List of works - Andrew M Walker

A computational study of magnesium point defects and diffusion in forsterite

scholarly article by Andrew M Walker et al published January 2009 in Physics of the Earth and Planetary Interiors

Ab initio crystal structure and elasticity of tuite, γ-Ca3(PO4)2, with implications for trace element partitioning in the lower mantle ⬇️

scientific article

Analytical parametrization of self-consistent polycrystal mechanics: Fast calculation of upper mantle anisotropy ⬇️

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

scientific article published on 3 August 2005

Atomic scale modelling of the cores of dislocations in complex materials part 2: applications

scientific article published on 3 August 2005

Bulk and Surface Simulation Studies of La1-xCaxMnO3

Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion

Evaluating post-perovskite as a cause of D′′ anisotropy in regions of palaeosubduction ⬇️

Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

article

From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language ⬇️

scientific article

Grapevine species from varied native habitats exhibit differences in embolism formation/repair associated with leaf gas exchange and root pressure

scientific article published on 31 January 2015

Information Delivery in Computational Mineral Science: The eMinerals Data Handling System

scholarly article published December 2006

Integrating computing, data and collaboration grids: the RMCS tool.

scientific article

Interactions between bare and protonated Mg vacancies and dislocation cores in MgO ⬇️

scholarly article

Large Scale Atomistic Simulation with Electrostatics: The Case of Cation Impurity Segregation Along an Edge Dislocation Line

Limits of the power law

scientific article published in Nature

Lubrication of dislocation glide in MgO by hydrous defects ⬇️

Melt organisation and strain partitioning in the lower crust ⬇️

scientific article

Modeling the impact of melt on seismic properties during mountain building ⬇️

scholarly article

On the increase in thermal diffusivity caused by the perovskite to post-perovskite phase transition and its implications for mantle dynamics

article

Peierls-Nabarro modeling of dislocations in UO 2 ⬇️

Predicting the structure of screw dislocations in nanoporous materials

scientific article published on 07 September 2004

Seismic evidence for flow in the hydrated mantle wedge of the Ryukyu subduction zone. ⬇️

scientific article published on 20 July 2016

Strong inheritance of texture between perovskite and post-perovskite in the D′′ layer ⬇️

article published in 2013

The NiSi melting curve to 70GPa ⬇️

article by Oliver T. Lord et al published August 2014 in Physics of the Earth and Planetary Interiors

The Ti environment in natural hibonite: XANES spectroscopy and computer modelling ⬇️

The anisotropic signal of topotaxy during phase transitions in D″ ⬇️

scholarly article by Andrew M Walker et al published March 2018 in Physics of the Earth and Planetary Interiors

The effect of cation order on the elasticity of omphacite from atomistic calculations ⬇️

article published in 2015

The formation and evolution of Earth’s inner core.

The influence of channel anion identity on the high-pressure crystal structure, compressibility, and stability of apatite ⬇️

scholarly article by Richard Skelton & Andrew M Walker published 15 March 2018 in Mineralogy and Petrology

The limitations of hibonite as a single-mineral oxybarometer for early solar system processes ⬇️

scholarly article

The origin of the compressibility anomaly in amorphous silica: a molecular dynamics study

article

The phase diagram of NiSi under the conditions of small planetary interiors ⬇️

scholarly article by David P. Dobson et al published December 2016 in Physics of the Earth and Planetary Interiors

Thermal diffusivity of MORB-composition rocks to 15 GPa: implications for triggering of deep seismicity

article

Thermoelastic properties of magnesiowüstite, (Mg1−xFex)O: determination of the Anderson–Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures

Titanium substitution mechanisms in forsterite

scholarly article

Variation of thermal conductivity and heat flux at the Earth's core mantle boundary ⬇️

scientific article

eScience for molecular-scale simulations and the eMinerals project.

scientific article published on March 2009

List of works by Andrew M Walker

A computational study of magnesium point defects and diffusion in forsterite

Ab initio crystal structure and elasticity of tuite, γ-Ca3(PO4)2, with implications for trace element partitioning in the lower mantle ⬇️

Analytical parametrization of self-consistent polycrystal mechanics: Fast calculation of upper mantle anisotropy ⬇️

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

Atomic scale modelling of the cores of dislocations in complex materials part 2: applications

Bulk and Surface Simulation Studies of La1-xCaxMnO3

Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion

Evaluating post-perovskite as a cause of D′′ anisotropy in regions of palaeosubduction ⬇️

Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language ⬇️

Grapevine species from varied native habitats exhibit differences in embolism formation/repair associated with leaf gas exchange and root pressure

Information Delivery in Computational Mineral Science: The eMinerals Data Handling System

Integrating computing, data and collaboration grids: the RMCS tool.

Interactions between bare and protonated Mg vacancies and dislocation cores in MgO ⬇️

Large Scale Atomistic Simulation with Electrostatics: The Case of Cation Impurity Segregation Along an Edge Dislocation Line

Limits of the power law

Lubrication of dislocation glide in MgO by hydrous defects ⬇️

Melt organisation and strain partitioning in the lower crust ⬇️

Modeling the impact of melt on seismic properties during mountain building ⬇️

On the increase in thermal diffusivity caused by the perovskite to post-perovskite phase transition and its implications for mantle dynamics

Peierls-Nabarro modeling of dislocations in UO 2 ⬇️

Predicting the structure of screw dislocations in nanoporous materials

Seismic evidence for flow in the hydrated mantle wedge of the Ryukyu subduction zone. ⬇️

Strong inheritance of texture between perovskite and post-perovskite in the D′′ layer ⬇️

The NiSi melting curve to 70GPa ⬇️

The Ti environment in natural hibonite: XANES spectroscopy and computer modelling ⬇️

The anisotropic signal of topotaxy during phase transitions in D″ ⬇️

The effect of cation order on the elasticity of omphacite from atomistic calculations ⬇️

The formation and evolution of Earth’s inner core.

The influence of channel anion identity on the high-pressure crystal structure, compressibility, and stability of apatite ⬇️

The limitations of hibonite as a single-mineral oxybarometer for early solar system processes ⬇️

The origin of the compressibility anomaly in amorphous silica: a molecular dynamics study

The phase diagram of NiSi under the conditions of small planetary interiors ⬇️

Thermal diffusivity of MORB-composition rocks to 15 GPa: implications for triggering of deep seismicity

Thermoelastic properties of magnesiowüstite, (Mg1−xFex)O: determination of the Anderson–Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures

Titanium substitution mechanisms in forsterite

Variation of thermal conductivity and heat flux at the Earth's core mantle boundary ⬇️

eScience for molecular-scale simulations and the eMinerals project.