All Stories

  1. An integrated Petri net-pseudo bond graph model for nuclear hazard assessment
  2. Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic ab in...
  3. A ReaxFF potential for Al–ZnO systems
  4. Author Correction: Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece
  5. Atomistic simulation of helium diffusion and clustering in plutonium dioxide
  6. Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece
  7. Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the whole story
  8. Chlorine passivation of grain boundaries in cadmium telluride solar cells
  9. Deformation and dewetting of liquid films under gas jets
  10. Thickness-dependent surface energy and formation of epitaxial quantum dots
  11. Inert gas bubble formation in magnetron sputtered thin-film CdTe solar cells
  12. Enhancement of photovoltaic efficiency in CdSe x Te1−x (where 0 ⩽ x ⩽ 1): insights from density functional theory
  13. Modelling defect evolution in irradiated graphite
  14. Inert gas cluster formation in sputter-deposited thin film CdTe solar cells
  15. Modelling the effect of hydrogen on crack growth in zirconium
  16. Modelling thin film growth in the Ag–Ti system
  17. Near-surface structure and residual stress in as-machined synthetic graphite
  18. Mesoscopic structure features in synthetic graphite
  19. Growth of silver on zinc oxide via lattice and off-lattice adaptive kinetic Monte Carlo
  20. Reaction pathways in atomistic models of thin film growth
  21. Iron phosphate glasses: Bulk properties and atomic scale structure
  22. Modelling the evaporation of nanoparticle suspensions from heterogeneous surfaces
  23. NdFeO3nanocrystals under glycine nitrate combustion formation
  24. Interfacial surface roughness determination by coherence scanning interferometry using noise compensation
  25. Measurement of thin film interfacial surface roughness by coherence scanning interferometry
  26. A ReaXFF carbon potential for radiation damage studies
  27. A new potential for radiation studies of borosilicate glass
  28. Critical island size for Ag thin film growth on ZnO (0 0 01¯)
  29. Development of an empirical interatomic potential for the Ag–Ti system
  30. Fröhlich resonance in carbon nanospiroids and the 2175 Å interstellar absorption feature
  31. Inter-atomic potentials for radiation damage studies in CePO 4 monazite
  32. Thermal dynamics of silver clusters grown on rippled silica surfaces
  33. Radiation tolerance of iron phosphate: A study of amorphous and crystalline structures
  34. Sub-monolayer growth of Ag on flat and nanorippled SiO2surfaces
  35. Refractive index determination by coherence scanning interferometry
  36. Iron phosphate glasses: Structure determination and radiation tolerance
  37. An interpretation of the strongest X-ray diffraction peak for various carbon nanoclusters
  38. Inert gas bubbles in bcc Fe
  39. The development of thin film metrology by coherence scanning interferometry
  40. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores
  41. Helium bubbles in bcc Fe and their interactions with irradiation
  42. Borosilicate glass potentials for radiation damage simulations
  43. Ripple structures on ion bombarded surfaces arising from the sputter yield dependence on incidence angle
  44. Iron phosphate glasses: Structure determination and displacement energy thresholds, using a fixed charge potential model
  45. Prediction of Irradiation Spectrum Effects in Pyrochlores
  46. Influence of the prefactor to defect motion inα-Iron during long time scale simulations
  47. He migration and bubble formation in Ga stabilised δ-Pu
  48. Structure-induced negatively skewed X-ray diffraction pattern of carbon onions
  49. Simulating radiation damage in a bcc Fe system with embedded yttria nanoparticles
  50. A travelling wave model of ripple formation on ion bombarded surfaces
  51. Sputtering of Au surfaces at realistic dose rates using molecular dynamics and on-the-fly kinetic Monte Carlo
  52. Modelling the growth of ZnO thin films by PVD methods and the effects of post-annealing
  53. Variable step radial ordering in carbon onions
  54. Ion beam induced surface pattern formation and stable travelling wave solutions
  55. Helium Bubbles in Fe: Equilibrium Configurations and Modification by Radiation
  56. Modelling the sputtering of Au surfaces using a multi time-scale technique
  57. Statistical analysis of interatomic bonds and interlayer distances in a carbon helical onion structure with a variable step
  58. Modeling evaporation, ion-beam assist, and magnetron sputtering of thin metal films over realistic time scales
  59. Atomistic modelling of titania grown using PVD methods
  60. Point defect formation and migration in Ga stabilised δ-Pu
  61. Modeling evaporation, ion-beam assist, and magnetron sputtering of TiO2 thin films over realistic timescales
  62. Atomistic surface erosion and thin film growth modelled over realistic time scales
  63. Simulating radiation damage in Ga stabilised δ-Pu
  64. Markov-chain model of classified atomistic transition states for discrete kinetic Monte Carlo simulations
