A metastable phase of shocked bulk single crystal copper: an atomistic simulation study

Abstract

Structural phase transformation in bulk single crystal Cu in different orientation under shock loading of different intensities has been investigated in this article. Atomistic simulations, such as, classical molecular dynamics using embedded atom method (EAM) interatomic potential and ab-initio based molecular dynamics simulations, have been carried out to demonstrate FCC-to-BCT phase transformation under shock loading of 〈100〉 oriented bulk single crystal copper. Simulated x-ray diffraction patterns have been utilized to confirm the structural phase transformation before shock-induced melting in Cu(100).

Fcc→bcc→hcp successive phase transformations in the strained ultrathin copper film: A molecular dynamic simulation study

“…These observations suggest that during stretching deformation along [110] and [111] direction the phase transformations are not thorough and complete. This result is fully consistent with Neogi's simulation investigation on shock-induced phase transformations of single crystal copper [28,29].…”

“…Mitra [28,29] discovered the phase transformation behavior induced by shock compression of single crystal Cu via classical MD simulations as well as ab−initio MD simulations. They found that during shock wave propagation along [100] and…”

Observation of Non‐FCC Copper in Alkynyl‐Protected Cu53Nanoclusters

“…Despite these great progresses, the pursuit of non‐FCC Cu has been unexpectedly sluggish . Till now, the only viable method is to deposit a metastable ultrathin Cu film on another metal substrate (such as W{001}) under ultrahigh vacuum.…”

Observation of Non‐FCC Copper in Alkynyl‐Protected Cu53Nanoclusters

“…Despite these great progresses, the pursuit of non‐FCC Cu has been unexpectedly sluggish . Till now, the only viable method is to deposit a metastable ultrathin Cu film on another metal substrate (such as W{001}) under ultrahigh vacuum.…”

“…[12][13][14][15][16][17][18][19][20][21][22][23][24] Despite these great progresses,the pursuit of non-FCC Cu has been unexpectedly sluggish. [25][26][27] 12 Cl featuring aC u 13 icosahedron core was first reported in 2015. [28] AC u 13 cuboctahedron and Cu 20 NCs were also captured very recently.…”