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Acta Materialia, ISSN 1359-6454, 04/2015, Volume 88, Issue C, pp. 346 - 354
Atomistic simulations using the embedded atom method were employed to compute the energies of 408 distinct grain boundaries in bcc Fe and Mo. This set includes... 
Grain boundaries | Atomistic calculations | Grain boundary energy | bcc metals | BCC TRANSITION-METALS | MOLYBDENUM | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | FCC METALS | IRON | PARAMETERS | DISTRIBUTIONS | STEEL | NICKEL | CHARACTER | TILT | Energy use | Planes | Lattices | Tilt | Iron | Boundaries | BCC metals
Journal Article
International Materials Reviews, ISSN 0950-6608, 06/2013, Volume 58, Issue 5, pp. 296 - 314
Slip in face centred cubic (fcc) metals is well documented to occur on {111} planes in 〈110〉 directions. In body centred cubic (bcc) metals, the slip direction... 
Ductility | Plasticity | Slip | Dislocations | bcc metals | EXTERNAL SHEAR-STRESS | 1/2 111 DISLOCATIONS | MOLYBDENUM SINGLE-CRYSTALS | MATERIALS SCIENCE, MULTIDISCIPLINARY | PURITY ALPHA-IRON | FE-3 PERCENT SI | SCREW DISLOCATIONS | CENTERED-CUBIC METALS | TENSILE FLOW-STRESS | STRAIN-RATE DEPENDENCE | 573 DEGREES K
Journal Article
Acta Materialia, ISSN 1359-6454, 03/2017, Volume 126, pp. 166 - 173
Till now, it was widely believed that the dislocation strengthening coefficients used in the Taylor-like relation were universal for a given crystallographic... 
Dislocation strengthening | Dislocation dynamics simulations | Slip systems interactions | BCC metals | FCC metals | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | TENSION | MODEL | SINGLE-CRYSTALS | STEEL | MEAN FREE PATHS | JUNCTIONS | POLYCRYSTALS | PLASTICITY | Engineering Sciences | Materials
Journal Article
Nanoscale, ISSN 2040-3364, 05/2018, Volume 10, Issue 17, pp. 8253 - 8268
We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals... 
Grain boundaries | First principles | Computer simulation | Molecular dynamics | Evolutionary algorithms | Computer programs | Tantalum | Phases | Twist boundaries | Computation | Tungsten | Boundary element method | BCC metals
Journal Article
Computational Materials Science, ISSN 0927-0256, 03/2019, Volume 159, pp. 297 - 305
It has been found in a number of computer simulations that the yield criterion for the onset of crystal plasticity of body-centered cubic (bcc) metals... 
Crystal plasticity | Yield criterion | Non-Schmid behavior | BCC metals | Dislocations | STRAIN-RATE | MOLYBDENUM | MATERIALS SCIENCE, MULTIDISCIPLINARY | FLOW-STRESS | GLIDE | DEFORMATION | CENTERED-CUBIC METALS | SCREW DISLOCATION CORE | CRYSTAL PLASTICITY MODEL | TEMPERATURE | NUCLEATION | Structure | Crystals
Journal Article
Nanoscale, ISSN 2040-3364, 01/2018, Volume 10, Issue 17
We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary... 
grain boundary phase | grain boundary structure | evolutionary algorithm | bcc metals
Journal Article
Acta Materialia, ISSN 1359-6454, 2009, Volume 57, Issue 13, pp. 3694 - 3703
The energies of a set of 388 distinct grain boundaries have been calculated based on embedded-atom method interatomic potentials for Ni and Al. The boundaries... 
Molecular statics simulations | Grain boundary energy | Grain boundary structure | MICROSTRUCTURAL EVOLUTION | 001 TWIST BOUNDARIES | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | SYMMETRICAL TILT BOUNDARIES | FCC METALS | SIMULATION | BCC METALS | ALUMINUM | 100 PLANES | GROWTH | 5 MACROSCOPIC PARAMETERS | Surveys | Metal industry
Journal Article
Materials Science & Engineering A, ISSN 0921-5093, 2006, Volume 442, Issue 1, pp. 21 - 30
Heavy interstitial atoms, such as O, N, or C, when dissolved in bcc metals (Fe, Nb, Ta, V), induce elastic dipoles with tetragonal symmetry. The stress induced... 
Snoek peak | Meteorites | Diffusion | Interstitial solute atoms | bcc metals | meteorites | diffusion | DEFECTS | NIOBIUM | CARBON | TANTALUM | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOSCIENCE & NANOTECHNOLOGY | IRON | INTERNAL-FRICTION | ANELASTIC RELAXATION | NITROGEN | ATOMS | OXYGEN-OXYGEN INTERACTION | interstitial solute atoms | Carbon steel | Steel products | Metal industry | Alloys
Journal Article
Computational Materials Science, ISSN 0927-0256, 02/2015, Volume 98, pp. 88 - 92
By means of molecular dynamics simulations it is demonstrated that moving discrete breathers (DBs) can be excited in pure bcc metals such as V, Fe and W. For... 
Molecular dynamics | Nonlinear lattice dynamics | Metal | Discrete breather | BCC lattice | GAP MODES | EXCITATION | INTRINSIC LOCALIZED MODES | MATERIALS SCIENCE, MULTIDISCIPLINARY | GENERATION | LATTICE | Noise levels | Amplitudes | DBS | Iron | Order disorder | BCC metals | Breathers
Journal Article