Enhancing elastic properties of single element amorphous solids through long-range interactions

Moon, Jaeyun; Egami, Takeshi

doi:10.1063/5.0056108

Title: Enhancing elastic properties of single element amorphous solids through long-range interactions

Journal Article · 03 August 2021 · Applied Physics Letters

DOI: https://doi.org/10.1063/5.0056108 · OSTI ID:1813165

^[1];

^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Univ. of Tennessee, Knoxville, TN (United States)

Elastic properties of amorphous solids remain a topic of intense interest due to their important roles in a wide range of applications. Prior works have focused on short-range, local structural features, such as number density and coordination number, to elucidate the underlying mechanism of elastic moduli in glasses. Here, we report strong correlations among the spatial extension of the interatomic potential, elastic moduli, and the coherence lengths of the medium-range structural order through molecular dynamics simulations for single element glasses. Our findings demonstrate an unconventional design principle to engineer elastic properties by extending the medium-range order and provide insights into the microscopic origin of elastic properties in amorphous solids.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1813165

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 5 Vol. 119; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (28)

Molecular Origins of the Mechanical Behavior of Hybrid Glasses Oliver, Mark S.; Dubois, Geraud; Sherwood, Mark Advanced Functional Materials, Vol. 20, Issue 17 https://doi.org/10.1002/adfm.201000558	journal	July 2010
Design of Ultrastiff Organosilicate Hybrid Glasses Kilic, Karsu I.; Dauskardt, Reinhold H. Advanced Functional Materials, Vol. 29, Issue 44 https://doi.org/10.1002/adfm.201904890	journal	August 2019
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Structure of Metallic Alloy Glasses Cargill III, G. S. Solid State Physics https://doi.org/10.1016/S0081-1947(08)60337-9	book	January 1975
Synthesis of quenchable amorphous diamond Zeng, Zhidan; Yang, Liuxiang; Zeng, Qiaoshi Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00395-w	journal	August 2017
Hyperconnected molecular glass network architectures with exceptional elastic properties Burg, Joseph A.; Oliver, Mark S.; Frot, Theo J. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-01305-w	journal	October 2017
High-capacity optical long data memory based on enhanced Young’s modulus in nanoplasmonic hybrid glass composites Zhang, Qiming; Xia, Zhilin; Cheng, Yi-Bing Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03589-y	journal	March 2018
Curie-Weiss behavior of liquid structure and ideal glass state Ryu, C. W.; Dmowski, W.; Kelton, K. F. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-54758-y	journal	December 2019
Bulk nanostructured thermoelectric materials: current research and future prospects Minnich, A. J.; Dresselhaus, M. S.; Ren, Z. F. Energy & Environmental Science, Vol. 2, Issue 5 https://doi.org/10.1039/b822664b	journal	January 2009
Correlations between elastic moduli and molar volume in metallic glasses Wang, J. Q.; Wang, W. H.; Yu, H. B. Applied Physics Letters, Vol. 94, Issue 12 https://doi.org/10.1063/1.3106110	journal	March 2009
Evaluation of copper, aluminum, and nickel interatomic potentials on predicting the elastic properties Rassoulinejad-Mousavi, Seyed Moein; Mao, Yijin; Zhang, Yuwen Journal of Applied Physics, Vol. 119, Issue 24 https://doi.org/10.1063/1.4953676	journal	June 2016
Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods Clavier, G.; Desbiens, N.; Bourasseau, E. Molecular Simulation, Vol. 43, Issue 17 https://doi.org/10.1080/08927022.2017.1313418	journal	May 2017
Thermal Transport in Disordered Materials DeAngelis, Freddy; Muraleedharan, Murali Gopal; Moon, Jaeyun Nanoscale and Microscale Thermophysical Engineering, Vol. 23, Issue 2 https://doi.org/10.1080/15567265.2018.1519004	journal	November 2018
