All Stories

  1. Effects of temperature and CO2 concentration on the early stage nucleation of calcium carbonate by reactive molecular dynamics simulations
  2. Atomistic origin of kinetics in hydrated aluminosilicate gels upon precipitation
  3. Interpreting the Strength Activity Index of Fly Ash with Machine Learning
  4. Finding defects in disorder: Strain-dependent structural fingerprint of plasticity in granular materials
  5. Interatomic potential parameterization using particle swarm optimization: Case study of glassy silica
  6. Precipitation of calcium–alumino–silicate–hydrate gels: The role of the internal stress
  7. On the equivalence of vapor-deposited and melt-quenched glasses
  8. Exploring the landscape of Buckingham potentials for silica by machine learning: Soft vs hard interatomic forcefields
  9. Topological Constraint Theory and Rigidity of Glasses
  10. Atomic picture of structural relaxation in silicate glasses
  11. Modifier clustering and avoidance principle in borosilicate glasses: A molecular dynamics study
  12. Evidence for Anomalous Dynamic Heterogeneities in Isostatic Supercooled Liquids
  13. Nanoengineering of concrete via topological constraint theory
  14. Kinetic Simulations of Cement Creep: Mechanisms from Shear Deformations of Glasses
  15. C-S-H across Length Scales: From Nano to Micron
  16. Creep of Bulk C-S-H: Insights from Molecular Dynamics Simulations
  17. Densified network glasses and liquids with thermodynamically reversible and structurally adaptive behaviour
  18. Intrinsic Nano-Ductility of Glasses: The Critical Role of Composition
  19. Fracture Toughness of Silicate Glasses: Insights from Molecular Dynamics Simulations
  20. Topological Constraints, Rigidity Transitions, and Anomalies in Molecular Networks
  21. Polymorphism and Its Implications on Structure-Property Correlation in Calcium-Silicate-Hydrates
  22. Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates
  23. Percolative heterogeneous topological constraints and fragility in glass-forming liquids
  24. Structure and dynamics of liquid AsSe4 from ab initio molecular dynamics simulation
  25. Structure of As2Se3 and AsSe network glasses: Evidence for coordination defects and homopolar bonding
  26. Applying Tools from Glass Science to Study Calcium-Silicate- Hydrates
  27. Structure, topology, rings, and vibrational and electronic properties of GexSe1−xglasses across the rigidity transition: A numerical study
  28. Viscosity and viscosity anomalies of model silicates and magmas: A numerical investigation
  29. Compositional Thresholds and Anomalies in Connection with Stiffness Transitions in Network Glasses
  30. Transport Anomalies and Adaptative Pressure-Dependent Topological Constraints in Tetrahedral Liquids: Evidence for a Reversibility Window Analogue
  31. Anomalies of the first sharp diffraction peak in network glasses: Evidence for correlations with dynamic and rigidity properties
  32. Extensive computational study of densified sodium silicates
  33. Angular rigidity in tetrahedral network glasses with changing composition
  34. Atomic scale foundation of temperature-dependent bonding constraints in network glasses and liquids
  35. From pockets to channels: Density-controlled diffusion in sodium silicates
  36. Dynamics of slab tear faults: Insights from numerical modelling