Related papers: Phase-decomposition-related short-range ordering i…
We report on the results of molecular dynamics simulation (MD) studies of the classical two-dimensional electron crystal in the presence disorder. Our study is motivated by recent experiments on this system in modulation doped semiconductor…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
We study the folding of RNA secondary structures with quenched sequence randomness by means of the constrained annealing method. A thermodynamic phase transition is induced by including the conformational weight of loop structures. In…
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework…
Zero-field-cooled (ZFC) and field-cooled (FC) magnetization along with ac-magnetization vs. temperature and m-h loop measurements are reported for two series of ion-beam sputtered Fe-Cr GMR multilayers where the interface roughness is…
The transmission electron microscopy observations of the charge ordering (CO) which governs the electronic polarization in LuFe2O4-x clearly show the presence of a remarkable phase separation at low temperatures. Two CO ground states are…
The temperature evolution of icosahedral medium-range order formed by interpenetrating icosahedra in CuZr metallic glass-forming liquids was investigated via molecular dynamics simulations. Scaling analysis based on percolation theory was…
Phase coexistence phenomena have been intensively studied in strongly correlated materials where several ordered states simultaneously occur or compete. Material properties critically depend on external parameters and boundary conditions,…
In multicomponent lattice problems, e.g., in alloys, and at crystalline surfaces and interfaces, atomic arrangements exhibit spatial correlations that dictate the kinetic and thermodynamic phase behavior. These correlations emerge from…
We use neutron scattering to study the spin and lattice structures of single crystal and powder samples of Na$_{1-\delta}$FeAs ($T_c = 23$ K). On cooling from room temperature, the system goes through a series of phase transitions: first…
We have used rotational anisotropic polarized Raman spectroscopy to study the symmetries, the temperature and the doping dependence of the charge ordered state in metallic $(Sr_{1-x}La_{x})_{3}Ir_{2}O_{7}$. Although the Raman probe size is…
The decomposition process mechanisms have been investigated in a Fe50Au25Pd25 (at.%) alloy processed by severe plastic deformation. Phases were characterized by X-ray diffraction and microstructures were observed using transmission electron…
Structural defects in a crystal are responsible for the "two length-scale" behavior, in which a sharp central peak is superimposed over a broad peak in critical diffuse X-ray scattering. We have previously measured the scaling behavior of…
We report on the characterization of high carbon bearing steel 100Cr6 using electron microscopy and atom probe tomography in combination with multi-component diffusion simulations (DICTRA). Scanning electron micrographs show that around 14…
The Cu/Fe/Pd multilayers were transformed into L10-ordered FePdCu alloy by pulsed laser annealing. The initial multilayers were irradiated with 1, 10, 100, and 1000 laser pulses with duration time of 10 ns and energy density of 235 mJ/cm2.…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-\delta}$ in the vacancy range $0 \leq \delta \leq 0.23$. The data provide detailed…
Irradiation-induced ductility loss is a major concern facing structural steels in next-generation nuclear reactors. Currently, the mechanisms for this are unclear but crucial to address for the design of reactor components. Here, the…
Atom-in-jellium calculations of the electron states, and perturbative calculations of the Einstein frequency, were used to construct equations of state (EOS) from around $10^{-5}$ to $10^7$g/cm$^3$ and $10^{-4}$ to $10^{6}$eV for elements…
CoFe2O4 thin films (5 nm and 20 nm thick) were grown by oxygen assisted molecular beam epitaxy on Pt(111) at 523~K and subsequently annealed at 773 K in vacuum or oxygen. They were characterized in-situ using Auger Electron Spectroscopy,…
Metastable aluminum-alloyed $\delta$-plutonium shrinks rapidly and pure $\alpha$-plutonium swells rapidly at 4 K. At ambient temperature alloyed $\delta$-plutonium swells about $10^{-3}$ as fast as it shrinks at 4 K, but its bulk density…