Models of dislocation glide and strengthening mechanisms in bcc complex concentrated alloys

Zhou, Xinran; Wang, Xinyi; Fey, Lauren; He, Sicong; Beyerlein, Irene; Cao, Penghui; Marian, Jaime

doi:10.1557/s43577-023-00571-y

Title: Models of dislocation glide and strengthening mechanisms in bcc complex concentrated alloys

Journal Article · 02 August 2023 · MRS Bulletin

DOI: https://doi.org/10.1557/s43577-023-00571-y · OSTI ID:1993660

Zhou, Xinran; Wang, Xinyi; Fey, Lauren; He, Sicong; Beyerlein, Irene; Cao, Penghui;

Abstract The mechanical response of complex concentrated alloys (CCAs) deviates from that of their pure and dilute counterparts due to the introduction of a combinatorially sized chemical concentration dimension. Compositional fluctuations constantly alter the energy landscape over which dislocations move, leading to line roughness and the appearance of defects such as kinks and jogs under stress and temperature conditions where they would ordinarily not exist in pure metals and dilute alloys. The presence of such chemical defects gives rise to atomic-level mechanisms that fundamentally change how CCAs deform plastically at meso- and macroscales. In this article, we provide a review of recent advances in modeling dislocation glide processes in CCAs, including atomistic simulations of dislocation glide using molecular dynamics, kinetic Monte Carlo simulations of edge and screw dislocation motion in refractory CCAs, and phase-field models of dislocation evolution over complex energy landscapes. We also discuss pathways to develop comprehensive simulation methodologies that connect an atomic-level description of the compositional complexity of CCAs with their mesoscopic dislocation-mediated plastic response with an eye toward improved design of CCA with superior mechanical response. Graphical abstract

View Journal Article

Cite

Export

Save

Research Organization:: Krell Institute, Ames, IA (United States); Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); US Department of the Navy, Office of Naval Research (ONR); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0003960; SC0022295

OSTI ID:: 1993660

Journal Information:: MRS Bulletin, Journal Name: MRS Bulletin Journal Issue: 7 Vol. 48; ISSN 0883-7694

Publisher:: Cambridge University Press (CUP)Copyright Statement

Country of Publication:: United States

Language:: English

References (78)

