Molecular topology and chemical reactivity: Interaction of a chemical bond with simple cubic, body centered cubic and face centered cubic alkali metal lattices

1983 ◽  
Vol 94 ◽  
pp. 25-35 ◽  
Author(s):  
Jir̆í Pancír̆ ◽  
Rudolf Zahradník
Keyword(s):  
Alkali Metal ◽  
Chemical Bond ◽  
Chemical Reactivity ◽  
Face Centered Cubic ◽  
Molecular Topology ◽  
Body Centered Cubic ◽  
Simple Cubic ◽  
Face Centered

Zero-Point Effects in Heisenberg Antiferromagnets with Arbitrary Range of Interaction

1972 ◽  
Vol 50 (23) ◽  
pp. 2991-2996 ◽  
Author(s):  
M. F. Collins ◽  
V. K. Tondon
Keyword(s):  
Ground State ◽  
State Energy ◽  
Correction Term ◽  
Zero Point ◽  
Face Centered Cubic ◽  
Heisenberg Antiferromagnet ◽  
Body Centered Cubic ◽  
Cubic Lattices ◽  
Simple Cubic ◽  
Face Centered

The ground state energy, spin-wave energy, and sublattice magnetization have been calculated for a Heisenberg antiferromagnet at the absolute zero of temperature. The treatment extends the earlier work of Anderson, Kubo, and Oguchi to apply for any two-sublattice antiferromagnet with arbitrary range of interaction. It is shown that for each exchange interaction there is a different characteristic correction term to the energies. Explicit calculations are made of these terms for the simple cubic, body-centered cubic, and face-centered cubic lattices, with both first- and second-neighbor interactions. Applications are also made to NiO and MnO. An extra term in the magnetization series beyond that given by earlier workers is derived.

Enhancement Of Power Factor In A Thermoelectric Composite With A Periodic Microstructure

2000 ◽  
Vol 626 ◽  
Author(s):  
Leonid G. Fel ◽  
Yakov M. Strelniker ◽  
David J. Bergman
Keyword(s):  
Thermoelectric Power ◽  
Power Factor ◽  
The Other ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
High Quality ◽  
Thermoelectric Power Factor ◽  
Simple Cubic ◽  
Periodic Microstructures ◽  
Face Centered

ABSTRACTThe thermoelectric power factor has been calculated for a two-constituent composite medium, where one constituent is a “high quality thermoelectric” while the other constituent is a “benign metal”, with large electrical and thermal conductivities but poor thermoelectric properties. It was recently discovered that, in such a mixture, the power factor could be greatly enhanced by an appropriate choice of microstructure. Here we report on a study of three periodic microstructures with cubic point symmetry under rotations: simple cubic (SC), body centered cubic (BCC), and face centered cubic (FCC) arrays of identical spheres of the benign metal embedded in the high quality thermoelectric host. We show detailed results for these microstructures in the case where the benign metal constituent is Copper, while the high quality thermoelectric constituent is the thermoelectric alloy (Bi2Te3)0.2 (Sb2Te3)0.8.

On the new structural phases in Al65Cu20Cr15 quasicrystalline alloy

1995 ◽  
Vol 10 (8) ◽  
pp. 1905-1912 ◽  
Author(s):  
Varsha Khare ◽  
N.P. Lalla ◽  
R.S. Tiwari ◽  
O.N. Srivastava
Keyword(s):  
Metastable Phase ◽  
Structural Characteristics ◽  
Icosahedral Phase ◽  
Cubic Phase ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Structural Variants ◽  
Simple Cubic ◽  
Face Centered ◽  
Specific Orientation

The quasicrystalline (qc) alloy Al65Cu20Cr15, unlike its Ru- and Fe-bearing counterparts like Al65Cu20Ru15 and Al65Cu20Fe15, is a metastable phase. This qc alloy has been shown to possess several structural variants and curious structural characteristics. We have investigated the qc alloy Al65Cu20Cr15 with special reference to the possible occurrence of new structural variants. TEM exploration of the as-quenched qc alloy has indeed revealed the existence of several new phases. These are (i) body-centered cubic (bcc) (a = 12.60 Å, disordered) and simple cubic (s.c.) (a = 12.60 Å, ordered), which are the 1/1 approximants of the primitive icosahedral phase (i phase); (ii) a twice order-induced modulated cubic phase (bcc, a = 25.20 Å) which has been shown to correspond to 1/1 approximant of the ordered i phase [i.e., face-centered icosahedral (FCI)]; and (iii) real crystalline bcc (a = 8.90 Å) and face-centered cubic (fcc) (a = 17.98 Å) phases possessing a specific orientation relationship with the icosahedral matrix phase. Tentative structural models showing the interrelationships between the bcc/fcc phases have been outlined.

scholarly journals Preliminary Analysis on Burnup Calculation of Several Arrangement of TRISO and Pebble inside an MCNP Model of HTR Core

2021 ◽  
Vol 2072 (1) ◽  
pp. 012008
Author(s):  
W Luthfi ◽  
Suwoto ◽  
T Setiadipura ◽  
Zuhair
Keyword(s):  
Reactor Core ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Average Deviation ◽  
Absolute Deviation ◽  
Hexagonal Close Packed ◽  
Simple Cubic ◽  
High Temperature Reactor ◽  
Face Centered ◽  
Burnup Calculation

