Horizons of modern molecular dynamics simulation in digitalized solid freeform fabrication with advanced materials

Abstract

Our ability to shape and finish a component by combined methods of fabrication including (but not limited to) subtractive, additive and/or no theoretical mass-loss/addition during the fabrication is now popularly known as solid freeform fabrication. Fabrication of a telescope mirror is a typical example where grinding and polishing processes are first applied to shape the mirror and thereafter an optical coating is usually applied to enhance its optical performance. The area of nanomanufacturing cannot grow without a deep knowledge of the fundamentals of materials and consequently, the use of computer simulations is becoming ubiquitous. This article is intended to introduce the most recent advances in the computation benefit specific to the area of solid freeform fabrication as these systems are traversing through the journey of digitalisation and Industry-4.0. Specifically, this article demonstrates that the application of the latest materials modelling approaches, based on techniques such as molecular Just accepted in Materials Today Chemistry 2 dynamics, are enabling breakthroughs in applied precision manufacturing techniques.

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“…The origin of incipient dislocations site and fundamental reasons of ductile plasticity in a polycrystalline gallium arsenide during scratching is unknown. Therefore, these knowledge gaps prompt the authors to investigate the origin of ductile plasticity in a polycrystalline gallium arsenide by establishing an extreme scratching conditions spanning from 0 nm to 2 nm cut of depth via effective molecular dynamics (MD) simulation technique [19]. The remaining sections of the paper discuss the scratch forces, sub-surface damage, peak cutting temperature, cutting stresses in a polycrystalline substrate benchmarked against a single crystal GaAs substrate.…”

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Powder Bed Fusion Additive Manufacturing Using Critical Raw Materials: A Review

“…Since the production of HEA parts often requires complicated, expensive, and rare pre-alloyed precursor powders, in situ alloying of pre-mixed elemental powder blends seems the most promising synthesis method for this class of materials. In this regard, molecular dynamics simulation can be used as an efficient predictive tool to investigate the mechanical and deposition properties of HEA and other materials [ 252 ].…”