  65. Modelling radiation damage effects on a bcc iron lattice containing phosphorous impurity atoms near symmetrical tilt boundaries
  66. Long time scale evolution of radiation-induced defects in
  67. Surface topography induced by swift heavy ion impacts
  68. Ordered Ag nanocluster structures by vapor deposition on pre-patterned SiO2
  69. Growth mechanisms forTiO2at its rutile (110) surface
  70. Modeling the Sputter Deposition of Thin Film Photovoltaics using Long Time Scale Dynamics Techniques
  71. Surface Erosion of TiO2 subjected to Energetic Oxygen Bombardment
  72. Displacement threshold and Frenkel pair formation energy in ionic systems
  73. Growth of TiO2 surfaces following low energy (<40eV) atom and small cluster bombardment
  74. Radiation effects at the HfO2–MgO interface
  75. Evolution of diamond nanoclusters in the interstellar medium
  76. Non-stoichiometry in MgAl2O4spinel
  77. Surface and interstitial transition barriers in rutile (110) surface growth
  78. Atomistic-scale modelling of nanoindentation into optical coatings
  79. Surface topography after single particle and cluster impacts on gold surfaces
  80. Modelling of deposition processes on the TiO2 rutile (110) surface
  81. Simulating radiation damage in δ-plutonium
  82. A theoretical study of intrinsic point defects and defect clusters in magnesium aluminate spinel
  83. NANODIAMONDS ENVELOPED IN GLASSY CARBON SHELLS AND THE ORIGIN OF THE 2175 Å OPTICAL EXTINCTION FEATURE
  84. The contribution of carbon nanoparticles to the interstellar optical extinction
  85. Radiation damage and evolution of radiation-induced defects in Er2O3bixbyite
  86. Hot stage nanoindentation in multi-component Al–Ni–Si alloys: Experiment and simulation
  87. Nanoindentation and nanoscratching of rutile and anatase TiO2studied using molecular dynamics simulations
  88. Friction at the nanoscale
  89. Silicon potentials investigated using density functional theory fitted neural networks
  90. Atomistic simulations of radiation induced defect formation in the Er2O3 sesquioxide
  91. Investigation of Nanoscratch Processes in Semiconductor Materials for Application to Maskless Patterning
  92. Radiation defect formation in graded-band-gap epitaxial structures Hg1−xCdxTe after boron ion implantation
  93. Structure and mobility of radiation-induced defects in MgO
  94. Ab initiostudy of point defects in magnesium oxide
  95. Defect kinetics in spinels: Long-time simulations ofMgAl2O4,MgGa2O4, andMgIn2O4
  96. A new approach to potential fitting using neural networks
  97. Ab-initio modelling of defects in MgO
  98. Chapter 15 Modelling the structure and dynamics of metal nanoclusters deposited on graphite
  99. Improved grid-based algorithm for Bader charge allocation
  100. Atomistic simulations of radiation-induced defect formation in spinels:MgAl2O4,MgGa2O4, andMgIn2O4
  101. Risk modelling of fires and explosions in open-sided offshore platform modules
  102. The structure of atomic and molecular clusters, optimised using classical potentials
  103. Molecular dynamics modelling of radiation damage in normal, partly inverse and inverse spinels
  104. Simulations of cascades in pure and alumina doped magnesia
  105. Multi-cycling nanoindentation in MgO single crystals before and after ion irradiation
  106. Mechanical properties of superhard materials synthesised at various pressure–temperature conditions investigated by nanoindentation
  107. Modeling the pinning of Au and Ni clusters on graphite
  108. Atomistic modelling of ploughing friction in silver, iron and silicon
  109. Diffusion dynamics of defects in Fe and Fe-P systems
  110. Molecular dynamics simulations of nanoindentation and nanotribology
  111. Stick slip and wear on metal surfaces
  112. Density functional study of Aun (n=3–5) clusters on relaxed graphite surfaces
  113. The influence of P solutes on an irradiated α-Fe matrix
  114. A model for the prediction of radiation defect profiles in the semiconductor target (HgCdTe) subjected to high power short pulsed ion beams
  115. A molecular dynamics model for the Coulomb explosion
  116. Diffusion of radiation damage in Fe–P systems
  117. The interaction of P atoms and radiation defects with grain boundaries in an α-Fe matrix
  118. Gold adatoms and dimers on relaxed graphite surfaces
  119. Modeling of stick-slip phenomena using molecular dynamics
  120. Atomistic simulations of structural transformations of silicon surfaces under nanoindentation
  121. Molecular-dynamics simulations of sputtering
  122. Spatial distribution profiles of defects in mercury cadmium telluride after ion implantation
  123. Molecular dynamic simulations of nanoscratching of silver (100)
  124. Nanostructured surfaces described by atomistic simulation methods
  125. Interaction of silver adatoms and dimers with graphite surfaces
  126. Computer modelling of ballistic particle ejection from NaCl
  127. Nanoscratching of silver () with a diamond tip
  128. The bonding sites and structure of C60 on the Si() surface
  129. Scaling behavior of the penetration depth of energetic silver clusters in graphite
  130. Implantation depth of size-selected silver clusters into graphite