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes Yeh, J.-W.; Chen, S.-K.; Lin, S.-J. Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303 https://doi.org/10.1002/adem.200300567	journal	May 2004
Superior High‐Temperature Strength in a Supersaturated Refractory High‐Entropy Alloy Feng, Rui; Feng, Bojun; Gao, Michael C. Advanced Materials, Vol. 33, Issue 48 https://doi.org/10.1002/adma.202102401	journal	October 2021
High-Entropy Alloys Gao, Michael C.; Yeh, Jien-Wei; Liaw, Peter K. https://doi.org/10.1007/978-3-319-27013-5	book	January 2016
Irradiation Resistance of Multicomponent Alloys Egami, T.; Guo, W.; Rack, P. D. Metallurgical and Materials Transactions A, Vol. 45, Issue 1 https://doi.org/10.1007/s11661-013-1994-2	journal	September 2013
Irradiation Behavior in High Entropy Alloys Xia, Song-qin; Wang, Zhen; Yang, Teng-fei Journal of Iron and Steel Research International, Vol. 22, Issue 10 https://doi.org/10.1016/S1006-706X(15)30084-4	journal	October 2015
Size-dependent plasticity in an Nb25Mo25Ta25W25 refractory high-entropy alloy Zou, Yu; Maiti, Soumyadipta; Steurer, Walter Acta Materialia, Vol. 65 https://doi.org/10.1016/j.actamat.2013.11.049	journal	February 2014
Temperature and high strain rate dependence of tensile deformation behavior in single-crystal iron from dislocation dynamics simulations Tang, Meijie; Marian, Jaime Acta Materialia, Vol. 70 https://doi.org/10.1016/j.actamat.2014.02.013	journal	May 2014
Microstructural stability and mechanical behavior of FeNiMnCr high entropy alloy under ion irradiation Kumar, N. A. P. Kiran; Li, C.; Leonard, K. J. Acta Materialia, Vol. 113 https://doi.org/10.1016/j.actamat.2016.05.007	journal	July 2016
Theory of strengthening in fcc high entropy alloys Varvenne, Céline; Luque, Aitor; Curtin, William A. Acta Materialia, Vol. 118 https://doi.org/10.1016/j.actamat.2016.07.040	journal	October 2016
A critical review of high entropy alloys and related concepts Miracle, D. B.; Senkov, O. N. Acta Materialia, Vol. 122 https://doi.org/10.1016/j.actamat.2016.08.081	journal	January 2017
Boron doped ultrastrong and ductile high-entropy alloys Seol, Jae Bok; Bae, Jae Wung; Li, Zhiming Acta Materialia, Vol. 151 https://doi.org/10.1016/j.actamat.2018.04.004	journal	June 2018
Effects of the stacking fault energy fluctuations on the strengthening of alloys Zeng, Yifei; Cai, Xiaorong; Koslowski, Marisol Acta Materialia, Vol. 164 https://doi.org/10.1016/j.actamat.2018.09.066	journal	February 2019
The effect of randomness on the strength of high-entropy alloys Zhang, Luchan; Xiang, Yang; Han, Jian Acta Materialia, Vol. 166 https://doi.org/10.1016/j.actamat.2018.12.032	journal	March 2019
Modeling solution hardening in BCC refractory complex concentrated alloys: NbTiZr, Nb1.5TiZr0.5 and Nb0.5TiZr1.5 Rao, S. I.; Akdim, B.; Antillon, E. Acta Materialia, Vol. 168 https://doi.org/10.1016/j.actamat.2019.02.013	journal	April 2019
Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys Maresca, Francesco; Curtin, William A. Acta Materialia, Vol. 182 https://doi.org/10.1016/j.actamat.2019.10.007	journal	January 2020
Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K Maresca, Francesco; Curtin, William A. Acta Materialia, Vol. 182 https://doi.org/10.1016/j.actamat.2019.10.015	journal	January 2020
Chemical short range order strengthening in a model FCC high entropy alloy Antillon, E.; Woodward, C.; Rao, S. I. Acta Materialia, Vol. 190 https://doi.org/10.1016/j.actamat.2020.02.041	journal	May 2020
Cross-kinks control screw dislocation strength in equiatomic bcc refractory alloys Zhou, Xinran; He, Sicong; Marian, Jaime Acta Materialia, Vol. 211 https://doi.org/10.1016/j.actamat.2021.116875	journal	June 2021
The hierarchical energy landscape of screw dislocation motion in refractory high-entropy alloys Wang, Xinyi; Maresca, Francesco; Cao, Penghui Acta Materialia, Vol. 234 https://doi.org/10.1016/j.actamat.2022.118022	journal	August 2022
Thermal super-jogs control the high-temperature strength plateau in Nb-Mo-Ta-W alloys He, Sicong; Zhou, Xinran; Mordehai, Dan Acta Materialia, Vol. 244 https://doi.org/10.1016/j.actamat.2022.118539	journal	January 2023
Atomistic modeling of dislocations in a random quinary high-entropy alloy Pasianot, Roberto; Farkas, Diana Computational Materials Science, Vol. 173 https://doi.org/10.1016/j.commatsci.2019.109366	journal	February 2020
