softening during hot working of Ti-6Al-4V. Metall Mater Trans A 32:1787\u20131799. https:\/\/doi.org\/10.1007\/s11661-001-0155-1","journal-title":"Metall Mater Trans A"},{"issue":"1","key":"6349_CR33","doi-asserted-by":"publisher","first-page":"826","DOI":"10.1038\/s41467-020-14641-1","volume":"11","author":"SJ Chen","year":"2020","unstructured":"Chen SJ, Oh HS, Gludovatz B, Kim SJ, Park ES, Zhang Z, Ritchie RO, Yu Q (2020) Real-time observations of TRIP-induced ultrahigh strain hardening in a dual-phase CrMnFeCoNi high-entropy alloy. Nat Commun 11(1):826. https:\/\/doi.org\/10.1038\/s41467-020-14641-1","journal-title":"Nat Commun"},{"key":"6349_CR34","doi-asserted-by":"publisher","unstructured":"Trofimov E, Lutfullin RY, Kashaev R (2015) Elastic properties of the titanium alloy Ti-6Al-4V. J \u041f\u0438c\u044c\u043ca o \u043ca\u0442ep\u0438a\u043bax 5(1):67\u201369. https:\/\/doi.org\/10.22226\/2410-3535-2015-1-67-69","DOI":"10.22226\/2410-3535-2015-1-67-69"},{"key":"6349_CR35","doi-asserted-by":"publisher","DOI":"10.1016\/j.msea.2021.141322","volume":"816","author":"Z Chen","year":"2021","unstructured":"Chen Z, Zhong DL, Sun Q, Ma XK (2021) Effect of \u03b1 phase fraction on the dynamic mechanical behavior of a dual-phase metastable \u03b2 titanium alloy Ti\u201310V\u20132Fe\u20133Al. Mater Sci Eng: A 816:141322. https:\/\/doi.org\/10.1016\/j.msea.2021.141322","journal-title":"Mater Sci Eng: A"},{"issue":"11","key":"6349_CR36","doi-asserted-by":"publisher","first-page":"2923","DOI":"10.2320\/matertrans.MJ200769","volume":"48","author":"F Shimizu","year":"2007","unstructured":"Shimizu F, Ogata S, Li J (2007) Theory of shear banding in metallic glasses and molecular dynamics calculations. Mater Trans 48(11):2923\u20132927. https:\/\/doi.org\/10.2320\/matertrans.MJ200769","journal-title":"Mater Trans"},{"key":"6349_CR37","doi-asserted-by":"publisher","first-page":"157","DOI":"10.1016\/j.matlet.2016.08.045","volume":"184","author":"Z Ji","year":"2016","unstructured":"Ji Z, Yang H (2016) Microstructural design of two-phase titanium alloys by micro-scale strain distribution. Mater Lett 184:157\u2013161. https:\/\/doi.org\/10.1016\/j.matlet.2016.08.045","journal-title":"Mater Lett"},{"key":"6349_CR38","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpcs.2022.110835","volume":"169","author":"H Zhang","year":"2022","unstructured":"Zhang H, Wei BQ, Ou XQ, Ni S, Zhou KC, Song M (2022) Dislocation induced FCC twinning at the HCP\/FCC interfaces in a deformed Ti-5at.%Al alloy: experiments and simulations. J Phys Chem Solids 169:110835. https:\/\/doi.org\/10.1016\/j.jpcs.2022.110835","journal-title":"J Phys Chem Solids"},{"key":"6349_CR39","doi-asserted-by":"publisher","first-page":"58","DOI":"10.1016\/j.mfglet.2024.03.002","volume":"40","author":"A Pratap","year":"2024","unstructured":"Pratap A, Kumar Katiyar N, Fan P, Goel S, Joshi SS (2024) Forest hardening and Hirth lock during grinding of copper evidenced by MD simulations. Manuf Lett 40:58\u201364. https:\/\/doi.org\/10.1016\/j.mfglet.2024.03.002","journal-title":"Manuf Lett"},{"issue":"6","key":"6349_CR40","doi-asserted-by":"publisher","first-page":"2426","DOI":"10.1007\/s11665-015-1495-0","volume":"24","author":"SC Li","year":"2015","unstructured":"Li SC, Kang YL, Zhu GM, Kuang S (2015) Effects of strain rates on mechanical