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1

Behavior of dopant-modified interfaces in metallic nanocrystalline materials

Rahul K. Rajgarhia, Douglas E. Spearot, Ashok Saxena

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2010

Language:

english

File:

PDF, 884 KB

english, 2010

2

Algorithm Development in Computational Materials Science

Zimmerman, Jonathan A., Sabau, Adrian S., Zaeem, Mohsen Asle, Tschopp, Mark A., Spearot, Douglas E.

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2014

Language:

english

File:

PDF, 131 KB

english, 2014

3

A Computational Algorithm to Produce Virtual X-ray and Electron Diffraction Patterns from Atomistic Simulations

Coleman, Shawn P., Sichani, Mehrdad M., Spearot, Douglas E.

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2014

Language:

english

File:

PDF, 5.04 MB

english, 2014

4

A molecular dynamics study of dislocation density generation and plastic relaxation during shock of single crystal Cu

Sichani, Mehrdad M., Spearot, Douglas E.

Journal:

Journal of Applied Physics

Year:

2016

Language:

english

File:

PDF, 1.27 MB

english, 2016

5

Thermodynamics-based stability criteria for constitutive equations of isotropic hyperelastic solids

Upadhyay, Kshitiz, Subhash, Ghatu, Spearot, Douglas

Journal:

Journal of the Mechanics and Physics of Solids

Year:

2019

Language:

english

File:

PDF, 3.73 MB

english, 2019

6

An embedded-atom method potential parameterized for sulfur-induced embrittlement of nickel

Aksoy, Doruk, Dingreville, Rémi, Spearot, Douglas E

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2019

Language:

english

File:

PDF, 1.47 MB

english, 2019

7

Role of grain boundary structure on diffusion and dissolution during Ni/Al nanolaminate combustion

Witbeck, Brandon, Spearot, Douglas E.

Journal:

Journal of Applied Physics

Year:

2020

Language:

english

File:

PDF, 3.24 MB

english, 2020

8

Special issue in honor of David L. McDowell

Douglas E. Spearot, Mark F. Horstemeyer, John Moosbrugger

Journal:

International Journal of Plasticity

Year:

2010

Language:

english

File:

PDF, 152 KB

english, 2010

9

Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum

Douglas E. Spearot, Karl I. Jacob, David L. McDowell

Journal:

Acta Materialia

Year:

2005

Language:

english

File:

PDF, 863 KB

english, 2005

10

Tensile strength of 〈1 0 0〉 and 〈1 1 0〉 tilt bicrystal copper interfaces

Douglas E. Spearot, Mark A. Tschopp, Karl I. Jacob, David L. McDowell

Journal:

Acta Materialia

Year:

2007

Language:

english

File:

PDF, 1.85 MB

english, 2007

11

Non-local separation constitutive laws for interfaces and their relation to nanoscale simulations

Douglas E. Spearot, Karl I. Jacob, David L. McDowell

Journal:

Mechanics of Materials

Year:

2004

Language:

english

File:

PDF, 932 KB

english, 2004

12

Evolution of the E structural unit during uniaxial and constrained tensile deformation

Douglas E. Spearot

Journal:

Mechanics Research Communications

Year:

2008

Language:

english

File:

PDF, 1014 KB

english, 2008

13

Microstructural stability of copper with antimony dopants at grain boundaries: experiments and molecular dynamics simulations

Rahul K. Rajgarhia, Ashok Saxena, Douglas E. Spearot, K. Ted Hartwig, Karren L. More, Edward A. Kenik, Harry Meyer

Journal:

Journal of Materials Science

Year:

2010

Language:

english

File:

PDF, 1.18 MB

english, 2010

14

Molecular Dynamics Simulations of Dislocation Activity in Single-Crystal and Nanocrystalline Copper Doped with Antimony

Rahul K. Rajgarhia, Douglas E. Spearot, Ashok Saxena

Journal:

Metallurgical and Materials Transactions A

Year:

2010

Language:

english

File:

PDF, 493 KB

english, 2010

15

Dislocation nucleation from bicrystal interfaces with dissociated structure

Douglas E. Spearot, Karl I. Jacob, David L. McDowell

Journal:

International Journal of Plasticity

Year:

2007

Language:

english

File:

PDF, 1.08 MB

english, 2007

16

Interatomic potential for copper–antimony in dilute solid–solution alloys and application to single crystal dislocation nucleation

Rahul K. Rajgarhia, Douglas E. Spearot, Ashok Saxena

Journal:

Computational Materials Science

Year:

2009

Language:

english

File:

PDF, 555 KB

english, 2009

17

Heterogeneous dislocation nucleation in single crystal copper–antimony solid-solution alloys

Rajgarhia, Rahul K, Spearot, Douglas E, Saxena, Ashok

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2009

Language:

english

File:

PDF, 646 KB

english, 2009

18

Plastic deformation of nanocrystalline copper-antimony alloys

Rajgarhia, Rahul K., Spearot, Douglas E., Saxena, Ashok

Journal:

Journal of Materials Research

Year:

2010

Language:

english

File:

PDF, 1.91 MB

english, 2010

19

Atomistic Modeling of Grain Boundaries and Dislocation Processes in Metallic Polycrystalline Materials

Spearot, Douglas E., McDowell, David L.

