Advances in Molecular Dynamics Simulations Research


Steffen Köhler (Editor)

Series: Chemistry Research and Applications

BISAC: SCI013070

This work presents three chapters, each of which detail a recent advancement in the field of molecular dynamics simulations research. Chapter One describes the molecular dynamics method to simulate the transport processes in nanofluids and the molecular dynamics simulation of transport processes in confined conditions and in nanochannels in particular. Chapter Two provides a comprehensive review on the investigations into the nanoscopic deformation mechanisms of silicon carbide (SiC) and potassium dihydrogen phosphate (KDP) crystals using molecular dynamics simulations under various mechanical loading conditions. Chapter Three reports the effects of pressures applied during rapid solidification of local structures formed in the glassy NiTi alloy based on molecular dynamics simulation results.

Table of Contents


Chapter 1. Molecular Dynamics Modeling Transport Processes of Fluids and Nanofluids in Bulk and Nanochannels
(Valery Rudyak, Alexander Belkin and Sergey Krasnolutskii – Department of Theoretical Mechanics, Novosibirsk State University of Architecture and Civil Engineering, Novosibirsk, Russia, et al.)

Chapter 2. Mechanisms of the Nanoscopic Deformation of SIC and KDP
(Zhonghuai Wu, Shengyao Yang and Liangchi Zhang – Laboratory for Precision and Nano Processing Technologies, School of Mechanical and Manufacturing Engineering, University of New South Wales, NSW, Australia, et al.)

Chapter 3. Molecular Dynamics Simulations of Rapid Solidification of NiTi Alloy under Various Pressure Amounts
(Ridwan, Rizal Arifin and Munaji – Department of Mechanical Engineering, Universitas Muhammadiyah Ponorogo, Ponorogo, Indonesia)


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