Modified Interionic Potential for the Alkali Metals Shyu, Wei-Mei; Gaspari, G. D. Physical Review, Vol. 163, Issue 3 https://doi.org/10.1103/PhysRev.163.667	journal	November 1967
Screened Interionic Potential of the Simple Metals Shyu, Wei-Mei; Gaspari, G. D. Physical Review, Vol. 170, Issue 3 https://doi.org/10.1103/PhysRev.170.687	journal	June 1968
Liquid structure of the simple alkali metals from a first-principles pseudopotential calculation Day, R. S.; Sun, F.; Cutler, P. H. Physical Review A, Vol. 19, Issue 1 https://doi.org/10.1103/PhysRevA.19.328	journal	January 1979
Glass formation in a simple monatomic liquid with icosahedral inherent local order Dzugutov, Mikhail Physical Review A, Vol. 46, Issue 6 https://doi.org/10.1103/PhysRevA.46.R2984	journal	September 1992
Structure and atomic transport of liquid titanium from a pair potential model Patel, A. B.; Sheng, H. Physical Review B, Vol. 102, Issue 6 https://doi.org/10.1103/PhysRevB.102.064101	journal	August 2020
Equipartition theorem and the dynamics of liquids Levashov, V. A.; Egami, T.; Aga, R. S. Physical Review B, Vol. 78, Issue 6 https://doi.org/10.1103/PhysRevB.78.064205	journal	August 2008
Empirical oscillating potentials for alloys from ab initio fits and the prediction of quasicrystal-related structures in the Al-Cu-Sc system Mihalkovič, Marek; Henley, C. L. Physical Review B, Vol. 85, Issue 9 https://doi.org/10.1103/PhysRevB.85.092102	journal	March 2012
Propagating elastic vibrations dominate thermal conduction in amorphous silicon Moon, Jaeyun; Latour, Benoit; Minnich, Austin J. Physical Review B, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevB.97.024201	journal	January 2018
Ideality of liquid structure: A case study for metallic alloy liquids Ryu, Chae Woo; Dmowski, Wojciech; Egami, Takeshi Physical Review E, Vol. 101, Issue 3 https://doi.org/10.1103/PhysRevE.101.030601	journal	March 2020
Origin of liquid fragility Ryu, Chae Woo; Egami, Takeshi Physical Review E, Vol. 102, Issue 4 https://doi.org/10.1103/PhysRevE.102.042615	journal	October 2020
Elastic Properties of Glasses He, H.; Thorpe, M. F. Physical Review Letters, Vol. 54, Issue 19 https://doi.org/10.1103/PhysRevLett.54.2107	journal	May 1985
Thermal acoustic excitations with atomic-scale wavelengths in amorphous silicon Moon, Jaeyun; Hermann, Raphaël P.; Manley, Michael E. Physical Review Materials, Vol. 3, Issue 6 https://doi.org/10.1103/PhysRevMaterials.3.065601	journal	June 2019
High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys Poudel, B.; Hao, Q.; Ma, Y. Science, Vol. 320, Issue 5876, p. 634-638 https://doi.org/10.1126/science.1156446	journal	May 2008
Why Is the Range of Timescale So Wide in Glass-Forming Liquid? Egami, Takeshi; Ryu, Chae Woo Frontiers in Chemistry, Vol. 8 https://doi.org/10.3389/fchem.2020.579169	journal	September 2020
Local Density Correlations in Liquids Egami, Takeshi Frontiers in Physics, Vol. 8 https://doi.org/10.3389/fphy.2020.00050	journal	February 2020

Similar Records

Short-range correlations control the G/K and Poisson ratios of amorphous solids and metallic glasses

Journal Article · 2014 · Journal of Applied Physics · OSTI ID:22275745

Zaccone, Alessio; Terentjev, Eugene M.

Determining the three-dimensional atomic structure of an amorphous solid

Journal Article · 2021 · Nature (London) · OSTI ID:1823602

Yang, Yao; Zhou, Jihan; Zhu, Fan; +12 more

Engineering medium-range order and polyamorphism in a nanostructured amorphous alloy

Journal Article · 2019 · Communications Physics · OSTI ID:1774502

Lan, Si; Guo, Chunyu; Zhou, Wenzhao; +8 more

Related Subjects

36 MATERIALS SCIENCE

Title: Enhancing elastic properties of single element amorphous solids through long-range interactions

Citation Formats

References (28)

Similar Records

Related Subjects