Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology

QR Code

Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology

Dislocations influence many properties of crystalline solids, including plastic deformation, growth and dissolution, diffusion and the formation of polytypes. Some of these processes can be described using continuum methods but this approach fails when a description of the structure of the core is r...

Full description

Bibliographic Details
Main Authors:	Gale, Julian, Wright, Kathleen, Walker, A., Slater, B.
Format:	Journal Article
Published:	Royal Society of Chemistry 2005
Online Access:	http://hdl.handle.net/20.500.11937/47678

Similar Items

Atomic scale modelling of the cores of dislocations in complex materials part 2: applications
by: Gale, Julian, et al.
Published: (2005)

Predicting the structure of screw dislocations in nanoporous materials
by: Walker, A., et al.
Published: (2004)

Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion
by: Zhang, Feiwu, et al.
Published: (2010)

Large scale atomistic simulation with electrostatics: The case of cation impurity segregation along an edge dislocation line
by: Zhang, F., et al.
Published: (2010)

Atomic-scale to mesoscale simulation of mineral growth and dissolution reactions
by: Stack, A., et al.
Published: (2014)

Nuclear reactor materials at the atomic scale
by: Marquis, E., et al.
Published: (2009)

General methodology to estimate the dislocation density from microhardness measurements
by: Ameri, Ali Abbas Hussei, et al.
Published: (2017)

Nanogeochronology of discordant zircon measured by atom probe microscopy of Pb-enriched dislocation loops
by: Peterman, E., et al.
Published: (2016)

The application of propagating exterior complex scaling to atomic collisions
by: Bartlett, P., et al.
Published: (2009)

The interaction of dolomite surfaces with metal impurities: a computer simulation study
by: Wright, Kathleen, et al.
Published: (2005)

Lattice dynamics from force-fields as a technique for mineral physics
by: Gale, Julian, et al.
Published: (2010)

A first principles study of the distribution of iron in sphalerite
by: Wright, Kathleen, et al.
Published: (2010)

Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?
by: Reischl, Bernhard, et al.
Published: (2016)

Atomistic models of carbonate minerals: bulk and surface structures, defects, and diffusion
by: Cygan, R., et al.
Published: (2002)

Atomic-column scanning transmission electron microscopy analysis of misfit dislocations in GaSb/ GaAs quantum dots
by: Delgado, N. Fernandez, et al.
Published: (2016)

Elastic dislocation modelling for prediction of small-scale fault and fracture network characteristics
by: Dee, S., et al.
Published: (2007)

Dislocation generated by electron irradiation
by: -, Suryanto
Published: (2012)

A computer simulation study of OH defects inMg2SiO4 and Mg2GeO4 spinels
by: Wright, Kathleen, et al.
Published: (2005)

Atomistic simulation of Mg2SiO4 and Mg2GeO4 spinels: a new model
by: Wright, Kathleen, et al.
Published: (2005)

Incorporation of Y and REEs in aluminosilicate garnet: Energetics from atomistic simulation
by: Carlson, W., et al.
Published: (2014)

Elucidating "screw dislocation"-driven film formation of sodium thiosulphate with complex hierarchical molecular assembly
by: Dwivedi, D., et al.
Published: (2017)

A computational study of magnesium point defects and diffusion in forsterite
by: Walker, A., et al.
Published: (2009)

Comparing Postcolonial Literatures: Dislocations. (review)
by: Newman, Judie
Published: (2002)

A rare variant of knee dislocation
by: Hussin, Paisal, et al.
Published: (2016)

Congenital knee dislocation with underlying arthrogryposis
by: Kamisan, Norazian, et al.
Published: (2024)

Dislocation Density-Based Finite Element Models for Viscoplasticity and Creep of High-Temperature Materials
by: Al-Abedy, Hiydar Kireem Musraa
Published: (2020)

Personalised learning environments – Part 1: core development issues for construction
by: Syed Khuzzan Alhabshi, Sh Mazlina, et al.
Published: (2008)

A first principles determination of the orientation of H3O+ in hydronium
by: Gale, Julian, et al.
Published: (2010)

SIESTA: A Linear-Scaling Method for Density Functional Calculations
by: Gale, Julian
Published: (2011)

Prospects for atomic magnetometers employing hollow core optical fibre
by: Ironside, Charlie, et al.
Published: (2012)

Interaction between the edge dislocation dipole pair and interfacial misfit dislocation network in Ni-based single crystal superalloys
by: Zhang, Z., et al.
Published: (2021)

Interatomic Potential Models for Ionic Materials
by: Gale, Julian
Published: (2005)

Comparison of embedded atom method potentials for small aluminium cluster simulations
by: Budi, A., et al.
Published: (2009)

Effect of hydrogen on dislocation nucleation in alloy 718
by: Stenerud, G., et al.
Published: (2017)

Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite
by: Spagnoli, Dino, et al.
Published: (2010)

Calculation of the energetics of water incorporation in majorite garnet
by: Pigott, J., et al.
Published: (2015)

Structural optimisation of random discontinuous fibre composites: Part 1 – Methodology
by: Qian, C.C., et al.
Published: (2015)

Developing community codes for materials modeling
by: Plimpton, S., et al.
Published: (2013)

An edge dislocation in a semi-infinite elastic wedge
by: Karuppanan , S, et al.
Published: (2008)

Connection and curvature in crystals with non-constant dislocation density
by: Parry, Gareth P., et al.
Published: (2019)

Cannot write session to /tmp/vufind_sessions/sess_oakqu4of9lpl1un4hchidnp6vv