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Article
Influence of control parameters on accuracy and reliability of the jet-dispensing process
Jet-dispensing technology is increasingly applied in electronic fabrication because of its high productivity characteristics, and these applications require a high degree of accuracy in the position of the liq...
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Article
Nanoscale friction behavior and deformation during copper chemical mechanical polishing process
The mechanical characteristics and deformation behavior of Cu material under the nanoscratching through a diamond tooltip on the workpiece are studied using molecular dynamics (MD) simulation. Effects of scrat...
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Chapter and Conference Paper
Mechanical Property and Thermal Conductivity of Gallium Selenide Monolayer with Various Centred Oblique Line Defects
This work reviews the mechanical property (MP) and thermal conductivity (TC) of GaSe monolayer (GSM) employing molecular dynamics (MD) and non-equilibrium MD (NEMD) simulations. A tilting angle line-defect eng...
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Article
Investigation of the deformation behavior and mechanical characteristics of polycrystalline chromium–nickel alloys using molecular dynamics
In this study, the mechanical properties and plastic deformation responses of nanocrystalline Cr–Ni alloy were investigated via tensile tests by molecular dynamics (MD) simulation. The effect of various compos...
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Article
Open AccessThermal and mechanical characterization of nanoporous two-dimensional MoS2 membranes
For practical application, determining the thermal and mechanical characterization of nanoporous two-dimensional MoS2 membranes is critical. To understand the influences of the temperature and porosity on the mec...
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Article
Open AccessMechanical and thermal characterizations of nanoporous two-dimensional boron nitride membranes
Hexagonal boron nitride (h-BN) is a promising 2D material due to its outstanding mechanical and thermal properties. In the present study, we use molecular dynamics simulations to investigate the influence of p...
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Article
Open AccessPhase transformation and subsurface damage formation in the ultrafine machining process of a diamond substrate through atomistic simulation
This report explores the effects of machining depth, velocity, temperature, multi-machining, and grain size on the tribological properties of a diamond substrate. The results show that the appearance of graphi...
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Article
Open AccessMicrostructure and composition dependence of mechanical characteristics of nanoimprinted AlCoCrFeNi high-entropy alloys
Molecular dynamics is applied to explore the deformation mechanism and crystal structure development of the AlCoCrFeNi high-entropy alloys under nanoimprinting. The influences of crystal structure, alloy compo...
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Article
Open AccessUnderstanding porosity and temperature induced variabilities in interface, mechanical characteristics and thermal conductivity of borophene membranes
Evaluating the effect of porosity and ambient temperature on mechanical characteristics and thermal conductivity is vital for practical application and fundamental material property. Here we report that ambien...
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Chapter and Conference Paper
Mechanical Responses of Single-Layer Borophene Under Nanoindentation Using Molecular Dynamics
This study surveyed the mechanical characteristics of a single-layer borophene under nanoindentation by using molecular dynamics. These simulations used a spherical and a conical diamond as indenters, the inde...
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Article
Mechanistic Insights and Photodegradation of Heterostructure Graphene Oxide/Titanium Dioxide
In this study, the electrospinning method was used to prepare graphene oxide/titanium dioxide (GO/TiO2) nanofibers with different contents of GO as photocatalysts used to degrade methylene blue (MB). Photocatalyt...
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Article
Open AccessEffects of temperature and intrinsic structural defects on mechanical properties and thermal conductivities of InSe monolayers
We conduct molecular dynamics simulations to study the mechanical and thermal properties of monolayer indium selenide (InSe) sheets. The influences of temperature, intrinsic structural defect on the tensile pr...
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Article
Nanowelding of nickel and copper investigated using quasi-continuum simulations
The effects of contact interference, crystal orientation, and material type on the cold nanowelding mechanism and mechanics are studied using quasi-continuum simulations. These effects are investigated in term...
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Article
Annealing effect on electrical, nanomechanical and sensing properties of ZnO/Mo/ZnO nanofilms
Multilayer film of zinc oxide (ZnO)/molybdenum (Mo)/ZnO was prepared by radio-frequency magnetron sputtering. We studied the optical, electrical, structural, nanomechanical properties, and sensing characterist...
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Article
Quasi-continuum simulations of side-to-side nanowelding of metals
The effects of contact length, crystal orientation, and material type of welded pairs on side-to-side nanowelding are studied using quasi-continuum simulations. These effects are investigated in terms of atomi...
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Article
Physical Characteristics of Ni x Zr100–x Alloys Based on Stretching and Heating Processes Using Molecular Dynamics Simulation
The physical characteristics of Ni x Zr100–x proportions based on stretching and heating processes were investigated using molecular dynamics (MD) simulation. The physical charac...
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Article
Open AccessHigh-Sensitive Ultraviolet Photodetectors Based on ZnO Nanorods/CdS Heterostructures
The ultraviolet (UV) photodetectors with ZnO nanorods (NRs)/CdS thin film heterostructures on glass substrates have been fabricated and characterized. It can be seen that the UV photoresponsivity of such a dev...
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Article
Tensile fracture of graphene nanoribbons encapsulated in single-walled carbon nanotubes
In this paper, we performed molecular dynamics simulations to study the fracture characteristics of a graphene nanoribbon encapsulated in a single-walled carbon nanotube (GNR@SWCNT) subjected to a uniaxial ten...
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Article
Open AccessRolling Resistance and Mechanical Properties of Grinded Copper Surfaces Using Molecular Dynamics Simulation
Mechanical properties of copper (Cu) film under grinding process were accomplished by molecular dynamics simulation. A numerical calculation was carried out to understand the distributions of atomic and slip v...
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Article
Size effect on cold-welding of gold nanowires investigated using molecular dynamics simulations
The size effect on the cold-welding mechanism and mechanical properties of Au nanowires (NWs) in head-to-head contact are studied using molecular dynamics simulations based on the second-moment approximation o...
