scholarly journals Real Space Triplets in Quantum Condensed Matter: Numerical Experiments Using Path Integrals, Closures, and Hard Spheres

Entropy ◽  
2020 ◽  
Vol 22 (12) ◽  
pp. 1338
Author(s):  
Luis M. Sesé
Keyword(s):  
Path Integral ◽  
Alkali Metals ◽  
Hard Spheres ◽  
Fluid Phase ◽  
Real Space ◽  
Face Centered Cubic ◽  
Colloidal Systems ◽  
Normal Fluid ◽  
Coexistence Line ◽  
Face Centered

Path integral Monte Carlo and closure computations are utilized to study real space triplet correlations in the quantum hard-sphere system. The conditions cover from the normal fluid phase to the solid phases face-centered cubic (FCC) and cI16 (de Broglie wavelengths 0.2≤λB*<2, densities 0.1≤ρN*≤0.925). The focus is on the equilateral and isosceles features of the path-integral centroid and instantaneous structures. Complementary calculations of the associated pair structures are also carried out to strengthen structural identifications and facilitate closure evaluations. The three closures employed are Kirkwood superposition, Jackson–Feenberg convolution, and their average (AV3). A large quantity of new data are reported, and conclusions are drawn regarding (i) the remarkable performance of AV3 for the centroid and instantaneous correlations, (ii) the correspondences between the fluid and FCC salient features on the coexistence line, and (iii) the most conspicuous differences between FCC and cI16 at the pair and the triplet levels at moderately high densities (ρN*=0.9, 0.925). This research is expected to provide low-temperature insights useful for the future related studies of properties of real systems (e.g., helium, alkali metals, and general colloidal systems).

Electronic and phonon instabilities in face-centered-cubic alkali metals under pressure studied usingab initiocalculations

2007 ◽  
Vol 75 (6) ◽  
Author(s):  
Yu Xie ◽  
John S. Tse ◽  
Tian Cui ◽  
Artem R. Oganov ◽  
Zhi He ◽  
...  
Keyword(s):  
Alkali Metals ◽  
Face Centered Cubic ◽  
Face Centered

scholarly journals Poisson’s Ratio of the f.c.c. Hard Sphere Crystals with Periodically Stacked (001)-Nanolayers of Hard Spheres of Another Diameter

Materials ◽  
2019 ◽  
Vol 12 (5) ◽  
pp. 700 ◽  
Author(s):  
Jakub Narojczyk ◽  
Krzysztof Wojciechowski
Keyword(s):  
Poisson’S Ratio ◽  
Hard Sphere ◽  
High Pressures ◽  
Hard Spheres ◽  
Poisson's Ratio ◽  
Face Centered Cubic ◽  
The Matrix ◽  
The Face ◽  
Face Centered ◽  
Maximal Average

The results of studies on the influence of periodically stacked nanolayer inclusions, introduced into the face-centered cubic (f.c.c.) hard sphere crystal, on Poisson’s ratio of the obtained nanocomposite system are presented. The monolayers are orthogonal to the [ 001 ] -direction. They are formed by hard spheres with diameter different from the spheres forming the matrix of the system. The Monte Carlo computer simulations show that in such a case the symmetry of the system changes from the cubic to tetragonal one. When the diameter of the inclusion spheres increases at certain range, a decrease of the negative Poisson’s ratio in the [ 101 ] [ 1 ¯ 01 ] -directions is observed, i.e., the system enhances its partial auxeticity. The dependence of the maximal, average, and negative parts of the minimal Poisson’s ratio on the direction of the applied load are shown in a form of surfaces in spherical coordinates, plotted for selected values of nanolayer particle diameters. The most negative value of the Poisson’s ratio found among all studied systems was − 0.11 (at pressure p * = 100 , which is about ten times higher than the melting pressure) what is almost twice more negative than in the f.c.c. crystal of identical hard spheres. The observed effect weakens along with the decrease of pressure and becomes hardly noticeable near melting. This study indicates that modifying only the size of the inclusion particles one can change Poisson’s ratio of nanocomposites at high pressures.