properties and fracture mechanism of DP780 dual phase steel. J Mater Eng Perform 24(6):2426\u20132434. https:\/\/doi.org\/10.1007\/s11665-015-1495-0","journal-title":"J Mater Eng Perform"},{"key":"6349_CR41","doi-asserted-by":"publisher","first-page":"179","DOI":"10.1016\/j.matdes.2011.07.060","volume":"34","author":"L Tsao","year":"2012","unstructured":"Tsao L, Wu H, Leong J, Fang C (2012) Flow stress behavior of commercial pure titanium sheet during warm tensile deformation. Mater Des 34:179\u2013184. https:\/\/doi.org\/10.1016\/j.matdes.2011.07.060","journal-title":"Mater Des"},{"key":"6349_CR42","doi-asserted-by":"publisher","first-page":"392","DOI":"10.1016\/j.carbon.2020.02.066","volume":"162","author":"JJ Li","year":"2020","unstructured":"Li JJ, Tian CY, Zhang YH, Zhou HJ, Hu GM, Xia R (2020) Structure-property relation of nanoporous graphene membranes. Carbon 162:392\u2013401. https:\/\/doi.org\/10.1016\/j.carbon.2020.02.066","journal-title":"Carbon"},{"key":"6349_CR43","doi-asserted-by":"publisher","first-page":"701","DOI":"10.1016\/j.msea.2017.09.055","volume":"707","author":"X Ji","year":"2017","unstructured":"Ji X, Emura S, Min X, Tsuchiya K (2017) Strain-rate effect on work-hardening behavior in \u03b2-type Ti-10Mo-1Fe alloy with TWIP effect. Mater Sci Eng: A 707:701\u2013707. https:\/\/doi.org\/10.1016\/j.msea.2017.09.055","journal-title":"Mater Sci Eng: A"},{"key":"6349_CR44","doi-asserted-by":"publisher","first-page":"259","DOI":"10.1016\/j.msea.2016.10.095","volume":"680","author":"ZG Liu","year":"2017","unstructured":"Liu ZG, Li PJ, Xiong LT, Liu TY, He LJ (2017) High-temperature tensile deformation behavior and microstructure evolution of Ti55 titanium alloy. Mater Sci Eng: A 680:259\u2013269. https:\/\/doi.org\/10.1016\/j.msea.2016.10.095","journal-title":"Mater Sci Eng: A"},{"key":"6349_CR45","doi-asserted-by":"publisher","first-page":"401","DOI":"10.1016\/j.msea.2014.03.117","volume":"606","author":"QJ Sun","year":"2014","unstructured":"Sun QJ, Wang GC (2014) Microstructure and superplasticity of TA15 alloy. Mater Sci Eng, A 606:401\u2013408. https:\/\/doi.org\/10.1016\/j.msea.2014.03.117","journal-title":"Mater Sci Eng, A"},{"issue":"22","key":"6349_CR46","doi-asserted-by":"publisher","first-page":"4200","DOI":"10.1016\/j.physb.2011.08.008","volume":"406","author":"A Josephine Prabha","year":"2011","unstructured":"Josephine Prabha A, Raju S, Jeyaganesh B, Rai AK, Behera M, Vijayalakshmi M, Paneerselvam G, Johnson I (2011) Thermodynamics of \u03b1\u2033\u2192\u03b2 phase transformation and heat capacity measurements in Ti\u201315at% Nb alloy. Physica B 406(22):4200\u20134209. https:\/\/doi.org\/10.1016\/j.physb.2011.08.008","journal-title":"Physica B"},{"key":"6349_CR47","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2020.113606","volume":"315","author":"J Song","year":"2020","unstructured":"Song J, Wang LY, Zhang L, Wu WH, Gao ZB (2020) First-principles molecular dynamics studying the solidification of Ti-6Al-4V alloy. J Mol Liq 315:113606. https:\/\/doi.org\/10.1016\/j.molliq.2020.113606","journal-title":"J Mol Liq"},{"issue":"1\u20133","key":"6349_CR48","doi-asserted-by":"publisher","first-page":"127","DOI":"10.1016\/S0924-0136(97)00302-6","volume":"75","author":"WS Lee","year":"1998","unstructured":"Lee WS, Lin CF (1998) High-temperature