贝丁顿零碳社区

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Insights into Elastic and Thermodynamics Properties of Binary Intermetallics in Ni-AI Alloys under Extreme Condition： Full-Electronic Quasi-Harmonic Study

Atomistic modeling based on the accurate first-principles method is used to investigate the lattice parameter, elastic constant, elastic modulus including bulk modulus （B） and shear modulus （G）, Poisson＇s ratio, and elastic anisotropy of Al, NiAl and NiaAl under extreme condition. The elastic constants obtained from calculations meet their mechanical stability criteria. Both NiAl and Ni3Al exhibit ductile behavior due to their high bulk mudulus to shear modulus ratios of B/G ratios. Through the full-electronic quasi-harmonic approximation, in which the mobile electrons are considered, we successfully obtain the thermo-physical properties including the thermal expansion coefficient, bulk modulus, heat capacity and entropy at simultaneously high temperatures and high pressures. The calculated quantities agree well with the available results. Some silent results are also interpreted. Several interesting features in the thermodynamic properties can also be observed.

Miscibility, Crystallization, and Rheological Behavior of Solution Casting Poly（3-hydroxybutyrate）/poly（ethylene succinate） Blends Probed by Differential Scanning Calorimetry, Rheology, and Optical Microscope Techniques

The miscibility and crystallization of solution casting biodegradable poly（3-hydroxybuty- rate）/poly（ethylene succinate） （PHB/PES） blends was investigated by differential scanning calorimetry, rheology, and optical microscopy. The blends showed two glass transition temperatures and a depression of melting temperature of PHB with compositions in phase diagram, which indicated that the blend was partially miscible. The morphology observation supported this result. It was found that the PHB and PES can crystallize simultaneously or upon stepwise depending on the crystallization temperatures and compositions. The spherulite growth rate of PHB increased with increasing of PES content. The influence of compositions on the spherulitic growth rate for the partially miscible polymer blends was discussed.

Investigation on specific heat capacity and thermal behavior of sodium hydroxyethyl sulfonate

The thermal decomposition process was studied by the TG–DTA analyzer. The results show that the decomposition process of sodium hydroxyethyl sulfonate consisted of three stages: the mass loss for the first, the second and third stages may be about the groups of CH_3CH_2OH, CH_3CHO and SO_2 volatilized, respectively. The decomposition residuum of three stages was analyzed by FT-IR, and the results of FT-IR agreed with the decomposition process predicted by theoretical weight loss. The specific heat capacity of sodium hydroxyethyl sulfonate was determined by differential scanning calorimetry(DSC). The melting temperature and melting enthalpy were obtained to be 465.41 K and 25.69 kJ·mol^(-1), respectively. The molar specific heat capacity of sodium hydroxyethyl sulfonate was determinated from 310.15 K to 365.15 K and expressed as a function of temperature.

Thermodynamic properties and heat capacity of Ru metal in HCP,FCC,BCC and liquid state

Isometric heat capacity cv and isobar heat capacity cp of Ru metal in HCP,FCC,BCC and liquid state were calculated by using pure element systematic theory.The results are in good agreement with joint army-navy-air force(JANAF) experimental value and the calculation result by first-principle(FP) method.But the results have great differences in contrast to Scientific Group Thermodata Europe(SGTE) database.The cause is found that it cannot neglect the electron devotion to heat capacity to adjust cp in one-atom(OA) method.The disparity between OA method and SGTE database was discussed.The main cause is that OA method adopts the crosspoint with iso-Ec-line and iso-a-line in hybritriangle to determine the properties,but SGTE database is obtained by extrapolation from activity measurements and critical assessment of data from a large number of binary system.Thermodynamic properties of Ru metal in HCP,FCC,BCC and liquid state,such as entropy S,enthalpy H and Gibbs energy G were calculated.Therefore,the full description of thermodynamic properties from 0 K to random temperature is implemented.