Voids in Irradiated Tungsten and Molybdenum

1969 ◽  
Vol 27 ◽  
pp. 190-191
Author(s):  
Robert C. Rau ◽  
Robert L. Ladd
Keyword(s):  
Melting Point ◽  
Fast Neutron ◽  
Neutron Irradiation ◽  
Elevated Temperatures ◽  
Irradiation Temperature ◽  
The Body ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Cubic Metals ◽  
Face Centered

Recent studies have shown the presence of voids in several face-centered cubic metals after neutron irradiation at elevated temperatures. These voids were found when the irradiation temperature was above 0.3 Tm where Tm is the absolute melting point, and were ascribed to the agglomeration of lattice vacancies resulting from fast neutron generated displacement cascades. The present paper reports the existence of similar voids in the body-centered cubic metals tungsten and molybdenum.

A study of interface sliding at F.C.C.-B.C.C. boundaries in a Cu-Zn alloy

1978 ◽  
Vol 36 (1) ◽  
pp. 422-423
Author(s):  
F. Monchoux ◽  
A. Rocher ◽  
J.L. Martin
Keyword(s):  
Face Centered Cubic ◽  
Creep Tests ◽  
High Voltage Electron Microscopy ◽  
Diffusion Treatment ◽  
Voltage Electron ◽  
The Face ◽  
Face Centered ◽  
Interface Sliding ◽  
Zn Alloy ◽  
Made In

Interphase sliding is an important phenomenon of high temperature plasticity. In order to study the microstructural changes associated with it, as well as its influence on the strain rate dependence on stress and temperature, plane boundaries were obtained by welding together two polycrystals of Cu-Zn alloys having the face centered cubic and body centered cubic structures respectively following the procedure described in (1). These specimens were then deformed in shear along the interface on a creep machine (2) at the same temperature as that of the diffusion treatment so as to avoid any precipitation. The present paper reports observations by conventional and high voltage electron microscopy of the microstructure of both phases, in the vicinity of the phase boundary, after different creep tests corresponding to various deformation conditions.Foils were cut by spark machining out of the bulk samples, 0.2 mm thick. They were then electropolished down to 0.1 mm, after which a hole with thin edges was made in an area including the boundary

Microstructure of Electro-Eroded Cemented Carbide Surfaces

1968 ◽  
Vol 26 ◽  
pp. 284-285
Author(s):  
V. N. Filimonenko ◽  
M. H. Richman ◽  
J. Gurland
Keyword(s):  
Surface Layer ◽  
Cobalt Content ◽  
Cemented Carbides ◽  
Face Centered Cubic ◽  
X Ray Diffraction ◽  
Metallographic Examination ◽  
Standard Procedures ◽  
Face Centered ◽  
Diamond Paste ◽  
Plastic Carbon

The high temperatures and pressures that are found in a spark gap during electrical discharging lead to a sharp phase transition and structural transformation in the surface layer of cemented carbides containing WC and cobalt. By means of X-ray diffraction both W2C and a high-temperature monocarbide of tungsten (face-centered cubic) were detected after electro-erosion. The W2C forms as a result of the peritectic reaction, WC → W2C+C. The existence and amount of the phases depend on both the energy of the electro-spark discharge and the cobalt content. In the case of a low-energy discharge (i.e. C=0.01μF, V = 300v), WC(f.c.c.) is generally formed in the surface layer. However, at high energies, (e.g. C=30μF, V = 300v), W2C is formed at the surface in preference to the monocarbide. The phase transformations in the surface layer are retarded by the presence of larger percentages of cobalt.Metallographic examination of the electro-eroded surfaces of cemented carbides was carried out on samples with 5-30% cobalt content. The specimens were first metallographically polished using diamond paste and standard procedures and then subjected to various electrical discharges on a Servomet spark machining device. The samples were then repolished and etched in a 3% NH4OH electrolyte at -0.5 amp/cm2. Two stage plastic-carbon replicas were then made and shadowed with chromium at 27°.

