Thermodynamics of formation of aluminum-iron-germanium amorphous alloys

Thermodynamic properties of ternary liquid Al-Fe-Ge alloys were studied by electromotive force method at 1050-1250 K and by high-temperature isobasic calorimetry at 1740 ± 5 K. The heat capacity change at ternary alloy formation (Δ_mixC_p) was estimated using the temperature dependence of integral enthalpy of mixing. Thermodynamics of the formation of Al-Fe-Ge amorphous alloys was evaluated by extrapolation of thermodynamic functions of mixing to the temperature of amorphization. The process of glass forming is preferable by both enthalpy and entropy for compositions of (0.1<x_Fe<0.6, x_Ge<0.5). The area with most negative integral Gibbs free energy and enthalpy of amorphous alloy formation corresponds well to the area of amorphization estimated by a glass-forming tendency (GFT) criterion.     

Molecular dynamics simulation of La2O3-Na2O-SiO2 glasses. II. The clustering of La cations

Clustering of high-field strength rare-earth ions in silicate glasses has been experimentally observed for a wide range of concentrations. Clustering has also been observed by molecular dynamics (MD) computer simulations over a range 1-10 mol% in soda silicate glasses. Although there have been numerous experimental studies, atomic-level details of the mechanisms that lead to clustering remain unclear. Coupling experiment with MD simulations is essential to uncovering the factors that lead to clustering. In this work, MD computer simulations are used to verify that clustering found in previous MD simulations is not an artifact of the simulation method. This work also provides clues as to the mechanism of atomic-level clustering.     

Blow-up of solutions to parabolic equations with nonstandard growth conditions

We study the phenomenon of finite time blow-up in solutions of the homogeneous Dirichlet problem for the parabolic equation

     

A note on the fundamental solution for the Tricomi-type equation in the hyperbolic domain

Barros-Neto and Gelfand (Duke Math. J. 98 (3) (1999) 465; Duke Math. J. 117 (2) (2003) 561) constructed for the Tricomi operator on the plane the fundamental solutions with the supports in the regions related to the geometry of the characteristics of the Tricomi operator. We give for the Tricomi-type operator a fundamental solution relative to an arbitrary point of Rⁿ⁺¹ with the support in the region t?0, where the operator is hyperbolic. Our key observation is that the fundamental solution for the Tricomi-type operator can be written like an integral of the distributions generated by the fundamental solution of the Cauchy problem for the wave equation. The application of that fundamental solution to the L^p-L^q estimate for the forced Tricomi-type equation is given as well.     

Anwendung niederenergetischer Gammastrahler für radiographische Untersuchungen

An die zerstörungsfreie Materialprüfung mit Isotopen werden in unserem Lande erweiterte Forderungen gestellt, die sowohl die Prüfung von dünnwandigem Stahl als auch die Prüfung von Leichtmetallerzeugnissen beinhalten. Die Forderungen ergaben sich auf dem Gebiet, wo die Vorteile der γ-Defektoskopie im Vergleich mit der Röntgenprüfung in den Vordergrund treten. Die Strahlungsquellen Se-75 und Tm-170 schienen zu diesem Zweck die geeignetsten zu sein.     

R1234yf/RE170混合工质用于汽车空调的可行性

目前汽车空调常用的制冷剂四氟乙烷(R134a)存在较高的温室效应指数(GWP=1 300),会对环境造成不利的影响。将R1234yf和RE170以质量配比为70:30组成新型混合制冷剂(代号NCUR04)应用于汽车空调中,通过热力学性质、环境特性、循环性能、安全特性、润滑特性方面综合考虑替代R134a的可行性,并与潜在替代制冷剂R1234yf进行对比。研究表明:NCUR04环境性能、热力学性质较R134a和R1234yf优异;单位质量制冷量分别比R134a和R1234yf高24.7%和66.2%;单位容积制冷量比R134a低4.5%,比R1234yf高5.9%;能效比(COP)分别比R134a和R1234yf高1.4%和8.8%;排气温度比R134a低2.4℃,比R1234yf高5.5℃;与POE润滑油互溶性良好。因此,NCUR04替代R134a用于汽车空调具有可行性。     

