Journal = "Acta Crystallographica, Section C: Crystal Structure Communications", Title = "Rhombohedral boron subnitride, B13 N2, by X-ray powder diffraction", We additionally find that several known insulators are predicted to be metallic. Some internal testing by the Materials Project supports these statements typically, we find that band gaps are underestimated by ~40%. Typically the disagreement is reported to be ~50% in the literature. In general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures. Stability is tested against all potential chemical combinations that result in the material's composition. The energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Typically accurate to the second digit.Ĭalculated formation energy from the elements normalized to per atom in the unit cell. Hierarchical model reduction at multiple scales.Calculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Porosity dependence of elastic constants in aluminum nitride ceramics. Measurement of mechanical properties of hydtated cement paste using resonant ultrasound spectroscopy. Wu, W., Al-Ostaz, A., Gladden, J., Cheng, A., and Li, G., R.,Ī molecular dynamics and microporomechanics study on the mechanical properties of major constituents of hydrated cement. Velez, K., Maximilien, S., Damidot, D., Fantozzi, G., and Sorrebtino, F.,ĭetermination by nanoindentation of elastic modulus and hardness of pure constituents of Portland cement clinker. Is concrete a poromechanics material?-A multiscale investigation of poroelastic properties. Ulm, F.-J., Constantinides, G., and Heukamp, F. Proposed structure for calcium silicate hydrate gel.Ī method for predicting alkali ion concentration in cement pore solutions.Ī model for two types of calcium silicate hydrate in the microstructure of Portland cement pastes. Studies of the physical properties of hardened Portland cement paste. W.,Įlastic constants and specific-heat measurements on single crystals of La2CuO4. E., Fisk, Z., Cheong, S.-W., Alten, B., Ahrens, E. Resonant ultrasound spectroscopic techniques for measurement of the elastic moduli of solids. Generalized mathematical homogenization: From theory to practice.Ĭoncrete, Structure, Properties, and Msaterials. The elastic and thermo-elastic properties of composite media.ĭependence of mechanical strength of brittle polycrystalline specimens on porosity and grain size. Model for the developing microstructure in Portland cement pastes. Trabecular bone as a hierarchical material: Elasticity and fracture.Ī model for the microstructure of calcium silicate hydrate in cement paste.Ĭolloid model of C-S-H and implications to the problem of creep and shrinkage.
The elastic moduli of heterogeneous materials.Įlastic moduli of hardened Portland cement and tricalci silicate paste: Effect of porosity. Modeling the linear elastic properties of Portland cement paste. C.,Ĭomputational materials: Multi-scale modeling and simulation of nanostructured materials.
Multiscale analysis of composite materials and structures.Ĭomputational mechanics of fatigue and life predictions for composite materials and structures.Įigen deformation-based homogenization of concrete. Micromechanics model for the effective elastic properties of hardened cement pastes. Multiscale micromechanics-hydration model for the early-age elastic properties of cement-based materials.Īpplied Micromechanics of Porous Materials.Ī new model of hydrated cement and its practical implications. Multi-scale digital-image-based modeling of cement-based materials.īernard, O., Ulm, F.-J., and Lemarchand, E.,
#Chemical composition materials studio crack#
Stochastic models for predicting the strength and crack propagation of random composites.īentz, D. Pore structure of cement-based materials: Testing interpretation and requirements (modern concrete technology).Īlkateb, H., Alzebdeh, K. Mechanics of Composite Materials-A Unified Micromechanical Approach. Micromechanical analysis of composites by the method of cells-Update. Micromechanical analysis of composites by the method of cells.
0 kommentar(er)