Faceted antiphase boundaries in GaAs grown on Ge

1987 ◽  
Vol 45 ◽  
pp. 314-315
Author(s):  
N.-H. Cho ◽  
S. McKernan ◽  
C.B. Carter ◽  
K. Wagner
Keyword(s):  
Cross Section ◽  
Atomic Resolution ◽  
Face Centered Cubic ◽  
Electrical Behavior ◽  
Sphalerite Structure ◽  
Antiphase Boundaries ◽  
Transmission Electron ◽  
Face Centered ◽  
Quality Material ◽  
Simulated Images

Interest has recently increased in the possibility of growing III-V compounds epitactically on non-polar substrates to produce device quality material. Antiphase boundaries (APBs) may then develop in the GaAs epilayer because it has sphalerite structure (face-centered cubic with a two-atom basis). This planar defect may then influence the electrical behavior of the GaAs epilayer. The orientation of APBs and their propagation into GaAs epilayers have been investigated experimentally using both flat-on and cross-section transmission electron microscope techniques. APBs parallel to (110) plane have been viewed at the atomic resolution and compared to simulated images.Antiphase boundaries were observed in GaAs epilayers grown on (001) Ge substrates. In the image shown in Fig.1, which was obtained from a flat-on sample, the (110) APB planes can be seen end-on; the faceted APB is visible because of the stacking fault-like fringes arising from a lattice translation at this interface.

Electron diffraction detection of ordliking in annealed PbTe thin film

1990 ◽  
Vol 48 (4) ◽  
pp. 1018-1019
Author(s):  
Karimat El-Sayed
Keyword(s):  
Thin Film ◽  
Electron Diffraction ◽  
Lead Telluride ◽  
Structural Basis ◽  
Face Centered Cubic ◽  
X Ray ◽  
Polycrystalline Thin Films ◽  
Stage Process ◽  
Diffraction Patterns ◽  
Face Centered

Lead telluride is an important semiconductor of many applications. Many Investigators showed that there are anamolous descripancies in most of the electrophysical properties of PbTe polycrystalline thin films on annealing. X-Ray and electron diffraction studies are being undertaken in the present work in order to explain the cause of this anamolous behaviour.Figures 1-3 show the electron diffraction of the unheated, heated in air at 100°C and heated in air at 250°C respectively of a 300°A polycrystalline PbTe thin film. It can be seen that Fig. 1 is a typical [100] projection of a face centered cubic with unmixed (hkl) indices. Fig. 2 shows the appearance of faint superlattice reflections having mixed (hkl) indices. Fig. 3 shows the disappearance of thf superlattice reflections and the appearance of polycrystalline PbO phase superimposed on the [l00] PbTe diffraction patterns. The mechanism of this three stage process can be explained on structural basis as follows :

NICROFER 5923 HMo-ALLOY 59

Alloy Digest ◽  
1993 ◽  
Vol 42 (5) ◽  
Keyword(s):  
Corrosion Resistance ◽  
High Temperature ◽  
Physical Properties ◽  
Heat Treating ◽  
Face Centered Cubic ◽  
Low Carbon ◽  
High Alloy ◽  
Temperature Performance ◽  
Cubic Structure ◽  
Face Centered

Abstract NICROFER 5923 hMo, often called Alloy 59, was developed with extra low carbon and silicon contents and with a high alloy level of molybdenum to optimize its corrosion resistance. Nicrofer 5923hMo has a face-centered cubic structure. This datasheet provides information on composition, physical properties, elasticity, and tensile properties. It also includes information on high temperature performance as well as forming, heat treating, and joining. Filing Code: Ni-430. Producer or source: VDM Technologies Corporation.

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