Abstract Several studies related to simplifying the modeling of pebble bed High-Temperature Reactor core (HTR) has been developed before. From some calculation on several MCNP models with a fueled pebble to dummy ratio 57:43, using a combination of several types of TRISO (TRi-structural ISOtropic particle fuel) unit and Pebble unit is modeled to achieve its first criticality. In this paper, some MCNP model that uses 27000 pebbles with a 57:43 ratio and 100% fueled pebble is created to be used on burnup calculation and to compare its k-eff and nuclide inventory. From this burnup calculation, it could be seen that SC (Simple Cubic) TRISO unit has faster calculation time followed by the HCP (Hexagonal Close Packed) TRISO unit and then the FCC (Face-Centered Cubic) TRISO unit. The BCC (Body-Centered Cubic) pebble unit had some consistent deviation from another pebble unit, and it still needs more study to know more about the reason behind it. It could be seen that if there are some dummy pebbles inside the reactor, then the deviation would be higher than if there is just fueled pebble inside the reactor. On the 57:43 ratio, the absolute average deviation of k-eff on burnup calculation is lower than 2% and 10% for nuclide inventory (mass). On 100% fueled pebble, it’s below 0.15% on k-eff absolute deviation and below 8% on nuclide inventory deviation.

scholarly journals Rectangular Body-centered Cuboid Packing Lattices and Their Possible Applications

2019 ◽  
Vol 1 (2) ◽  
Author(s):  
Xiqiang Zheng
Keyword(s):  
Sphere Packing ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Simple Cubic ◽  
Face Centered ◽  
Packing Method ◽  
Rectangular Body

We first introduce several sphere packing ways such as simple cubic packing (SC), face-centered cubic packing (FCC), body-centered cubic packing (BCC), and rectangular body-centered cuboid packing (recBCC), where the rectangular body-centered cuboid packing means the packing method based on a rectangular cuboid whose base is square and whose height is  times the length of one side of its square base such that the congruent spheres are centered at the 8 vertices and the centroid of the cuboid. The corresponding lattices are denoted as SCL, FCCL, BCCL, and recBCCL, respectively. Then we consider properties of those lattices, and show that FCCL and recBCCL are the same. Finally we point out some possible applications of the recBCC lattices.

Metallurgical Aspects of High-palladium Alloys

1988 ◽  
Vol 67 (10) ◽  
pp. 1307-1311 ◽  
Author(s):  
P.R. Mezger ◽  
A.L.H. Stols ◽  
M.M.A. Vrijhoef ◽  
E.H. Greener
Keyword(s):  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Palladium Alloys ◽  
Secondary Phases ◽  
X Ray Diffraction ◽  
X Ray ◽  
Simple Cubic ◽  
Face Centered ◽  
Fcc Phase ◽  
Multi Phase

Nine commercial high-Pd alloys were investigated. Microstructure and phase composition were screened by x-ray diffraction, light microscopy, and an electron microprobe. After being etched, some high-Pd alloys revealed dendritic structures. The others showed a more homogeneous structure with distinct grain boundaries. Etching was necessary to reveal distinct structures, though the overall etching effect turned out to be limited. On unetched specimens, only a slight chemical heterogeneity could be determined. Except for one alloy, the systems turned out to have complex multi-phase structures. The main face-centered-cubic (fcc) phase was Pd-based. As secondary phases, body-centered-cubic (bcc) and/or simple cubic ones were detected. The latter phases were similar to a Cu3Ga and PdGa intermetallic compound, respectively. Face-centered-tetragonal (fct) structures reported by other investigators were not found.

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.

scholarly journals Irradiation Behaviors in BCC Multi-Component Alloys with Different Lattice Distortions

Metals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 706
Author(s):  
Yue Su ◽  
Songqin Xia ◽  
Jia Huang ◽  
Qingyuan Liu ◽  
Haocheng Liu ◽  
...  
Keyword(s):  
Single Phase ◽  
Vacuum Arc ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Chemical Complexity ◽  
Arc Melting ◽  
Vacuum Arc Melting ◽  
Lattice Distortions ◽  
Face Centered ◽  
Displacement Per Atom

Recently, the irradiation behaviors of multi-component alloys have stimulated an increasing interest due to their ability to suppress the growth of irradiation defects, though the mostly studied alloys are limited to face centered cubic (fcc) structured multi-component alloys. In this work, two single-phase body centered cubic (bcc) structured multi-component alloys (CrFeV, AlCrFeV) with different lattice distortions were prepared by vacuum arc melting, and the reference of α-Fe was also prepared. After 6 MeV Au ions irradiation to over 100 dpa (displacement per atom) at 500 °C, the bcc structured CrFeV and AlCrFeV exhibited significantly improved irradiation swelling resistance compared to α-Fe, especially AlCrFeV. The AlCrFeV alloy possesses superior swelling resistance, showing no voids compared to α-Fe and CrFeV alloy, and scarce irradiation softening appears in AlCrFeV. Owing to their chemical complexity, it is believed that the multi-component alloys under irradiation have more defect recombination and less damage accumulation. Accordingly, we discuss the origin of irradiation resistance and the Al effect in the studied bcc structured multi-component alloys.

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