Simulating Nanoindentation of Thin Cu Films Using Molecular Dynamics and Peridynamics

Nanoindentation is a useful experimental method to characterize the micromechanical properties of materials. In this study molecular dynamics and peridynamics are used to simulate nanoindentation, with a spherical indenter targeting a thin single crystal Cu film, resting on an infinitely stiff substrate. The objective is to compare the results obtained from molecular dynamic simulations to those obtained using a peridynamic approach as regards the force-displacement curves and the deformation patterns after that the material parameters in the peridynamic model have been fitted to the force displacement curve from the molecular dynamic simulation.

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Molecular dynamic simulations of pressure-driven water transport through polyamide nanofiltration membranes at different membrane densities

RSC Advances ◽

10.1039/c6ra12115b ◽

2016 ◽

Vol 6 (68) ◽

pp. 63586-63596 ◽

Cited By ~ 8

Author(s):

Luying Wang ◽

Randall S. Dumont ◽

James M. Dickson

Keyword(s):

Molecular Dynamics ◽

Porous Structure ◽

Molecular Dynamic ◽

Water Transport ◽

Aromatic Polyamide ◽

Molecular Dynamic Simulations ◽

Nanofiltration Membranes ◽

Dynamic Simulations ◽

Dynamics Simulations ◽

Pressure Driven

The amorphous aromatic polyamide membranes with different membrane densities were modeled to study the porous structure of free-volume pores and the pressure-driven water transport by using molecular dynamics simulations.

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Molecular dynamics investigations of an indicator displacement assay mechanism in a liquid crystal sensor

Physical Chemistry Chemical Physics ◽

10.1039/c7cp02292a ◽

2017 ◽

Vol 19 (35) ◽

pp. 23924-23933 ◽

Cited By ~ 7

Author(s):

Qingyu Liu ◽

Fang Zuo ◽

Zhigang Zhao ◽

Junxian Chen ◽

Dingguo Xu

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamic ◽

Sensor System ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Competition Mechanism ◽

Binding Competition ◽

System P ◽

Displacement Assay

Molecular dynamic simulations were applied to address the binding competition mechanism in an IDA based LC sensor system.

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Molecular dynamics study on cold-welding of 3D nanoporous composite structures

Physical Chemistry Chemical Physics ◽

10.1039/c8cp01368c ◽

2018 ◽

Vol 20 (17) ◽

pp. 12288-12294 ◽

Cited By ~ 8

Author(s):

Hongjian Zhou ◽

Jiejie Li ◽

Yuehui Xian ◽

Runni Wu ◽

Guoming Hu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamic ◽

Composite Structures ◽

Molecular Dynamic Simulations ◽

Cold Welding ◽

Dynamic Simulations ◽

Effects Of Temperature

Molecular dynamic simulations were used to explore the effects of temperature on cold-welding of nanoporous composite structures.

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Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions

Physical Chemistry Chemical Physics ◽

10.1039/c9cp06584a ◽

2020 ◽

Vol 22 (19) ◽

pp. 10431-10437 ◽

Cited By ~ 8

Author(s):

Sung Sakong ◽

Axel Groß

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Molecular Dynamic ◽

Metal Electrode ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Dynamics Simulations

Water structures on a Pt(111) metal electrode critically depend on the electrochemical conditions, as shown by ab initio molecular dynamics simulations.

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Molecular Dynamics Simulation of a Rigid Sphere Indenting a Copper Substrate

ASME/STLE 2012 International Joint Tribology Conference ◽

10.1115/ijtc2012-61079 ◽

2012 ◽

Author(s):

Ding Jia ◽

Longqiu Li ◽

Andrey Ovcharenko ◽

Wenping Song ◽

Guangyu Zhang

Keyword(s):

Molecular Dynamics ◽

Md Simulation ◽

Copper Substrate ◽

Three Dimensional ◽

Atomic Scale ◽

Dynamics Simulation ◽

Rigid Sphere ◽

Displacement Curve ◽

Loading And Unloading ◽

Force Displacement

Three-dimensional molecular dynamics (MD) simulation is used to study the atomic-scale indentation process of a spherical diamond tip in contact with a copper substrate. In the indentation simulations, the force-displacement curve is obtained and compared with a modified elastic solution of Hertz. The contact area under different indentation depths is also investigated. The force-displacement curve under different maximum indentation depths is obtained to investigate elastic-plastic deformation during the loading and unloading processes.