Thermal conductivity of Al-Gd-TM glass-forming alloys

Thermal diffusivity, specific heat capacity and thermal conductivity of AI86Gd6TM8 （TM = Cu, Ni, Co, Fe, Mn, Cr, Ti, Zr, Mo, Ta） glass-forming alloys in the temperature range of 300-880 K were determined by laser flash method. The temperatures of endothermic and exothermic reactions of the alloys were determined by differential scanning calorimetry method. The alloys were prepared by conventional arc-melting technique under helium atmosphere. All the alloys studied exhibit strong supercooling of the liquidus temperatures up to 80 K, which indicates their good glass-forming ability. The specific heat capacity of the alloys achieves the Dulong-Petit＇s value in the temperature range of 350-550 K except Als6CrsGd6 and Als6ZrsGd6 compositions. The values of both thermal diffusivity and thermal conductivity of the alloy studied are significantly lower than those for pure aluminum. It is found that embedding 14% （mole fraction） of transition elements （Gd＋TM） in the aluminum matrix leads to significant decrease in the absolute magnitudes of both thermal diffusivity and thermal conductivity in crystalline state. The thermal conductivity of glass-forming Als6Gd6TMs alloys is strongly affected by directed chemical bonding between alloy components.

Pancharatnam Phase of a Mesoscopic Coupled Circuit

We derive a formula of the nonadiabatic noncyclic Pancharatnam phase for a mesoscopic circuit with coupled inductors and capacitors. It shows that, because of coupling effect, the circuit is in squeezed quantum state initially, and the time evolution of Pancharatnam phase exhibits an oscillation in a complex way. Especially we find that when the capacity of the coupled capacitors is larger than that of other ones in the circuit, with the variation of time Pancharatnam phase becomes nearly periodic square-wave, which perhaps can provide a new approach for the realization of quantum logic gate.

The revision on heat capacity of Einstein’s solid model

This paper is based on Einstein’s supposition about crystal lattice vibration, which states that when Einstein’s temperature ΘE is not less than the crystal temperature T but less than 2T, the expression of crystal molar heat capacity changes to the Dulong-Petit equation Cv=3R. Thereby this equation can explain why crystal molar heat capacity equals about 3R not only at low temperatures but also at normal temperatures for many kinds of metals. It can be calculated that the nonlinear interaction among atoms contributes to the molar heat capacity using the coefficient of expansion β and the Grüneisen constant γ. The result is that the relative error between the theoretical and the experimental value of the molar heat capacity is reduced greatly for many kinds of metals, especially for metals of IA. The relative error can be cut by about 17%.

First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure

The thermodynamic properties of LiBC are investigated by using the full-potential linearlzed muffin-tin orbital method （FP-LMTO） within the frame of density functional theory （DFT） and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio （c/a）/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions （Li-B bonds or Li-C bonds） are more sensitive to temperature and pressure than intralayer ones （B-C bonds）, as gives rise to the extreme lattice anisotropy in the bulk hop LiBC.

Analytical Solutions of the Equations One Mechanical Thermal Model of a Helical Spring NiTi for Use in Heat Engine

Shape memory effect is capability of certain materials to recover its original shape after an apparently permanent deformation. The NiTi alloy of the composition is approximately equiatomic and it is the materials that exhibit the best characteristics for application of these properties, especially in the biomedical area, because of their excellent biocompatibility as： in the manufacture of medical and dental instruments, orthodontic wires, orthopedic materials, guide wires, stents, filters and components to realize the less invasive surgeries. In other areas, they are used for confections of electronic keys, spectacle frames, application in controllers, junction of pipes and electronic connectors among others. New research topics involving the application of these alloys super-elasticity are also known as pseudo elasticity. This event has an isothermal nature and involves the storage of potential energy in the shape memory effect and super-elasticity. In this context, this work falls within the scope of use of the technologies being an example of the work undertaken, in the course Graduate of Federal University of Pernambuco in skills in these technologies. It will present the results of a heat engine which engine element is a helical spring made of a NiTi alloy equiatomic with memory effect reversibly. The spring is triggered by a hot source （- 373.15 K） and a cold source （273.15 K）. The machine is capable of producing a reciprocating oscillating between the two sources. Heat equations and the equations that describe the dynamic behavior of the spring were developed. Through the development of dynamic equations, it can determine the minimum mass for the motion of the machine, as well as the instantaneous and average power and overall efficiency. You can check the functionality of the machine by way of the inclination angle of the propeller and the coefficient of static friction. Among the main results, it was observed that the overall performance of the machine compared to the machines of this category showed the feasibility of the project.

