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Strong Vibration of buildings during seismic or wind loading may result in an uplift or partial separation of the foundation from the underneath soil. To date, various researches have indicated that Soil-Structure Interaction (SSI) has many…
The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
Soft colloids allow to explore high density states well beyond random close packing. An important open question is whether softness controls the dynamics under these dense conditions. While experimental works reported conflicting results,…
SmCo$_5$ and YCo$_5$ are isostructural compounds both showing large magnetocrystalline anisotropy, where the former originates mainly from the crystal-electric field and magnetic interactions. We investigate the contribution of both…
The stability of organic solar cells is strongly affected by the morphology of the photoactive layers, whose separated crystalline and/or amorphous phases are kinetically quenched far from their thermodynamic equilibrium during the…
We study three structurally different states of nanocrystalline 316 steel and show that the state, where boundaries containing excess concentration of alloying elements are combined with mobile dislocations in grain interiors, allows…
We consider the process of precipitation in binary alloys in the presence of mechanical deformation. It is commonly observed that mechanical deformation prior to or during precipitation leads to microstructure with excess defects, which…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural, energetic and kinetic properties of associated twin…
We consider 2D gas of spinless fermions with the Coulomb and the short range interactions on a square lattice at T=0. Using exact diagonalization technique we study finite clusters up to 16 particles at filling factors $\nu=1/2$ and 1/6. By…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…
Slow dynamic nonlinearity is widely observed in brittle materials with complex heterogeneous or cracked microstructures. It is seen in rocks, concrete and cracked glass blocks. Unconsolidated structures show the behavior as well: aggregates…
Diverting, and controlling, elastic vibrations impacting upon infrastructure is a major challenge for seismic hazard mitigation, and for the reduction of machine noise and vehicle vibration in the urban environment. Seismic metamaterials…
Sacrificial bonds and hidden length (SBHL) in structural molecules provide a mechanism for energy dissipation at the nanoscale. It is hypothesized that their presence leads to greater fracture toughness than what is observed in materials…
In order to design tougher materials, it is crucial to understand the relationship between their composition and their resistance to fracture. To this end, we investigate the fracture toughness of usual sodium silicate glasses (NS) and…
Intermetallic phases can significantly improve the creep resistance of magnesium alloys, extending their use to higher temperatures. However, little is known about the deformation behaviour of these phases at application temperatures, which…
We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique…
Amorphous solids lack long-range order. Therefore identifying structural defects -- akin to dislocations in crystalline solids -- that carry plastic flow in these systems remains a daunting challenge. By comparing many different structural…
We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic…