相关论文: Geometrical Frustration in Liquid Fe and Fe-Based …

Geometric frustration describes the inability of a local molecular arrangement, such as icosahedra found in metallic glasses and in model atomic glass-formers, to tile space. Local icosahedral order however is strongly frustrated in…

Understanding the mechanisms which relate properties of liquid and solid phases is crucial for fabricating new advanced solid materials, such as glasses, quasicrystals and high-entropy alloys. Here we address this issue for…

Geometric frustration is an approach to the glass transition based upon the consideration of locally favoured structures (LFS), which are geometric motifs which minimise the local free energy. Geometric frustration proposes that a…

Fe-based metallic glasses are promising functional materials for advanced magnetism and sensor fields. Tailoring magnetic performance in amorphous materials requires a thorough knowledge of the correlation between structural disorder and…

We analytically and numerically characterize the structure of hard-sphere fluids in order to review various geometrical frustration scenarios of the glass transition. We find generalized polytetrahedral order to be correlated with…

In amorphous superconductors, superconducting and vortex pinning properties are strongly linked to the absence of long range order. Consequently, superconductivity and vortex phases can be studied to probe the underlying microstructure and…

First-principle based molecular-dynamics simulations have been performed for binary Cu$_x$Ti$_{1-x}$ (x = 0.31, 0.50, and 0.76) alloys to investigate the relationship between local structure and dynamical properties in the liquid and…

The structural properties of the simulated $\rm Cu_{\alpha}Zr_{1-\alpha}$ glassy alloys are studied in the wide range of the copper concentration $\alpha$ to clarify the impact of the composition on the number density of the icosahedral…

The precise nature of complex structural relaxation as well as an explanation for the precipitous growth of relaxation time in cooling glass-forming liquids are essential to the understanding of vitrification of liquids. The dramatic…

Development of reliable interatomic potentials is crucial for theoretical studies of relationship between chemical composition, structure and observable properties in glass-forming metallic alloys. Due to ambiguity of potential…

Elucidating the interplay of stress and geometry is a fundamental scientific question arising in multiple fields. In this work, we investigate the geometric frustration of crystalline caps confined on the sphere in both elastic and plastic…

A link between structural ordering and slow dynamics has recently attracted much attention from the context of the origin of glassy slow dynamics. Candidates for such structural order are icosahedral, exotic amorphous, and crystal-like.…

Computer simulations give precious insight into the microscopic behavior of supercooled liquids and glasses, but their typical time scales are orders of magnitude shorter than the experimentally relevant ones. We recently closed this gap…

Hydrogen embrittlement (HE) in austenitic stainless steels is advanced by hydrogen enhanced localized plasticity (HELP), typically accompanied by a transition from homogeneous to localized slip. Short-range order (SRO) in face-centered…

We carry out extensive Monte Carlo simulations on the Coulomb gas dual to the uniformly frustrated two dimensional XY model, for a sequence of frustrations f converging to the irraltional (3-sqrt 5)/2. We find in these systems a sharp first…

Effect of a quenching medium (water, liquid nitrogen and block of brass) on a short-range ordering in Fe(100-x)Cr(x) (x less than 19) alloys was studied with the Moessbauer spectroscopy. The distribution of Cr atoms was expressed in terms…

The design of multi-functional BMGs is limited by the lack of a quantitative understanding of the variables that control the glass-forming ability (GFA) of alloys. Both geometric frustration (e.g. differences in atomic radii) and energetic…

The effect of geometrical frustration in a two-dimensional 1/4-filled strongly correlated electron system is studied theoretically, motivated by layered organic molecular crystals. An extended Hubbard model on the square lattice is…

Geometric frustration is a fundamental concept in various areas of physics, and its role in self-assembly processes has recently been recognized as a source of intricate self-limited structures. Here we present an analytic theory of the…

Geometric frustration arises when lattice structure prevents simultaneous minimization of local interactions. It leads to highly degenerate ground states and, subsequently, complex phases of matter such as water ice, spin ice and frustrated…