Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo∗, AgNa, AgNb∗, AgPd, AgRh∗, AgRu∗, AgTc∗, AgTi, AgY, AgZr, AlSc, AuCd, AuMo∗, AuNb, AuPd, AuPt∗, AuRh∗, AuRu∗, AuSc, AuTc∗, AuTi, AuY, AuZr, CdMo∗, CdNb∗, CdPd, CdPt, CdRh, CdRu∗, CdTc∗, CdTi, CdY, CdZr, CrMg∗, MoNb, MoPd, MoPt, MoRh, MoRu, MoTc∗, MoTi, MoY ∗, MoZr, NbPd, NbPt, NbRh, NbRu, NbTc, NbY ∗, NbZr∗, PdPt, PdRh∗, PdRu∗, PdTc, PdTi, PdY, PdZr, PtRh, PtRu, PtY, PtTc, PtTi, PtZr, RhRu, RhTc, RhTi, RhY, RhZr, RuTi, RuTc, RuY, RuZr, TcTi, TcY, TcZr, TiZr∗, Y Zr∗ (∗= systems in which the ab initio method predicts that no compounds are stable). A detailed comparison to experimental data confirms the high accuracy with which ab initio methods can predict ground states.

Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo*, AgNa, AgNb*, AgPd, AgRh*, AgRu*, AgTc*, AgTi, AgY, AgZr, AlSc, AuCd, AuMo*, AuNb, AuPd, AuPt*, AuRh*, AuRu*, AuSc, AuTc*, AuTi, AuY, AuZr, CdMo*, CdNb*, CdPd, CdPt, CdRh, CdRu*, CdTc*, CdTi, CdY, CdZr, CrMg*, MoNb, MoPd, MoPt, MoRh, MoRu, MoTc*, MoTi, MoY*, MoZr, NbPd, NbPt, NbRh, NbRu, NbTc, NbY*, NbZr*, PdPt, PdRh*, PdRu*, PdTc, PdTi, PdY, PdZr, PtRh, PtRu, PtY, PtTc, PtTi, PtZr, RhRu, RhTc, RhTi, RhY, RhZr, RuTi, RuTc, RuY, RuZr, TcTi, TcY, TcZr, TiZr*, YZr* (*= systems in which the ab initio method predicts that no compounds are stable). A detailed comparison to experimental data confirms the high accuracy with which ab initio methods can predict ground states. 
Keywords: Binary Alloys, Ab initio, Intermetallics, Transition Metals, StructureAluminum, Cadmium, Gold, Magnesium, Molybdenum, Niobium, Palladium, Platinum, Rhodium, Ruthenium, Scandium, Silver, Sodium, Titanium, Technetium, Yttrium, Zirconium.

Accuracy of ab initio methods in predicting the crystal structures of metals: review of 80 binary alloys

http://nucapt.northwestern.edu/refbase/files/ActaMat2005.pdf

First-principles calculation of structural energetics of Al-TM (TM = Ti, Zr, Hf) intermetallics

This paper reviews thermal and nonthermal mechanisms of interaction between radiofrequency (RF) fields and biological systems, focusing on pulsed fields with high peak power but low duty cycle. Models with simplified geometry are used to illustrate the coupling between external electromagnetic fields and the body, and with cellular and subcellular structures. Mechanisms of interaction may be linear or nonlinear with field strength, and thermal or nonthermal. Each mechanism is characterized by a threshold field strength (below which no observable response is produced) and time constant of response. Several classes of nonthermal mechanisms of interaction are well established; however, the anticipated thresholds for producing observable effects are expected to be very high. The bioeffects literature contains many open questions, including many reports of effects that are not clearly interpretable in terms of the mechanisms discussed in this paper.

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Thermal and nonthermal mechanisms of interaction of radio-frequency energy with biological systems

The Cu−Ti (Copper-Titanium) system

The methods of metallographic, thermographic, x-ray diffraction, and microhardness analyses were used for studying alloys of the system titanium-copper in the concentration range 20–100 at. % Cu. On the basis of the results obtained and literature data, the phase diagram of the system Ti-Cu was plotted.

Phase diagram of the system titanium-copper

Summary form only given. Investigations are directed to development of high-power (/spl sim/1 GW) sources of ultrawideband (UWB) nanosecond and sub-nanosecond pulses of radiation on the basis of multielement antenna systems. Using the previously developed approach, a novel compact UWB radiator presenting a combination of an electric monopole, magnetic dipole and TEM-antenna has been developed. These combined antennas are created to be excited by bipolar 1-ns and 2-ns long voltage pulses and, respectively, by monopolar 0.5-ns and 1-ns long pulses. Possibility to control the radiator pattern and efficiency by energy and peak power owing to the change of magnetic dipole geometry has been shown experimentally. In the optimum regime by the peak strength of the radiated field the efficiency by the energy and by the peak power was equal to 85% and 50% for a bipolar pulse and 60% and 20% for a monopolar pulse, respectively. The created antenna was used in the investigations of linear and rectangular four-element arrays. Linear arrays of two variants mounted in parallel and perpendicular to the electric field polarization direction were investigated. Interaction of radiators in the arrays including the one in the wave beam steering regime has been investigated. A comparative analysis of investigation results of different array variants of combined radiators excited by monopolar and bipolar pulses is presented. Bipolar pulse voltage generators with the amplitude up to 100 kV, repetition rate of 50 Hz and 1-2-ns pulse length have been developed for high-voltage tests of UWB radiators. Results of investigations of high-power sources of UWB radiation on the basis of single combined radiators excited by bipolar voltage pulses are presented.

Ultrawideband radiators of high-power pulses

The titanium-silver phase diagram was investigated over the concentration range from 20 to 100 at. % Ag by means of metallographic, thermal, and x-ray diffraction analyses. It was confirmed that the system contains two intermediate phases,η andγ. The phases are based on the compounds TiAg andTi2Ag, which are isostructural with the compounds TiCu and Ti2Cu. The temperatures of nonvariant transformations were determined, and the character of the transformation taking place in the silver-rich alloys was established.

Constitution diagram of the system titanium-silver

The results of investigation of a 4 × 4 ultra-wideband dual polarization receiving antenna array designed for investiagtion of the polarization structure of nanosecond and subnanosecond electromagnetic pulses are presented. The elements of this antenna array are the crossed dipoles whose arms are loaded with single-stage FET amplifiers. The results of measurements of the patterns, the effective length, and the wave-forms of the recorded pulses are presented for different values of the array interelement spacing and the directions of arrival of radiation.

Yu. I. Buyanov

Papers

Phase diagram of the system titanium-copper

Ultrawideband radiators of high-power pulses

Constitution diagram of the system titanium-silver

Dual polarization receiving antenna array for recording of ultra-wideband pulses

Constitution diagram of the gadolinium-germanium system