On hardening silver nanocubes by high-velocity impacts: a fully atomistic molecular dynamics investigation

Author(s)

Oliveira, Eliezer Fernando ^{[1, 2]} ; da Silva Autreto, Pedro Alves ^{[1, 3]} ; Galvo, Douglas Soares ^{[1, 2]}

Affiliation

^[1] Univ Campinas UNICAMP, Gleb Wataghin Inst Phys, Campinas, SP - Brazil

^[2] Univ Campinas UNICAMP, CCES, Campinas, SP - Brazil

^[3] Fed Univ ABC UFABC, Ctr Nat Human Sci, Santo Andre, SP - Brazil

• Document type: Journal article
• Source: Journal of Materials Science; v. 53, n. 10, p. 7486-7492, MAY 2018.
• Web of Science Citations: 2

Abstract

Gradient nanograins (GNG) creation in metals has been a promising approach to obtain ultra-strong materials. Recently, R. Thevamaran et al. (Science 354:312 in 2016) proposed a single-step method based on high-velocity impacts of silver nanocubes (SNC) to produce almost perfect GNG. However, after certain time, these grains spontaneously coalesce, which compromises the induced hardening and other mechanical properties. To better understand these processes, a detailed investigation at the atomic scale of the deformation/hardening mechanisms are needed, which is one of the objectives of the present work. We carried out fully atomistic molecular dynamics (MD) simulations of silver nanocubes at high impact velocity values using realistic structural models. Our MD results suggest that besides the GNG mechanisms, the observed SNC hardening could be also the result of the existence of polycrystalline arrangements formed by HCP domains encapsulated by FCC ones in the smashed SNC. This can be a new way to design ultra-strong materials, even in the absence of GNG domains. (AU)

• FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
• Grantee: Munir Salomao Skaf
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 16/18499-0 - Investigation on the structural, mechanical and functional properties of carbon-based nanostructures
• Grantee: Eliezer Fernando de Oliveira
• Support Opportunities: Scholarships in Brazil - Post-Doctoral