Journal:

Journal of Engineering Materials and Technology

Year:

2009

Language:

english

File:

PDF, 430 KB

english, 2009

20

[American Institute of Aeronautics and Astronautics 44th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference - Norfolk, Virginia ()] 44th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference - MD Simulation of Grain Boundary Fracture in Copper and Connections to Interface Separation Potentials

Spearot, Douglas, Jacob, Karl, McDowell, David

Year:

2003

Language:

english

File:

PDF, 961 KB

english, 2003

21

[American Institute of Aeronautics and Astronautics 45th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics & Materials Conference - Palm Springs, California ()] 45th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics & Materials Conference - Molecular Dynamics Simulations of Grain Boundary Decohesion in FCC Copper and Aluminum

Spearot, Douglas, Jacob, Karl, McDowell, David

Year:

2004

Language:

english

File:

PDF, 410 KB

english, 2004

22

The effect of synthetic driving force on the atomic mechanisms associated with grain boundary motion below the interface roughening temperature

Coleman, Shawn P., Spearot, Douglas E., Foiles, Stephen M.

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 1.88 MB

english, 2014

23

Phase transformation in monolayer molybdenum disulphide (MoS2) under tension predicted by molecular dynamics simulations

Dang, Khanh Q., Simpson, Joseph P., Spearot, Douglas E.

Journal:

Scripta Materialia

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

24

Molecular dynamics simulation of O 2 diffusion in polydimethylsiloxane (PDMS) and end-linked PDMS networks

Ullal, Varun, Spearot, Douglas E.

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 639 KB

english, 2014

25

Atomistic simulation and virtual diffraction characterization of stable and metastable alumina surfaces

Coleman, Shawn P., Spearot, Douglas E.

Journal:

Acta Materialia

Year:

2014

Language:

english

File:

PDF, 3.95 MB

english, 2014

26

Molecular Dynamics Simulation of Nanoconfinement Induced Organization of n -Decane

Kalyanasundaram, Valliappa, Spearot, Douglas E., Malshe, Ajay P.

Journal:

Year:

2009

Language:

english

File:

PDF, 4.83 MB

english, 2009

27

[IEEE 2011 IEEE International Conference on Nano/Micro Engineered and Molecular Systems (NEMS) - Kaohsiung, Taiwan (2011.02.20-2011.02.23)] 2011 6th IEEE International Conference on Nano/Micro Engineered and Molecular Systems - Nano-Particle Polymer Composite MEMS corrosion

Pan, Feng, Spence, Heather, Spearot, Douglas, Huang, Adam

Year:

2011

Language:

english

File:

PDF, 538 KB

english, 2011

28

Effect of point and grain boundary defects on the mechanical behavior of monolayer MoS2 under tension via atomistic simulations

Dang, Khanh Q., Spearot, Douglas E.

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 1.95 MB

english, 2014

29

[IEEE 2008 8th IEEE Conference on Nanotechnology (NANO) - Arlington, Texas, USA (2008.08.18-2008.08.21)] 2008 8th IEEE Conference on Nanotechnology - Experimental Characterization of DNA/CNT Hybrid Structures with Atomic Force Microscope

Rokadia, Husein, Tung, Steve, Spearot, Douglas

Year:

2008

Language:

english

File:

PDF, 2.07 MB

english, 2008

30

Molecular dynamics simulation of diffusion of small atmospheric penetratesin polydimethylsiloxane

Sudibjo, Alexander, Spearot, Douglas E.

Journal:

Molecular Simulation

Year:

2011

Language:

english

File:

PDF, 293 KB

english, 2011

31

Atomistic simulation and virtual diffraction characterization of homophase and heterophase alumina interfaces

Coleman, Shawn P., Spearot, Douglas E.

Journal:

Acta Materialia

Year:

2015

Language:

english

File:

PDF, 3.51 MB

english, 2015

32

Molecular Dynamics Simulations of Diffusion of O2 and N2 Penetrants in Polydimethylsiloxane-Based Nanocomposites

Spearot, Douglas E., Sudibjo, Alex, Ullal, Varun, Huang, Adam

Journal:

Journal of Engineering Materials and Technology

Year:

2012

Language:

english

File:

PDF, 2.91 MB

english, 2012

33

Melting of Ni and Fe Nanoparticles: A Molecular Dynamics Study with Application to Carbon Nanotube Synthesis

Joshi, Nikhil P., Spearot, Douglas E., Bhat, Deepak

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2010

Language:

english

File:

PDF, 1.91 MB

english, 2010

34

[ACM Press the 2014 Annual Conference - Atlanta, GA, USA (2014.07.13-2014.07.18)] Proceedings of the 2014 Annual Conference on Extreme Science and Engineering Discovery Environment - XSEDE '14 - Performance Improvement and Workflow Development of Virtual Diffraction Calculations

Coleman, Shawn P., Pamidighantam, Sudhakar, Van Moer, Mark, Wang, Yang, Koesterke, Lars, Spearot, Douglas E.