Impact of Particle Size, Thermal Processing, Fat Inclusion and Moisture Addition on Pellet Quality and Protein Solubility of Broiler Feeds

The present study evaluated the effect of feed particle size, thermal processing, several levels of fat inclusion and moisture addition on pellet quality and protein solubility in potassium hydroxide （KOH） in a corn, soybean meal and animal by products based broiler diets. The different processing factors were combined in a 2 x 4 x 4 x 2 factorial arrangement in an eight randomized block consisting of eight production series： two particle sizes （coarse： 1,041 microns and medium： 743 microns）, four fat inclusion levels at the mixer （15, 25, 35 and 45 g/kg of feed）, four moisture addition levels in the conditioner （0, 7, 14 and 21 g/kg of feed） and two thermal processing treatments （conditioner-pellet press treatment or conditioner-expander-pellet treatment） which resulted in 64 different processed feeds. For the determination of the pellet durability index （PDI）, the amount of intact pellets and protein solubility determinations, eight feed samples （replicates） were collected for each treatment. The data were transformed using a variation of Box-Cox transformation in order to fit a normal distribution （p 〉 0.05）. Adding moisture up to 21 g/kg of feed in the conditioner improved pellet quality of the diets （p 〈 0.05）. Expansion of diets before pelleting improved （P 〈 0.05） PDI and amount of intact pellets by 26% and 31%, respectively, as compared to a simple conditioning-pelleting feed processing. Expander treatment （at 110 ℃） decreased （p 〈 0.05） protein solubility in KOH from 686 g/kg to 643 g/kg total protein as compared to pelleting process （at 80-82 ℃）. The amount of intact pellets reduced from 773 g/kg to 746 g/kg of feed （/7 〈 0.05） as particle size increased from medium to coarse grinding. Pellet quality was significantly reduced with fat inclusion levels higher than 35 g/kg of diet.

On the Possibility of an Isochoric Phase Transition in an Electrostatic Field

In the present paper that considers the possibility for modification of equation of state for a non-polar gas in a closed thermally-insulated capacitor and, consequently, the possibility for changing the temperature and pressure under electrostatic field. This can be classified as a new type of phase transitions.

Excellent supercapacitive performance of a reduced graphene oxide/Ni(OH)_2 composite synthesized by a facile hydrothermal route

A reduced graphene oxide/Ni(OH)2 composite with excellent supercapacitive performance was synthesized by a facile hydrothermal route without organic solvents or templates used.XRD and SEM results reveal that the nickel hydroxide,which crystallizes into hexagonal β-Ni(OH)2 nanoflakes with a diameter less than 200 nm and a thickness of about 10 nm,is well combined with the reduced graphene oxide sheets.Electrochemical performance of the synthesized composite as an electrode material was investigated by cyclic voltammetry,electrochemical impedance spectroscopy and galvanostatic charge/discharge measurements.Its specific capacitance is determined to be 1672 F/g at a scan rate of 2 mV/s,and 696 F/g at a high scan rate of 50 mV/s.After 2000 cycles at a current density of 10 A/g,the composite exhibits a specific capacitance of 969 F/g,retaining about 86% of its initial capacitance.The composite delivers a high energy density of 83.6 W·h/kg at a power density of 1.0 kW/kg.The excellent supercapacitive performance along with the easy synthesis method allows the synthesized composite to be promising for supercapacitor applications.