deformation behaviour of Ti6Al4V alloy evaluated by high strain-rate compression tests. J Mater Process Technol 75(1\u20133):127\u2013136. https:\/\/doi.org\/10.1016\/S0924-0136(97)00302-6","journal-title":"J Mater Process Technol"},{"key":"6349_CR49","doi-asserted-by":"publisher","DOI":"10.1590\/1980-5373-MR-2019-0638","volume":"23","author":"JQ Ren","year":"2020","unstructured":"Ren JQ, Liu XT, Lei QF, Wang Q, Zhang XB, Zhang XD, Lu XF, Xue HT, Ding YT (2020) Deformation behavior of pure titanium with a rare HCP\/FCC Boundary: an atomistic study. Mater Res 23:e20190638. https:\/\/doi.org\/10.1590\/1980-5373-MR-2019-0638","journal-title":"Mater Res"},{"issue":"1","key":"6349_CR50","doi-asserted-by":"publisher","first-page":"63","DOI":"10.1016\/j.pnsc.2021.09.011","volume":"32","author":"JS Wang","year":"2022","unstructured":"Wang JS, Xiao WL, Fu Y, Ren L, Ma CL (2022) Dependence of mechanical behavior on grain size of metastable Ti\u2013Nb\u2013O titanium alloy. Prog Nat Sci: Mater Int 32(1):63\u201371. https:\/\/doi.org\/10.1016\/j.pnsc.2021.09.011","journal-title":"Prog Nat Sci: Mater Int"},{"key":"6349_CR51","doi-asserted-by":"publisher","first-page":"149","DOI":"10.1016\/j.actamat.2018.09.050","volume":"162","author":"C de Formanoir","year":"2019","unstructured":"de Formanoir C, Martin G, Prima F, Allain SY, Dessolier T, Sun F, Viv\u00e8s S, Hary B, Br\u00e9chet Y, Godet S (2019) Micromechanical behavior and thermal stability of a dual-phase \u03b1+ \u03b1\u2019titanium alloy produced by additive manufacturing. Acta Mater 162:149\u2013162. https:\/\/doi.org\/10.1016\/j.actamat.2018.09.050","journal-title":"Acta Mater"},{"key":"6349_CR52","doi-asserted-by":"publisher","first-page":"83","DOI":"10.1016\/j.jmbbm.2012.01.017","volume":"9","author":"A Ramarolahy","year":"2012","unstructured":"Ramarolahy A, Castany P, Prima F, Laheurte P, P\u00e9ron I, Gloriant T (2012) Microstructure and mechanical behavior of superelastic Ti\u201324Nb\u20130.5 O and Ti\u201324Nb\u20130.5 N biomedical alloys. J Mech Behav Biomed Mater 9:83\u201390. https:\/\/doi.org\/10.1016\/j.jmbbm.2012.01.017","journal-title":"J Mech Behav Biomed Mater"}],"container-title":["Journal of Molecular Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-025-06349-0.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s00894-025-06349-0\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-025-06349-0.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,4,8]],"date-time":"2025-04-08T17:13:07Z","timestamp":1744132387000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s00894-025-06349-0"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,3,24]]},"references-count":52,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2025,4]]}},"alternative-id":["6349"],"URL":"https:\/\/doi.org\/10.1007\/s00894-025-06349-0","relation":{},"ISSN":["1610-2940","0948-5023"],"issn-type":[{"value":"1610-2940","type":"print"},{"value":"0948-5023","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,3,24]]},"assertion":[{"value":"23 December 2024","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"11 March 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"24 March 2025","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare no competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interest"}}],"article-number":"125"}}