Journal of ARTICLE scitation.
org/journal/jap
Applied Physics
Shock resistance capability of multi-principal
elemental alloys as a function of lattice distortion
and grain size
Cite as: J. Appl. Phys. 132, 095903 (2022); doi: 10.1063/5.0106637
Submitted: 29 June 2022 · Accepted: 11 August 2022 · View Online Export Citation CrossMark
Published Online: 6 September 2022
Sandeep Kumar Singh and Avinash Parashara)
AFFILIATIONS
Department of Mechanical and Industrial Engineering, Indian Institute of Technology, Roorkee 247667, Uttarakhand, India
Note: This paper is part of the Special Topic on Multi-Principal Element Materials: Structure, Property, and Processing.
a)
Author to whom correspondence should be addressed: [email protected]. Tel.:+91-1332-284801
ABSTRACT
This article aims to study the shock resistance capability of multi-element alloys. In this study, we utilized nonequilibrium molecular
dynamics-based simulations with an embedded atom method potential to predict the deformation governing mechanism in a multi-elemen-
tal alloy system subjected to shock loading. The evolution of shock front width, longitudinal stress, shear stress, and dislocation density were
28 July 2023 15:15:10
investigated for different polycrystalline multi-element systems containing different mean grain sizes of 5, 10, and 18 nm, respectively. In
order to quantify the effect of lattice distortion, average atom (A-atom) potential for quinary (high entropy) and ternary (medium entropy)
configurations was also developed in this work. The random composition of multi-element alloys was replaced with single atom-based
A-atom arrangements to study the effect of lattice distortion on shock resistance capabilities of high entropy alloy and medium entropy
alloy. It was predicted from simulations that a higher value of lattice distortion component in the CoCrCuFeNi alloy leads to provide supe-
rior resistance against shock wave propagation as compared to the ternary alloy CrFeNi. In nanocrystalline configurations, dislocations, and
stacking faults, only dislocations governed the deformation mechanics in monocrystalline configurations. The simulations indicate that
grain size significantly affects the rates of generation of secondary/partial dislocations, hence affecting the stresses and the deformation
mechanism of the structures.
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I. INTRODUCTION and cocktail effects.13,14 It is worth investigating the behavior of
During the last couple of years, researchers have been explor- these materials under high strain or shock compression loading to
ing a new class of material with potential applications in diversified better understand the deformation governing mechanism.15–19 By
employing computational and experimental techniques, many sci-
fields. These new classes of materials are referred to as multi-
entists studied the mechanical and fracture behavior of monocrys-
elemental or high entropy alloys (HEAs).1,2 HEAs are different
from conventional alloys in many aspects. The high configurational tal/bi-crystalline/nanocrystalline materials.20–29
entropy results in a single solid solution rather than an intermetal- Feng et al.30 predicted indentation-induced plasticity in equia-
lic compound in conventional alloys. HEAs possess high mechani- tomic CoCrFeNi alloy nanolaminates. They concluded that stacking
cal strength at significantly high temperatures and exceptional fault strengthening and Shockley partial dislocation density played a
ductility in cryogenic conditions. Unlike conventional alloys, multi- vital role in HEA deformation. Agrawal et al.31 predicted high strain
ple elements in equal proportions (varies from 4 to 13 elements rate deformation behavior in polycrystalline Mg configuration using
arbitrarily) are blended to develop a new type of substitutional molecular dynamics (MD)-based simulations. They applied adaptive
alloy.3–10 These multi-elemental alloys exhibit extraordinary prop- common neighbor analysis (aCNA) to capture the formation and
erties, referred to as “core effects” of high entropy alloys.7 These rate of growth of twin boundaries. Wu et al.32 also employed
core effects are referred to as high entropy of mixing (Δs),11 meager MD-based simulations to reveal the grain size effects on shock-
rate of diffusion,10 significantly high lattice chemical fluctuations,12 induced plasticity in polycrystalline tantalum (Ta). Sichani et al.33
J. Appl. Phys. 132, 095903 (2022); doi: 10.1063/5.0106637 132, 095903-1
Published under an exclusive license by AIP Publishing
