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In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit: a r t i c l e i n f o a b s t r a c t Silicene-like (4, 0) zigzag metal-doped M n Si(More)
We propose a novel interlayer potential, which is different from usual interatomic potentials. The interlayer potential represents the interaction between atomic layers in a layered material. Based on the Chen-Möbius inversion method in combination with ab initio calculations, the interlayer interactions are obtained for the face centered cubic (fcc) (111)(More)
In order to reduce the costs of Java virtual machine garbage collector, a stack-allocation based on garbage collection algorithm is proposed in this paper. The stack frame is improved to support the object storage, and the stackable objects are identified with expanded byte code when the compiler compiles the Java source code. The stackable objects are(More)
The structural stability of ternary compounds Nd 2 Fe 17Àx Cr x is evaluated by using a series of quasi-ab initio interatomic potentials. The results show that the substitution of Cr atoms for Fe almost does not change the crystal symmetry significantly and the calculated structural parameters of Nd 2 Fe 17Àx Cr x correspond well to experimental data. The(More)
The geometry, electronic structure, magnetism, and adsorption properties of one CO molecule on the Mn(N) (N = 2-8) clusters have been investigated based on the density functional theory (DFT) with the spin polarized generalized gradient approximation. It is found that the CO molecule adsorbs on the atop site for N = 2, 4, 7, 8 and on the bridge site for N =(More)
All bedside monitors are prone to heterogeneity and mis-labeled data, yet each multimodal sample data contains different sets of multi-dimensional attributes. To reduce the incidence of false alarms in the Intensive Care Unit (ICU), a new interactive classifier was proposed. In the algorithm, case was represented with signal quality Indices(SQIs) and RR(More)
Density functional theory involving generalized gradient approximation correlation functional is used to investigate the cluster series La @Si n (n=1-21). We find that the growth process of La @Si n (n=1-21) could be divided into three stages: First, La atom adheres to other Si atoms in the size range of 1<or=n<or=10; then, La atom is surrounded by Si atoms(More)
The structural stability and electronic-structure of icosahedral La(13), La(-1) (13), and La(+1) (13) clusters have been studied by DMOL cluster method based on density-functional theory. The ground state of all-electron with relativity results is shown to be a distorted D(2h) icosahedron by the Jahn-Teller effect. However, the binding energies of D(3d) and(More)