Mechanistic view of the relaxation dynamics of a simple glass-former. A bridge between the topographic and the dynamic approaches

We provide a link between the two main approaches to the relaxation dynamics of glassy systems: The `real dynamics' scheme and the inherent dynamics or topographic formalism. The first approach is based on molecular dynamics (MD) simulations, whilst the second one reflects the underlying influence of the energy `landscape' (within a timescale separation and activated dynamics scenario) and constitutes a widespread picture within the realm of complex systems ranging from glasses to biopolymers. For a model glass-former (a binary Lennard-Jones system), MD studies which characterized in detail the movements of the different particles led to the discovery of dynamical heterogeneities. On the other hand, the topographic approach identified activated events on the potential energy surface of this system corresponding to transitions between different basins of attraction or inherent structures. In this work we demonstrate that at low temperature the relevant events identified by both methods conform to a basic mechanistic phenomenology with elementary steps involving ballistic string-like particle movements. We also show that as temperature increases and the timescales characterizing events of different range become comparable, these elemental steps loose their nature of rare activated events. Concurrently, the system looses diversity and complexity, signatures of glassy behavior. This fact enables us to furnish for the first time the microscopic structural and dynamical basis and conditions for the prevalence of the `landscape paradigm' for this class of systems.     

Rotational probe relaxation and scaling in fragile glass formers

The rotational dynamics of a stiff paramagnetic tracer dissolved in supercooled SALOL is investigated via electron spin resonance spectroscopy. The study shows that the molecular rotation follows different dynamical regimes as the temperature is lowered. In particular, on cooling through the critical temperature T_C of the SALOL, the coupling between rotational relaxation and viscosity weakens and enhanced rotational diffusion is observed. In this temperature interval, the relationship between rotational correlation times and viscosity is fairly well described by a power law τ∝η^ξ (Fractional Debye-Stokes-Einstein law). Activated reorientation is observed in the temperature region around the glass transition of the SALOL. The rotational dynamics of the tracer dissolved in SALOL are compared with its rotation in ortotherphenyl (OTP) investigated in previous studies, and a scaling procedure is proposed.     

Equilibrium concentration of oxygen rich and deficient defect centers in germanosilicate glasses

Equilibrium concentrations of oxygen rich and deficient defect centers are calculated as a function of temperature and glass redox condition for germanosilicate glasses. We have here used the approach of Silin and Lace [J. Non-Cryst. Solids 149 (1992) 54-61] but extended it to include the case of binary system of germanosilicate glasses. A set of 23 reactions is identified as the possible pathway for formation of different defect centers. Each of these reactions are represented by forward and backward steps with Arrhenius kinetics and their activation energies are estimated based on the relevant bond energies of the involved species. Equilibrium concentrations are determined by setting rates of each of these reactions equal to zero. Typical results are presented for glasses which are: (i) stoichiometric, (ii) glasses with excess oxygen levels of 10¹⁶ to 10²⁰ cm⁻³, and (iii) glasses which are oxygen deficient by 10¹⁶ to 10¹⁸ cm⁻³.     

Molecular dynamics simulation of La2O3-Na2O-SiO2 glasses. III. The driving forces of clustering

Molecular dynamics simulations have been carried out to determine the mean force and the potential of mean force of two La ions in a soda silicate glass. The reaction coordinate starts from a well separated state where the network accommodates the high-field strength cations and then brings them together to form an La-O-La linkage that can lead to the formation of free O anions. It is found that clustering of La ions is favored, at least for dimer states. Similar calculations for the ion pairs of La-La, Na-Na and La-Na in pure silica reveal that the local molecular environments of La and Na ions are quite distinct.