Thermally-activated non-Schmid glide of screw dislocations in W using atomistically-informed kinetic Monte Carlo simulations Stukowski, Alexander; Cereceda, David; Swinburne, Thomas D. International Journal of Plasticity, Vol. 65 https://doi.org/10.1016/j.ijplas.2014.08.015	journal	February 2015
Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations Cereceda, David; Diehl, Martin; Roters, Franz International Journal of Plasticity, Vol. 78 https://doi.org/10.1016/j.ijplas.2015.09.002	journal	March 2016
The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy Smith, Lauren T. W.; Su, Yanqing; Xu, Shuozhi International Journal of Plasticity, Vol. 134 https://doi.org/10.1016/j.ijplas.2020.102850	journal	November 2020
Effect of boron addition on the microstructure and mechanical properties of refractory Al0.1CrNbVMo high-entropy alloy Kang, Byungchul; Kong, Taeyeong; Dan, Nguyen Huy International Journal of Refractory Metals and Hard Materials, Vol. 100 https://doi.org/10.1016/j.ijrmhm.2021.105636	journal	November 2021
Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys Senkov, O. N.; Wilks, G. B.; Scott, J. M. Intermetallics, Vol. 19, Issue 5 https://doi.org/10.1016/j.intermet.2011.01.004	journal	May 2011
Mechanical properties of refractory high-entropy alloys: Experiments and modeling Yao, H. W.; Qiao, J. W.; Hawk, J. A. Journal of Alloys and Compounds, Vol. 696 https://doi.org/10.1016/j.jallcom.2016.11.188	journal	March 2017
A non-singular continuum theory of dislocations Cai, W.; Arsenlis, A.; Weinberger, C. Journal of the Mechanics and Physics of Solids, Vol. 54, Issue 3 https://doi.org/10.1016/j.jmps.2005.09.005	journal	March 2006
Phase stability and microstructures of high entropy alloys ion irradiated to high doses Xia, Songqin; Gao, Michael C.; Yang, Tengfei Journal of Nuclear Materials, Vol. 480 https://doi.org/10.1016/j.jnucmat.2016.08.017	journal	November 2016
High-strength NbMoTaX refractory high-entropy alloy with low stacking fault energy eutectic phase via laser additive manufacturing Zhang, Hang; Zhao, Yizhen; Cai, Jianglong Materials & Design, Vol. 201 https://doi.org/10.1016/j.matdes.2021.109462	journal	March 2021
Design of oxygen-doped TiZrHfNbTa refractory high entropy alloys with enhanced strength and ductility Iroc, L. K.; Tukac, O. U.; Tanrisevdi, B. B. Materials & Design, Vol. 223 https://doi.org/10.1016/j.matdes.2022.111239	journal	November 2022
Local chemical fluctuation mediated ductility in body-centered-cubic high-entropy alloys Bu, Yeqiang; Wu, Yuan; Lei, Zhifeng Materials Today, Vol. 46 https://doi.org/10.1016/j.mattod.2021.02.022	journal	June 2021
Solving oxygen embrittlement of refractory high-entropy alloy via grain boundary engineering Wang, Zhengqi; Wu, Honghui; Wu, Yuan Materials Today, Vol. 54 https://doi.org/10.1016/j.mattod.2022.02.006	journal	April 2022
Microstructural development in equiatomic multicomponent alloys Cantor, B.; Chang, I. T. H.; Knight, P. Materials Science and Engineering: A, Vol. 375-377 https://doi.org/10.1016/j.msea.2003.10.257	journal	July 2004
Cuboid-like nanostructure strengthened equiatomic Ti–Zr–Nb–Ta medium entropy alloy Nguyen, V. T.; Qian, M.; Shi, Z. Materials Science and Engineering: A, Vol. 798 https://doi.org/10.1016/j.msea.2020.140169	journal	November 2020
Microscale deformation controlled by compositional fluctuations in equiatomic Nb–Mo–Ta–W alloys Pozuelo, Marta; Marian, Jaime Materials Science and Engineering: A, Vol. 856 https://doi.org/10.1016/j.msea.2022.143892	journal	October 2022
Direct Metal Deposition of Refractory High Entropy Alloy MoNbTaW Dobbelstein, Henrik; Thiele, Magnus; Gurevich, Evgeny L. Physics Procedia, Vol. 83 https://doi.org/10.1016/j.phpro.2016.08.065	journal	January 2016
Microstructures and properties of high-entropy alloys Zhang, Yong; Zuo, Ting Ting; Tang, Zhi Progress in Materials Science, Vol. 61 https://doi.org/10.1016/j.pmatsci.2013.10.001	journal	April 2014
Unusual dislocation behavior in high-entropy alloys Ma, Evan Scripta Materialia, Vol. 181 https://doi.org/10.1016/j.scriptamat.2020.02.021	journal	May 2020
How Does Short-Range Order Impact Defect Kinetics in Irradiated Multiprincipal Element Alloys? Cao, Penghui Accounts of Materials Research, Vol. 2, Issue 2 https://doi.org/10.1021/accountsmr.0c00102	journal	January 2021
Dynamic transitions from smooth to rough to twinning in dislocation motion Marian, Jaime; Cai, Wei; Bulatov, Vasily V. Nature Materials, Vol. 3, Issue 3 https://doi.org/10.1038/nmat1072	journal	February 2004
