Amorphous alloys have been severely restricted to widespread commercial application by their limited glass-forming ability (GFA). Since it is essentially a "freezing liquid" to some extent, studying the correlation of the atomic structures in solid with those in liquid during the rapid solidification of liquid alloys is expected to provide new insights for GFA. Therefore, the rapid solidification processes of liquid Ni₅₀Zr₅₀ alloy under six different cooling rates are simulated using molecular dynamics (MD) methods. The microstructure as well as its evolution of the rapidly solidified Ni₅₀Zr₅₀ alloys are characterized and analyzed with pair distribution function (PDF), cluster-type-index method (CTIM), and reverse atomic trajectory tracking method. The results show that the most numerous atomic configurations in Ni₅₀Zr₅₀ metallic glass is (11 2/1441 8/1551 1/1661), i.e., Z11 Kasper cluster, rather than icosahedra. The characteristic clusters in rapidly solidified Ni₅₀Zr₅₀ alloys tended to aggregate to form medium-range orders (MROs), and their numbers increase with the decrease of cooling rate. The configurational heredity of basic clusters emerges in the supercooled liquid region of T_m-T_g. Among the typical clusters, Z11 Kasper cluster possesses the highest fraction f of staged heredity in a wide temperature range above T_g. Raising cooling rate is beneficial for increasing f of basic clusters in the supercooled liquid region and increasing onset temperature of configuration heredity. The GFA of Ni₅₀Zr₅₀ alloy induced by raising cooling rate can be attributed to the enhanced hereditary ability of characteristic clusters such as Z11 Kasper cluster.

Based on the first principles, the physical parameters such as point defect formation enthalpy H, elastic constants C₁₁, C₁₂, C₄₄, bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio γ that characterize the strength and toughness of materials in Ag-based alloys doped with alloying elements such as Cu, Zr, W, Cr, Sn, Ni, In, Zn, Ir were calculated in this paper. The difficulty of doping different alloy atoms in Ag matrix and the effects of the valence electron difference ΔV between the alloy atom and the Ag atom on the elastic properties of the Ag-based alloy were analyzed. With the increase of the ΔV, the ability of Ag-based alloys to resist plastic deformation, shear deformation and maintain crystal structure stability during shear deformation can be enhanced. Furthermore, differential charge density of Ag-based alloy projected on the {1 0 0} plane shows the spatial distribution of charge transfer before and after bonding. It is found that the enhanced elastic properties of Ag-base alloy can be attributed to the strong bonding between the alloy atom and Ag atom.

With single-phase free surface Boltzmann method for flow field,free-surface condition and surface tension approach,we investigate process of two droplets impacting on a liquid film and two droplets with vertical interval successively impacting on a liquid film.Numerical result indicates that vertical distance between two droplets has influence on liquid film.Shape of liquid film changes greatly with intervals between droplets.Numerical result is in accordance with experiment qualitatively.

The numerical solution of the dynamical equations of the α-Helix Protein molecular chain is discussed by means of the initial condition on the continuous approximation soliton solution.It is discovered that lifetime of the soliton is limited even if no influence of the thermal vibration acts on.