Modeling hardness of polycrystalline materials and bulk metallic glasses
TLDR
In this paper, it was shown that the intrinsic correlation between hardness and elasticity of materials correctly predicts Vickers hardness for a wide variety of crystalline materials as well as bulk metallic glasses (BMGs).About:
This article is published in Intermetallics.The article was published on 2011-09-01 and is currently open access. It has received 1632 citations till now. The article focuses on the topics: Vickers hardness test & Hardness.read more
Citations
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Microscopic theory of hardness and design of novel superhard crystals
Yongjun Tian,Bo Xu,Zhisheng Zhao +2 more
TL;DR: In this article, the authors present three most popular microscopic models based on distinct scaling schemes of this resistance, namely the bond resistance, bond strength, and electronegativity models, with key points during employing these microscopic models addressed.
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High-entropy high-hardness metal carbides discovered by entropy descriptors
Pranab Sarker,Tyler Harrington,Cormac Toher,Corey Oses,Mojtaba Samiee,Jon Paul Maria,Donald W. Brenner,Kenneth S. Vecchio,Stefano Curtarolo,Stefano Curtarolo +9 more
TL;DR: The authors introduce an entropy-forming-ability descriptor capturing the synthesizability of high-entropy materials, and apply the model to the discovery of new refractory metal carbides.
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Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning
Evgeny V. Podryabinkin,Evgeny V. Tikhonov,Evgeny V. Tikhonov,Alexander V. Shapeev,Artem R. Oganov,Artem R. Oganov +5 more
TL;DR: A methodology based on the evolutionary algorithm USPEX and the machine-learning interatomic potentials actively learning on-the-fly allows for an automated construction of an interatomic interaction model from scratch, replacing the expensive density functional theory (DFT) and giving a speedup of several orders of magnitude.
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A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds.
Maarten de Jong,Wei Chen,Randy Notestine,Kristin A. Persson,Kristin A. Persson,Gerbrand Ceder,Gerbrand Ceder,Anubhav Jain,Mark Asta,Mark Asta,Anthony Gamst +10 more
TL;DR: This work presents a SL framework that addresses challenges in materials science applications, where datasets are diverse but of modest size, and extreme values are often of interest.
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First-principles structural design of superhard materials
TL;DR: This work adopted hardness as the fitness function in combination with the first-principles calculation to construct the hardness vs. energy map by seeking a proper balance between hardness and energy for a better mechanical description of given chemical systems.
References
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Book
CRC Handbook of Chemistry and Physics
TL;DR: CRC handbook of chemistry and physics, CRC Handbook of Chemistry and Physics, CRC handbook as discussed by the authors, CRC Handbook for Chemistry and Physiology, CRC Handbook for Physics,
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XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
TL;DR: In this paper, the elastic and plastic properties of pure polycrystalline metals are discussed and a systematic relation between shear modulus, Burgers vector and plastic shear strength of metals possessing the same lattice structure is proposed.
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A quantitative demonstration of the grain boundary diffusion mechanism for the oxidation of metals
TL;DR: In this article, the authors report measurements of the oxide scale thickness and oxide grain size as a function of time during the oxidation of high-purity nickel in the temperature range 500-800°C.
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Prediction of new low compressibility solids.
Amy Y. Liu,Marvin L. Cohen +1 more
TL;DR: The empirical model indicates that hypothetical covalent solids formed between carbon and nitrogen are good candidates for extreme hardness and first principles pseudopotential total energy calculation on the system shows that materials like the prototype can have bulk moduli comparable to or greater than diamond.