U1 snRNP regulates cancer cell migration and invasion in vitro Oh, Jung-Min; Venters, Christopher C.; Di, Chao Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-019-13993-7	journal	January 2020
Anomalous collapses of Nares Strait ice arches leads to enhanced export of Arctic sea ice Moore, G. W. K.; Howell, S. E. L.; Brady, M. Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-020-20314-w	journal	January 2021
The origin of jerky dislocation motion in high-entropy alloys Utt, Daniel; Lee, Subin; Xing, Yaolong Nature Communications, Vol. 13, Issue 1 https://doi.org/10.1038/s41467-022-32134-1	journal	August 2022
Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe Wang, Haihang; Gopal, Priya; Picozzi, Silvia npj Computational Materials, Vol. 6, Issue 1 https://doi.org/10.1038/s41524-020-0274-0	journal	January 2020
High energy barriers for edge dislocation motion in body-centered cubic high entropy alloys Kubilay, R. E.; Ghafarollahi, A.; Maresca, F. npj Computational Materials, Vol. 7, Issue 1 https://doi.org/10.1038/s41524-021-00577-7	journal	July 2021
High-entropy alloys George, Easo P.; Raabe, Dierk; Ritchie, Robert O. Nature Reviews Materials, Vol. 4, Issue 8 https://doi.org/10.1038/s41578-019-0121-4	journal	June 2019
Anomalous slip in body-centred cubic metals Caillard, Daniel; Bienvenu, Baptiste; Clouet, Emmanuel Nature, Vol. 609, Issue 7929 https://doi.org/10.1038/s41586-022-05087-0	journal	September 2022
Microstructural Design for Improving Ductility of An Initially Brittle Refractory High Entropy Alloy Soni, V.; Senkov, O. N.; Gwalani, B. Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-27144-3	journal	June 2018
Line-length-dependent dislocation glide in refractory multi-principal element alloys Xu, Shuozhi; Jian, Wu-Rong; Su, Yanqing Applied Physics Letters, Vol. 120, Issue 6 https://doi.org/10.1063/5.0080849	journal	February 2022
Understanding the mechanisms of amorphous creep through molecular simulation Cao, Penghui; Short, Michael P.; Yip, Sidney Proceedings of the National Academy of Sciences, Vol. 114, Issue 52 https://doi.org/10.1073/pnas.1708618114	journal	December 2017
Potential energy landscape activations governing plastic flows in glass rheology Cao, Penghui; Short, Michael P.; Yip, Sidney Proceedings of the National Academy of Sciences, Vol. 116, Issue 38 https://doi.org/10.1073/pnas.1907317116	journal	September 2019
Unusual activated processes controlling dislocation motion in body-centered-cubic high-entropy alloys Chen, Bing; Li, Suzhi; Zong, Hongxiang Proceedings of the National Academy of Sciences, Vol. 117, Issue 28 https://doi.org/10.1073/pnas.1919136117	journal	June 2020
High-entropy alloys: a critical assessment of their founding principles and future prospects Pickering, E. J.; Jones, N. G. International Materials Reviews, Vol. 61, Issue 3 https://doi.org/10.1080/09506608.2016.1180020	journal	April 2016
High-Entropy Alloys: A Critical Review Tsai, Ming-Hung; Yeh, Jien-Wei Materials Research Letters, Vol. 2, Issue 3 https://doi.org/10.1080/21663831.2014.912690	journal	April 2014
Origin of high strength in the CoCrFeNiPd high-entropy alloy Yin, Binglun; Curtin, W. A. Materials Research Letters, Vol. 8, Issue 6 https://doi.org/10.1080/21663831.2020.1739156	journal	April 2020
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Direct prediction of the solute softening-to-hardening transition in W–Re alloys using stochastic simulations of screw dislocation motion Zhao, Yue; Marian, Jaime Modelling and Simulation in Materials Science and Engineering, Vol. 26, Issue 4 https://doi.org/10.1088/1361-651X/aaaecf	journal	March 2018
Solute/screw dislocation interaction energy parameter for strengthening in bcc dilute to high entropy alloys Ghafarollahi, A.; Maresca, F.; Curtin, Wa Modelling and Simulation in Materials Science and Engineering, Vol. 27, Issue 8 https://doi.org/10.1088/1361-651X/ab4969	journal	October 2019
Stress and temperature dependence of screw dislocation mobility in α -Fe by molecular dynamics Gilbert, M. R.; Queyreau, S.; Marian, J. Physical Review B, Vol. 84, Issue 17 https://doi.org/10.1103/PhysRevB.84.174103	journal	November 2011
First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe Dezerald, L.; Proville, L.; Ventelon, Lisa Physical Review B, Vol. 91, Issue 9 https://doi.org/10.1103/PhysRevB.91.094105	journal	March 2015
