Computational Analysis Methods in Atomistic Modeling of Crystals

Mechanical response of nanoporous gold

(2013) Diana Farkas et al.   ACTA MATERIALIA

Active slip systems in bcc iron during nanoindentation: A molecular dynamics study

(2013) N. Naveen Kumar et al.   COMPUTATIONAL MATERIALS SCIENCE

On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip

(2013) Jonathan Schäfer et al.   JOURNAL OF APPLIED PHYSICS

Topological fingerprints for intermetallic compounds for the automated classification of atomistic simulation data

(2013) T Schablitzki et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Thermodynamic and mechanical properties of copper precipitates inα-iron from atomistic simulations

(2013) Paul Erhart et al.   PHYSICAL REVIEW B

Atomistic simulation of the mechanical response of a nanoporous body-centered cubic metal

(2013) C.J. Ruestes et al.   SCRIPTA MATERIALIA

Discovering crystals using shape matching and machine learning

(2013) Carolyn L. Phillips et al.   Soft Matter

Geometric characterization of nanoporous metals

(2012) Jonah Erlebacher et al.   ACTA MATERIALIA

A novel approach to study dislocation density tensors and lattice rotation patterns in atomistic simulations

(2012) C. Begau et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

On the elastic–plastic decomposition of crystal deformation at the atomic scale

(2012) A Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Automated identification and indexing of dislocations in crystal interfaces

(2012) Alexander Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Structure identification methods for atomistic simulations of crystalline materials

(2012) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys

(2012) Babak Sadigh et al.   PHYSICAL REVIEW B

Characterizing complex particle morphologies through shape matching: Descriptors, applications, and algorithms

(2011) Aaron S. Keys et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Deformation behavior of bulk and nanostructured metallic glasses studied via molecular dynamics simulations

(2011) D. Şopu et al.   PHYSICAL REVIEW B

Atomistic processes of dislocation generation and plastic deformation during nanoindentation

(2010) C. Begau et al.   ACTA MATERIALIA

Dislocation detection algorithm for atomistic simulations

(2010) Alexander Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Extracting dislocations and non-dislocation crystal defects from atomistic simulation data

(2010) Alexander Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Nanotwinned fcc metals: Strengthening versus softening mechanisms

(2010) A. Stukowski et al.   PHYSICAL REVIEW B

Atomistic origin of microstrain broadening in diffraction data of nanocrystalline solids

(2009) A. Stukowski et al.   ACTA MATERIALIA

From nanoglasses to bulk massive glasses

(2009) D. Şopu et al.   APPLIED PHYSICS LETTERS

Shear deformation kinematics of bicrystalline grain boundaries in atomistic simulations

(2009) G J Tucker et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

An atomistic-to-continuum coupling method for heat transfer in solids

(2008) G.J. Wagner et al.   COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

Deformation gradients for continuum mechanical analysis of atomistic simulations

(2008) Jonathan A. Zimmerman et al.   INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES