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Lancet, The, ISSN 0140-6736, 2012, Volume 380, Issue 9847, pp. 1059 - 1065
Journal Article
by de Boer, Stephanie M and Powell, Melanie E and Mileshkin, Linda and Katsaros, Dionyssios and Bessette, Paul and Haie-Meder, Christine and Ottevanger, Petronella B and Ledermann, Jonathan A and Khaw, Pearly and Colombo, Alessandro and Fyles, Anthony and Baron, Marie-Helene and Jürgenliemk-Schulz, Ina M and Kitchener, Henry C and Nijman, Hans W and Wilson, Godfrey and Brooks, Susan and Carinelli, Silvestro and Provencher, Diane and Hanzen, Chantal and Lutgens, Ludy C H W and Smit, Vincent T H B M and Singh, Naveena and Do, Viet and D'Amico, Romerai and Nout, Remi A and Feeney, Amanda and Verhoeven-Adema, Karen W and Putter, Hein and Creutzberg, Carien L and McCormack, Mary and Whitmarsh, Karen and Allerton, Rozenn and Gregory, Deborah and Symonds, Paul and Hoskin, Peter J and Adusumalli, Madhavi and Anand, Anjana and Wade, Robert and Stewart, Alexandra and Taylor, Wendy and Kruitwagen, Roy F.P.M and Hollema, Harry and Pras, Elizabeth and Snyers, An and Stalpers, Lukas and Jobsen, Jan J and Slot, Annerie and Mens, Jan-Willem M and Stam, Tanja C and Van Triest, Baukelien and Van der Steen - Banasik, Elzbieta M and De Winter, Karin A.J and Quinn, Michael A and Kolodziej, Ilka and Pyman, Jan and Johnson, Carol and Capp, Anne and Fossati, Roldano and Gribaudo, Sergio and Lissoni, Andrea A and Ferrero, Annamaria and Artioli, Grazia and Davidson, Cathy and McLachlin, C. Meg and Ghatage, Prafull and Rittenberg, Paula V.C and Souhami, Luis and Thomas, Gillian and Duvillard, Pierre and Berton-Rigaud, Dominique and Tubiana-Mathieu, Nicole and PORTEC Study Grp and PORTEC study group
The Lancet Oncology, ISSN 1470-2045, 03/2018, Volume 19, Issue 3, pp. 295 - 309
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 7/2018, Volume 2, Issue 26, pp. 17624 - 17636
In this work interfaces between (Na 2 O) x (SiO 2 ) 1− x glasses (for x = 0.0, 0.1 and 0.2) and TiO 2 crystals are simulated using molecular dynamics and... 
CRYSTALLIZATION | RUTILE | 001 SURFACE | VITRIFICATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MOLECULAR-DYNAMICS SIMULATIONS | Computer simulation | Crystal surfaces | Glass | Crystals | Molecular dynamics | Interfacial properties | Molecular chains | Silicon dioxide | Atomic structure | Titanium dioxide | Crystal structure | Free surfaces | Sodium silicates
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 06/2018, Volume 20, Issue 26, pp. 17624 - 17636
In this work interfaces between (Na2O)x(SiO2)1-x glasses (for x = 0.0, 0.1 and 0.2) and TiO2 crystals are simulated using molecular dynamics and empirical... 
Journal Article
Journal of Materials Chemistry A, ISSN 2050-7488, 2017, Volume 5, Issue 11, pp. 5321 - 5331
Molecular dynamics simulations and genetic algorithms are used to identify the mechanisms by which oxygen is transported through the Sr1-3x/2LaxTiO3 family of... 
MOLECULAR-DYNAMICS | ENERGY & FUELS | MATERIALS SCIENCE, MULTIDISCIPLINARY | ALGORITHM | CHEMISTRY, PHYSICAL | SYSTEMS | DIFFUSION | OXIDES | SIMULATIONS | Oxygen | Molecular structure | Computer simulation | Molecular dynamics | Cations | Transport | Diffusion | Defects
Journal Article
AIP Advances, ISSN 2158-3226, 05/2019, Volume 9, Issue 5, pp. 55331 - 055331-8
Dinitrogen activation plays an important role in the production of many essential nitrogen based compounds needed for all life. Using density functional theory... 
Vapor phases | Nitrogen compounds | Activation | Buckminsterfullerene | Butterflies | Ammonia | Zirconium | Mathematical analysis | Exothermic reactions | Fullerenes | Density functional theory | Dimers | Catalysis | Configurations
Journal Article
Proceedings: Mathematical, Physical and Engineering Sciences, ISSN 1364-5021, 11/2014, Volume 470, Issue 2171, pp. 1 - 14
Using molecular dynamics, the thermophysical properties of the (Ux,Th1–x)O2 system have been investigated between 300 and 3600 K. The thermal dependence of... 
Specific heat | Thermal expansion | Oxygen | Transition temperature | Solid solutions | Enthalpy | Special feature | Atoms | Diffusion coefficient | Lattice parameters | Conceptual lattices | Anion diffusion | Nuclear fuel | Uranium dioxide | Bulk modulus | bulk modulus | 1003 | thermal expansion | 117 | 192 | uranium dioxide | specific heat | anion diffusion | nuclear fuel
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 07/2016, Volume 120, Issue 4
Atomic scale molecular dynamics simulations of radiation damage have been performed on beryllium. Direct threshold displacement simulations along a geodesic... 
Simulation | Dependence | Beryllium | Molecular dynamics | Kinetic energy | Spatial resolution | Displacement | Radiation damage
Journal Article
Journal of Materials Chemistry A, ISSN 2050-7488, 12/2014, Volume 3, Issue 3, pp. 1164 - 1173
Molecular dynamics simulations, used in conjunction with a set of classical pair potentials, have been employed to examine simulated radiation damage cascades... 
MIGRATION | MINERALS | ENERGY & FUELS | PLUTONIUM METAL | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | APATITE | IMMOBILIZATION | RADIOACTIVE-WASTES | CALCIUM-PHOSPHATE WASTEFORM | CONCERTED MECHANISM | DISPLACEMENT | MOLECULAR-DYNAMICS SIMULATIONS | Phosphates | Calcium | Simulation | Cascades | Polyhedrons | Damage | Radiation damage | Fluorapatite
Journal Article