Coupling 2D atomistic information to 3D kink-pair enthalpy models of screw dislocations in bcc metals He, Sicong; Overly, Emma; Bulatov, Vasily Physical Review Materials, Vol. 3, Issue 10 https://doi.org/10.1103/PhysRevMaterials.3.103603	journal	October 2019
Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys Fey, Lauren T. W.; Xu, Shuozhi; Su, Yanqing Physical Review Materials, Vol. 6, Issue 1 https://doi.org/10.1103/PhysRevMaterials.6.013605	journal	January 2022
High-Entropy Alloys: Formation and Properties Gao, Michael C.; Jablonski, Paul D.; Hawk, Jeffrey A. ASME 2018 Symposium on Elevated Temperature Application of Materials for Fossil, Nuclear, and Petrochemical Industries https://doi.org/10.1115/ETAM2018-6732	conference	May 2018
Temperature dependence of elastic and plastic deformation behavior of a refractory high-entropy alloy Lee, Chanho; Kim, George; Chou, Yi Science Advances, Vol. 6, Issue 37 https://doi.org/10.1126/sciadv.aaz4748	journal	September 2020
Maximum strength and dislocation patterning in multi–principal element alloys Cao, Penghui Science Advances, Vol. 8, Issue 45 https://doi.org/10.1126/sciadv.abq7433	journal	November 2022
A fracture-resistant high-entropy alloy for cryogenic applications Gludovatz, B.; Hohenwarter, A.; Catoor, D. Science, Vol. 345, Issue 6201 https://doi.org/10.1126/science.1254581	journal	September 2014
Multiplicity of dislocation pathways in a refractory multiprincipal element alloy Wang, Fulin; Balbus, Glenn H.; Xu, Shuozhi Science, Vol. 370, Issue 6512 https://doi.org/10.1126/science.aba3722	journal	October 2020
On the origins of fatigue strength in crystalline metallic materials Stinville, J. C.; Charpagne, M. A.; Cervellon, A. Science, Vol. 377, Issue 6610 https://doi.org/10.1126/science.abn0392	journal	September 2022
Single-phase high-entropy alloys – an overview Kozak, Roksolana; Sologubenko, Alla; Steurer, Walter Zeitschrift für Kristallographie - Crystalline Materials, Vol. 230, Issue 1 https://doi.org/10.1515/zkri-2014-1739	journal	January 2015
Development and exploration of refractory high entropy alloys—A review Senkov, Oleg N.; Miracle, Daniel B.; Chaput, Kevin J. Journal of Materials Research, Vol. 33, Issue 19 https://doi.org/10.1557/jmr.2018.153	journal	June 2018
Temperature and Stress Dependence of Screw Dislocation Mobility in Nb-V-Ta Alloys Using Kinetic Monte Carlo Simulations Zhou, Xinran; Marian, Jaime Frontiers in Materials, Vol. 8 https://doi.org/10.3389/fmats.2021.801141	journal	December 2021
Exploration and Development of High Entropy Alloys for Structural Applications Miracle, Daniel; Miller, Jonathan; Senkov, Oleg Entropy, Vol. 16, Issue 1 https://doi.org/10.3390/e16010494	journal	January 2014
MoNbTaV Medium-Entropy Alloy Yao, Hongwei; Qiao, Jun-Wei; Gao, Michael Entropy, Vol. 18, Issue 5 https://doi.org/10.3390/e18050189	journal	May 2016
Interplay between Lattice Distortions, Vibrations and Phase Stability in NbMoTaW High Entropy Alloys Körmann, Fritz; Sluiter, Marcel Entropy, Vol. 18, Issue 8 https://doi.org/10.3390/e18080403	journal	August 2016
Vacancy Energetics and Diffusivities in the Equiatomic Multielement Nb-Mo-Ta-W Alloy Zhou, Xinran; He, Sicong; Marian, Jaime Materials, Vol. 15, Issue 15 https://doi.org/10.3390/ma15155468	journal	August 2022
Recent Progress in High-Entropy Alloys Zhang, Li Sheng; Ma, Guo Liang; Fu, Li Chao Advanced Materials Research, Vol. 631-632 https://doi.org/10.4028/www.scientific.net/AMR.631-632.227	journal	January 2013
High-Entropy Alloys – A New Era of Exploitation Yeh, Jien Wei; Chen, Yu Liang; Lin, Su Jien Materials Science Forum, Vol. 560 https://doi.org/10.4028/www.scientific.net/MSF.560.1	journal	November 2007

Similar Records

A coupled vacancy diffusion-dislocation dynamics model for the climb-glide motion of jogged screw dislocations

Journal Article · 2022 · Acta Materialia · OSTI ID:2420815

Li, Yang; Ghoniem, Nasr; Baker, Kristopher; +4 more

Statistical mechanics of kinks on a gliding screw dislocation

Journal Article · 2020 · Physical Review Research · OSTI ID:1807835

Boleininger, Max; Gallauer, Martin; Dudarev, Sergei L.; +3 more

A creep mechanism for metal single crystals

Conference · 1995 · OSTI ID:175407

Cuitino, A M

Related Subjects

36 MATERIALS SCIENCE
Materials Science
Physics

Title: Models of dislocation glide and strengthening mechanisms in bcc complex concentrated alloys

Citation Formats

References (78)

Similar Records

Related Subjects