Research Papers

Atomistically Informed and Dislocation-Based Viscoplasticity Model for Multilayer Composite Thin Films

[+] Author and Article Information
Mohsen Damadam

School of Mechanical and Materials Engineering,
Washington State University,
Pullman, WA 99163;
Neil Armstrong Hall of Engineering,
Purdue University,
West Lafayette, IN 47906
e-mails: mohsen.damadam@wsu.edu;

Mohammed Anazi, Hussein Zbib

School of Mechanical and Materials Engineering,
Washington State University,
Pullman, WA 99163

Georges Ayoub

Department of Industrial and Manufacturing
Systems Engineering,
University of Michigan,
Ann Arbor, MI 48128

1Corresponding author.

Contributed by the Materials Division of ASME for publication in the JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY. Manuscript received June 12, 2018; final manuscript received November 7, 2018; published online January 31, 2019. Assoc. Editor: Peter W. Chung.

J. Eng. Mater. Technol 141(2), 021010 (Jan 31, 2019) (9 pages) Paper No: MATS-18-1176; doi: 10.1115/1.4042034 History: Received June 12, 2018; Revised November 07, 2018

Nano-scale multilayer composite thin films are potential candidates for coating applications at harsh environments due to their promising mechanical and thermal properties. In this study, a viscoplasticity continuum model based on the plastic flow potential of metal/ceramic nanolayer composites, obtained from molecular dynamics (MD) simulations, is developed to build up a multiscale model bridges atomistic simulation with continuum models for the thin film composites. The model adopts a power law hardening considering confined layer slip (CLS) mechanism and accounts for the evolution of dislocation density based on the statistically stored dislocations and geometrically necessary dislocations. It is then implemented into a finite element code (ls-dyna) to investigate the deformation behavior of nanolayer composites at the macroscale. The deformation behavior of a high strength steel coated with Nb/NbC multilayer is also examined.

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Fig. 1

Schematic bottom–up multiscale modeling framework from nanoscale to macroscale

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Fig. 2

Yield locus of 3 nm NbC/7 nm Nb at 300 K [33]

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Fig. 3

(a) Glide of threading dislocations confined inside Nb and NbC layers (CLS mechanism) and (b) interface structure of Nb/NbC nanocomposite with dislocation nucleation from misfit dislocations

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Fig. 4

A thin film of Nb/NbC multilayer discretized in ls-dyna with gauge length of 30mm×6mm×0.3mm along the x, y, and z directions. A number of elements along the x, y, and z directions are 84, 12, and 6, respectively.

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Fig. 5

Stress–strain curve of Nb/NbC multilayer under uniaxial tension for three different layer thicknesses using m=0.35 at strain rate of 0.0001 s−1 and IDD=1010mm/mm3(a), contour plot of effective plastic strain for the individual layer thickness of 40 nm Nb/40 nm NbC at ε=0.01 (b), and ε=0.03 (c)

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Fig. 6

(a) Effect of IDD on the deformation behavior for individual layer thickness of 40 nm Nb/40 nm NbC using m=0.35 and strain rate of 0.0001 s−1 and (b) evolution of total dislocation density for the stress–strain curves of (a)

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Fig. 7

(a) Deformation behavior at a different strain rate sensitivity for individual layer thickness of 40 nm Nb/40 nm NbC using IDD=1010mm/mm3 and strain rate of 0.0001 s−1 and (b) yield stress versus strain rate sensitivity at two different initial dislocation densities

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Fig. 8

Dislocation density evolution: Statistically stored dislocation density (a), geometrically stored dislocation density (b), effective shear stress versus effective shear strain (c), and resolved shear stress versus effective shear strain (d) for individual layer thickness of 40 nm Nb/40 nm NbC using m=0.35, IDD=1010mm/mm3, and strain rate of 0.0001 s−1

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Fig. 9

(a) Deformation behavior for individual layer thickness of 40 nm Nb/40 nm NbC at different α* using m=0.35, IDD=1010mm/mm3, and strain rate of 0.0001 s−1 and (b) evolution of statistically stored dislocation density for different alpha_star in (b)

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Fig. 10

Steel with 3 mm layer thickness coated with Nb/NbC multilayer with individual layer thickness of 40 nm Nb/40 nm NbC and total thickness of 0.3 mm

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Fig. 11

Deformation behavior of steel coated with Nb/NbC multilayer under uniaxial tension with strain rate of 0.0001 s−1 (hsteel=3mmandhNb/NbC=0.3mm)

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Fig. 12

Schematic illustration of a solid element and adjacent elements with one integration point for estimating the shear strain gradient

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Fig. 13

(a) Elements of steel and Nb/NbC along the thickness, (b) geometrically necessary dislocation density evolution for the steel and Nb/NbC element at the interface, and (c) statistically stored dislocation density evolution for the steel and Nb/NbC element at the interface



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