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Molecular Dynamics Study of Cu Thin Film Deposition onβ-Ta

MRS Proceedings ◽

10.1557/proc-721-j2.3 ◽

2002 ◽

Vol 721 ◽

Cited By ~ 3

Author(s):

Peter Klaver ◽

Barend J. Thijsse

Keyword(s):

Molecular Dynamics ◽

Thin Film Deposition ◽

Film Deposition ◽

Boundary Structure ◽

Cu Films ◽

Grain Boundary Structure ◽

Cu Film ◽

Cu Thin Film ◽

Dynamics Simulations ◽

Atomically Flat

AbstractMolecular Dynamics simulations were performed to study Cu film deposition on β-Ta. Three different β-Ta surfaces were used, two being atomically flat, and one resulting from Ta on Ta growth. We find that the Cu films develop a (111) texture with vertical grain boundaries between grains having different epitaxial relations with the β-Ta substrate. The epitaxial rotation angles were determined, as 5.2° and 10-13°, and the resulting strain reductions in the Cu films were identified. The effects of the substrate differences on the interfacial Ta/Cu intermixing and the epitaxy and grain boundary structure of the films are discussed.

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Nanoindentation of Thin Copper Coatings

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.592-593.417 ◽

2013 ◽

Vol 592-593 ◽

pp. 417-420

Author(s):

Per Hansson ◽

Maria Jansson

Keyword(s):

Molecular Dynamics ◽

Periodic Boundary ◽

Periodic Boundary Conditions ◽

Displacement Curve ◽

Thin Coating ◽

Displacement Control ◽

Plastic Properties ◽

Copper Coatings ◽

Geometrical Features ◽

Force Displacement

The structure of interest is a thin, metallic coating of fcc copper, of thickness down to a few nanometers only, resting on a stiffer substrate. The elastic and plastic properties of the thin coating using nanoindentation under different geometrical features such as size of the indenter and coating thickness are determined. The force-displacement curve is monitored during indentation and the precise conditions for the occurrence of so called pop-ins during loading are investigated. To simulate the nanoindentation process, a molecular dynamics approach is used, where an infinitely stiff indenter is pushed into the coating under displacement control. The coating is modeled as a thin rectangular plate, with the bottom atom layers locked from movement, simulating the stiffer substrate, and periodic boundary conditions in the plane of the plate are applied.

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Materials Testing Fundamentals

10.31399/asm.tb.mpktmse.t56010001 ◽

2021 ◽

pp. 1-18

Keyword(s):

Tensile Testing ◽

Measurement Data ◽

Test Sample ◽

Tensile Tests ◽

True Stress ◽

Materials Testing ◽

Displacement Curve ◽

Properties Of Materials ◽

Modulus Of Resilience ◽

Force Displacement

Abstract Product design requires an understanding of the mechanical properties of materials, much of which is based on tensile testing. This chapter describes how tensile tests are conducted and how to extract useful information from measurement data. It begins with a review of the different types of test equipment used and how they compare in terms of loading force, displacement rate, accuracy, and allowable sample sizes. It then discusses the various ways tensile measurements are plotted and presents examples of each method. It examines a typical load-displacement curve as well as engineering and true stress-strain curves, calling attention to certain points and features and what they reveal about the test sample and, in some cases, the cause of the behavior observed. It explains, for example, why some materials exhibit discontinuous yielding while others do not, and in such cases, how to determine when yielding begins. It also explains how to determine other properties via tensile tests, including ductility, toughness, and modulus of resilience.

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