Year:

2014

Language:

english

File:

PDF, 375 KB

english, 2014

35

Fracture mechanics of monolayer molybdenum disulfide

Wang, Xiaonan, Tabarraei, Alireza, Spearot, Douglas E

Journal:

Year:

2015

Language:

english

File:

PDF, 2.72 MB

english, 2015

36

A molecular dynamics study of the role of grain size and orientation on compression of nanocrystalline Cu during shock

Sichani, Mehrdad M., Spearot, Douglas E.

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 2.36 MB

english, 2015

37

Traction–separation relationships for hydrogen induced grain boundary embrittlement in nickel via molecular dynamics simulations

Barrows, Wesley, Dingreville, Rémi, Spearot, Douglas

Journal:

Materials Science and Engineering: A

Year:

2016

Language:

english

File:

PDF, 5.61 MB

english, 2016

38

Effect of Deformation Path Sequence on the Behavior of Nanoscale Copper Bicrystal Interfaces

Spearot, Douglas E., Jacob, Karl I., McDowell, David L., Plimpton, Steven J.

Journal:

Journal of Engineering Materials and Technology

Year:

2005

Language:

english

File:

PDF, 621 KB

english, 2005

39

SPIE Proceedings [SPIE SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring - San Diego, California (Sunday 11 March 2012)] Sensors and Smart Structures Technologies for Civil, Mechanical, and Aerospace Systems 2012 - Swell-based in situ oxide removal methods for PDMS-copper particle composite corrosion sensing elements

Yang, Teng, Pan, Feng, Hutson, Jeremy, Srinivas, Keerthi, King, Jerry, Spearot, Douglas, Huang, Adam, Tomizuka, Masayoshi, Yun, Chung-Bang, Lynch, Jerome P.

Year:

2012

Language:

english

File:

PDF, 630 KB

english, 2012

40

Phase-field models for simulating physical vapor deposition and grain evolution of isotropic single-phase polycrystalline thin films

Stewart, James A., Spearot, Douglas E.

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 1.24 MB

english, 2016

41

Phase-field simulations of microstructure evolution during physical vapor deposition of single-phase thin films

Stewart, James A., Spearot, Douglas E.

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 1.41 MB

english, 2017

42

Two-dimensional MoS 2 under ion irradiation: from controlled defect production to electronic structure engineering

Ghorbani-Asl, Mahdi, Kretschmer, Silvan, Spearot, Douglas E, Krasheninnikov, Arkady V

Journal:

Year:

2017

Language:

english

File:

PDF, 5.14 MB

english, 2017

43

[ASME ASME 2005 International Mechanical Engineering Congress and Exposition - Orlando, Florida, USA (November 5 – 11, 2005)] Materials - Molecular Dynamics Simulations of Dislocation Nucleation From Bicrystal Interfaces in FCC Metals

Spearot, Douglas E., Jacob, Karl I., McDowell, David L.

Year:

2005

Language:

english

File:

PDF, 669 KB

english, 2005

44

Shock compression of Cu x Zr100−x metallic glasses from molecular dynamics simulations

Wen, Peng, Demaske, Brian, Spearot, Douglas E., Phillpot, Simon R.

Journal:

Journal of Materials Science

Year:

2017

Language:

english

File:

PDF, 4.28 MB

english, 2017

45

Nanoscale Dislocation Shear Loops at Static Equilibrium and Finite Temperature

Dang, Khanh, Capolungo, Laurent, Spearot, Douglas

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2017

Language:

english

File:

PDF, 1.35 MB

english, 2017

46

Physical vapor deposition of multiphase materials with phase nucleation via a coupled phase-field approach

Stewart, James A., Spearot, Douglas E.

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 1.44 MB

english, 2018

47

Pressure Dependence of the Peierls Stress in Aluminum

Dang, Khanh, Spearot, Douglas

Journal:

Year:

2018

Language:

english

File:

PDF, 768 KB

english, 2018

48

Atomic-level deformation of Cu x Zr 100-x metallic glasses under shock loading

Demaske, Brian J., Phillpot, Simon R., Spearot, Douglas E.

Journal:

Journal of Applied Physics

Year:

2018

Language:

english

File:

PDF, 4.47 MB

english, 2018

49

Influence of vacancy defect concentration on the combustion of reactive Ni/Al nanolaminates

Witbeck, Brandon, Sink, Jake, Spearot, Douglas E.

Journal:

Journal of Applied Physics

Year:

2018

Language:

english

File:

PDF, 2.48 MB

english, 2018

50

Simulation of kinematic Kikuchi diffraction patterns from atomistic structures

Herron, Adam D., Coleman, Shawn P., Dang, Khanh Q., Spearot, Douglas E., Homer, Eric R.

Journal:

Year:

2018

Language:

english

File:

PDF, 13.41 MB

english, 2018