  131. The structure of C60 and endohedral C60 on the Si{100} surface
  132. Atomistic modelling of nanoindentation in iron and silver
  133. The structure and energetics of carbon-nitrogen clusters
  134. Preferential damage at symmetrical tilt grain boundaries in bcc iron
  135. Biofilms and their modifications by laser irradiation
  136. Growth of amorphous carbon films by carbon atom bombardment in the energy range 10–500 eV
  137. Nanoindentation of carbon materials
  138. Numerical calculations using the hyper-molecular dynamics simulation method
  139. Numerical implementation of the hyper-molecular dynamics method with examples applied to diffusion
  140. Low energy deposition of size-selected Si clusters onto graphite
  141. Pinning of size-selected Ag clusters on graphite surfaces
  142. Diffusion limited biofilm growth
  143. Structural changes at grain boundaries in bcc iron induced by atomic collisions
  144. Nanoindentation of diamond, graphite and fullerene films
  145. Shallow junction formation by decaborane molecular ion implantation
  146. Theoretical study of electronic energy loss recently observed in impact collision ion scattering of a low energy Li+ from a TaB2(0001) surface
  147. Applications of genetic algorithms and neural networks to interatomic potentials
  148. Electronic energy loss of slow projectiles evaluated by molecular orbital theory
  149. Modelling radiation effects at grain boundaries in bcc iron
  150. Applications of neural networks to fitting interatomic potential functions
  151. Empirical potentials for C[sbnd]Si[sbnd]H systems with application to C60interactions with Si crystal surfaces
  152. Surface growth modes analysed with modern microscopic and computing techniques
  153. Molecular dynamics studies of particle impacts with carbon-based materials
  154. C60 film growth and the interaction of fullerenes with bare and H terminated Si surfaces, studied by molecular dynamics
  155. A molecular dynamics study of energetic particle impacts on carbon and silicon
  156. An investigation of collision propagation in energetic ion initiated cascades in copper
  157. Ion bombardment of polyethylene
  158. Molecular dynamics simulations of particle-surface interactions
  159. The interaction of C60 with hydrogen plasma
  160. Early stages of bump formation on the surface of ion-bombarded graphite
  161. The interaction of hydrogen with C60fullerenes
  162. Atomic collisions in semiconductors
  163. Ballistic simulation in surface science
  164. Energetic fullerene interactions with Si crystal surfaces
  165. Fast formulae for the time integral in binary collision calculations
  166. The structure of small clusters ejected by ion bombardment of solids
  167. Trapping mechanisms in scattering of beams at grazing incidence from crystals
  168. A semi-empirical many-body interatomic potential for modelling dynamical processes in gallium arsenide
  169. Computational models in atomic collision studies
  170. Long-range channelling in low energy ion implantation into silicon
  171. A single crystal carbon self-sputtering simulation
  172. High-yield sputtering events forAr+
  173. keV particle bombardment of semiconductors: A molecular-dynamics simulation
  174. The evolution of gradient discontinuities (edges) on sputter-eroded surfaces
  175. Precision modeling of the mask–substrate evolution during ion etching
  176. Optimisation of the properties of a microfocused ion beam system
  177. Analytic, geometric and computer techniques for the prediction of morphology evolution of solid surfaces from multiple processes
  178. The criteria for surface reproducibility during erosion or growth
  179. High accuracy ion optics computing
  180. An algorithm to calculate secondary sputtering by the reflection of ions in two dimensions
  181. The development of surface discontinuities (edges) during sputtering induced erosion of solids
  182. Erosion of corners and edges on an ion-bombarded silicon surface
  183. Sample rocking and rotation in ion beam etching
  184. Surface topography evolution resulting from reactive etching and codeposition processes
  185. Computational models of liquid metal ion sources
  186. Surface morphology of Si(100), GaAs(100) and InP(100) following O2+ and Cs+ ion bombardment
  187. Sputter-depth profiling in AES: Dependence of depth resolution on electron and ion beam geometry
  188. Surface morphology during ion etching The influence of redeposition
  189. Surface morphology during ion etching The influence of redeposition
  190. The development of surface topography using two ion beams
  191. The erosion of amorphous and crystalline surfaces by ion bombardment
  192. The development of a general three‐dimensional surface under ion bombardment
  193. The development of surface shape during sputter-depth profiling in Auger electron spectroscopy
  194. The shape of field-ion emitters
  195. Ring counting in field-ion micrographs
  196. Ion trajectories in the field-ion microscope
  197. The distortion of a non-aligned magnetic field by the flow of an inviscid conducting fluid past a circular cylinder