0000000000121865
AUTHOR
J. Krawczyk
Electrical resistivity of simple metal amorphous alloys at moderately low temperatures
Abstract An approach is developed that allows to explain the unusual dependence of the electrical resistivity ρ(T) of amorphous alloys on temperature T. Interactions between the free electrons and the longitudinal acoustic excitations in the small-wavelength region (“the roton region”) are shown to cause such a behaviour of ρ(T) at moderately low temperatures. The features of the electron–phonon interactions in an amorphous alloy as compared to the crystal state case are discussed. The theory is illustrated by numerical calculations of the electrical resistivity ρ(T) for Mg–Zn and Cu–Sn amorphous alloys at the different alloy concentrations in the 0 K temperature range. Qualitative agreemen…
The role of atomic static displacements in binary-alloy formation
Abstract A microscopic approach to considering the influence of local atomic static displacements (LASD) on binary alloy thermodynamic properties has been developed. The explicit expression for the free energy of a disordered alloy is derived within the collective variables method. The LASD are shown to promote formation of a disordered alloy. The theory is illustrated by numerical calculations performed for alloys of the Ca–Ba system. Dependence of the alloy formation heat on temperature and concentration obtained numerically agrees perfectly with the experimental data.
Electron transport process in simple amorphous metals at moderately low temperatures
Abstract The dependence of electroresistivity ϱ( T ) and electron contribution to thermoconductivity ϰ( T ) of simple amorphous metals is investigated. Calculation of kinetic coefficients is carried out in the nearly free electron approximation (Ziman theory). The form-factor was calculated in the quasiphonon model. In this approximation on the short wavelength part of “dispersion curve” a minimum exists (“roton-like minimum”). It is shown that at moderately low temperatures 10 K ≤ T ≤ 100 K the ratio ϱ(T) − ϱ(0) T 2 has a maximum and the T 2 [ ϰ ( T ) − ϰ (0)] is minimal in this temperature region. Such “anomaly” in the temperature dependence of the kinetic coefficient is due to additional…
SARS-CoV-2 vaccination modelling for safe surgery to save lives: data from an international prospective cohort study
Abstract Background Preoperative SARS-CoV-2 vaccination could support safer elective surgery. Vaccine numbers are limited so this study aimed to inform their prioritization by modelling. Methods The primary outcome was the number needed to vaccinate (NNV) to prevent one COVID-19-related death in 1 year. NNVs were based on postoperative SARS-CoV-2 rates and mortality in an international cohort study (surgical patients), and community SARS-CoV-2 incidence and case fatality data (general population). NNV estimates were stratified by age (18–49, 50–69, 70 or more years) and type of surgery. Best- and worst-case scenarios were used to describe uncertainty. Results NNVs were more favourable in su…
On the role of atomic thermal vibrations in binary-alloy thermodynamics
An ab initio approach is advanced for the thermodynamical properties investigations of disordered binary alloys. Configurational and vibrational degrees of freedom are considered on the microscopic level in the grand partition sum calculations. Summing over the vibrational and configurational states of an alloy is performed within the reference system approach and the collective variables method, respectively. An equation defining the alloy free energy is obtained. The role of the atomic thermal vibrations in the binary-alloy thermodynamics and their relationship with the configurational effects are discussed. Conditions when the configurational and vibrational effects can be treated separa…
A New Approach to Deriving Interatomic Many-Body Interactions in Metals
An original method of treating the kinetic and exchange-correlation en- ergies functionals in terms of many particle interactions was developed. It is based on utilizing the local density approximation. The total electron density, extracted from the ab initio . band structure calculations, is expressed as a lin- ear superposition of contributions from the individual pseudoions embedded in the uniform background. The explicit expressions for the pair and triplet potentials are presented. The general form for the part of the pair interatomic interactions caused by the kinetic and. the exchange-correlation effects is ob- tained. Relationship between the developing approach and the perturbation…
Phonon contribution to the absorption of ultrasound in amorphous solids at moderately low temperatures
Abstract Sound absorbtion in amorphous solids is considered to be due to the scattering of sound waves from the thermal phonons. It is shown that the dependence of the absorption coefficient on the temperature displays a maximum in the interval 10≲T≲100 K . The frequency dependence of the absorption coefficient is investigated. Numerical calculations for amorphous Mg and Zn illustrate the theoretical results.
Electrical resistivity of amorphous simple metals at moderately low temperatures
Abstract The dependence of electrical resistivity ρ ( T ) on temperature T in a region of moderate temperatures is considered for amorphous simple metals. It is shown within the Faber–Ziman theory that the ratio [ ρ ( T )− ρ (0)]/ T 2 has a maximum in the temperature region 10 K⩽ T ⩽100 K The theory is illustrated by numerical calculations performed for hard-sphere models of amorphous Mg and Zn.