Search Results - "Dove, M.T."
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MERLIN, a new high count rate spectrometer at ISIS
Published in Physica. B, Condensed matter (01-11-2006)“…MERLIN is designed to be a high intensity, medium energy resolution spectrometer. As such, it will complement the high-resolution MAPS spectrometer at ISIS…”
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Integrating computing, data and collaboration grids: the RMCS tool
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13-03-2009)“…We describe RMCS as one of the first tools for grid computing that integrates data and metadata management into a single job submission system. The system is…”
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New tools to support collaboration and virtual organizations
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13-03-2009)“…Web resource…”
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Lessons in scientific data interoperability: XML and the eMinerals project
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13-03-2009)“…A collaborative environmental eScience project produces a broad range of data, notable as much for its diversity, in source and format, as its quantity. We…”
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eScience for molecular-scale simulations and the eMinerals project
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13-03-2009)“…We review the work carried out within the…”
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Ultra-high strength and excellent ductility high entropy alloy induced by nano-lamellar precipitates and ultrafine grain structure
Published in Materials science & engineering. A, Structural materials : properties, microstructure and processing (18-01-2023)“…We describe the development of a non-equiatomic CoCrFeNi2Al0.3Ti0.25 high entropy alloy (HEA). Both high-density nano-lamellar precipitates and ultrafine grain…”
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Building and managing the eMinerals clusters: a case study in grid-enabled cluster operation
Published in Computing in science & engineering (01-11-2005)“…This article describes the configuration, monitoring, management, and use of compute clusters in an environment in which users access resources via grid…”
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Zinc incorporation into hydroxylapatite
Published in Biomaterials (01-05-2009)“…Abstract By theoretical modeling and X-ray absorption spectroscopy, the local coordination structure of Zn incorporated into hydroxylapatite was examined…”
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Methane hydrate clathrates: effects in the simulation of melting arising from the assumption of simple combining rules in interatomic potentials
Published in Molecular simulation (11-02-2021)“…We discuss how the use of the conventional Lorentz-Bertholet mixing rules for the Lennard-Jones potentials for water and methane in simulations of their…”
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Neutron diffraction study of the tricritical orientational order/disorder phase transition in calcite at 1260 K
Published in Physics and chemistry of minerals (01-04-1989)Get full text
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Rigid unit modes in the high-temperature phase of SiO2 tridymite: calculations and electron diffraction
Published in Physics and chemistry of minerals (01-02-1996)Get full text
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Modeling high-energy radiation damage in nuclear and fusion applications
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (15-04-2012)“…We discuss molecular dynamics (MD) simulations of high-energy radiation damage in materials relevant for encapsulation of nuclear waste and materials to be…”
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Lessons in scientific data interoperability: XML and the e Minerals project
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13-03-2009)“…A collaborative environmental eScience project produces a broad range of data, notable as much for its diversity, in source and format, as its quantity. We…”
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Journal Article -
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eScience for molecular-scale simulations and the e Minerals project
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13-03-2009)“…We review the work carried out within the e Minerals project to develop eScience solutions that facilitate a new generation of molecular-scale simulation work…”
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Remote determination of sample temperature by neutron resonance spectroscopy
Published in Nuclear instruments & methods in physics research. Section A, Accelerators, spectrometers, detectors and associated equipment (01-08-2005)“…The Doppler broadening of the lower energy neutron absorption resonances of natural hafnium, tantalum, iridium and rhenium have been studied for the purpose of…”
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Ab initio magnetic structure refinement: total scattering and RMCPROFILE
Published in Acta crystallographica. Section A, Foundations of crystallography (23-08-2008)“…Abstract only…”
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Negative thermal expansion and local crystal structure
Published in Acta crystallographica. Section A, Foundations of crystallography (23-08-2008)“…Abstract only…”
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On the thermal expansion of ?-cristobalite
Published in Physics and chemistry of minerals (01-02-1995)Get full text
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A computational study of Al/Si ordering in cordierite
Published in Physics and chemistry of minerals (01-03-1996)Get full text
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