Thermodynamics of the Reissner-Nordstrm-de Sitter black hole

Considering the relationship between the black hole horizon and the cosmological horizon, the thermodynamic property of the charged de Sitter spacetime is discussed. The effective temperature and energy are obtained. The result shows that the upper limit of the energy in the charged de Sitter spacetime is just the energy in the pure de Sitter spacetime. The thermal capacity of the charged de Sitter spacetime is positive, thus satisfying the thermal stability condition.

Thermodynamic compatibility and mechanical analogue of the generalized Jeffreys and generalized Oldroyd-B fluids with fractional derivatives

The study of generalized Jeffreys and generalized Oldroyd-B fluids with fractional derivatives has made rapid progress as an example of applications of fractional calculus in theology. However, their thermodynamic compatibility and mechanical ana- logue have not yet been properly considered. In the present study, by discussing both these issues, we find that the two orders of fractional derivatives in the constitutive equation of the generalized Jeffreys fluid must be the same in order to ensure that the equation is physically correct. Based on this generalized Jeffreys fluid, a thermodynamically compatible generalized Oldryd-B fluid is also proposed by the convected coordinates approach.

Biocompatibility and bone regeneration of PEO/Mg-Al LDH-coated pure Mg:an in vitro and in vivo study

Forming a stable anti-corrosion surface layer on magnesium(Mg)and its alloys has become a major challenge in developing a desirable degradable medical implant in bone.In this study,a porous MgO layer was first formed on Mg by plasma electrolytic oxidation(PEO),and then a Mg-Al layered double hydroxide(LDH)layer was prepared to seal the porous structure of the PEO layer(LDH-2h and LDH-12h)via hydrothermal treatment.The bilayer structure composite coating,which can effectively resist the penetration of surrounding media,is similar to plain Chinese tiles.The in vitro results revealed that compared with other coatings,the LDH-12h composite coating can reduce the release of Mg ions and induce a milder change in pH when immersed in phosphate-buffered saline(PBS).In vitro rat bone marrow stem cell(rBMSC)culture suggested that the LDH-12h composite coating is favorable for cell activity,proliferation and could improve the osteogenic activity of rBMSCs.A subcutaneous implantation test revealed that the as-prepared sample showed enhanced corrosion resistance and histocompatibility in vivo,especially in the LDH-12h group.Moreover,LDH-12h had the lowest rate of degradation and the closest combination with the new bone after being inserted into a rat femur for 12 weeks with no major organ dysfunction.In summary,the asprepared PEO/Mg-Al LDH composite coating is able to improve the corrosion resistance and biocompatibility of Mg and to enhance osteogenic activity in vivo,suggesting its promising prospects for orthopedic applications.

Parameter identification for volumetric heat capacity and thermal conductivity in a quasi-linear thermodynamic system of sea ice

This paper is intended to determine physical parameters describing volumetric heat capacity and thermal conductivity of sea ice in u quasi-linear thermodynamic system using field observations. The quasi-linear thermodynamic system of sea ice with unknown physical parameters is described, and the existence and uniqueness of its solution is proved. Then the physical parameters are taken as control variable, temperature devi- ations as objective function, and a parameter identification model is established. The existence of its optimal solution is discussed. To solve the identification model, a new algorithm containing genetic algorithm, Hooke- Jeeves algorithm and semi-implicit finite difference scheme is constructed. The physical parameters are calculated using the obser- vations measured at Nella Fjord around Zhongshan Station, Antarctic in CHINARE 2006. For comparability and consistency with other works, a new internationM standard named TEOS-10 is used. To examine the validity of the identified results, another sim- ulation for temperature profiles in different measurement period is operated. Numerical results show that better simulations of temperature distribution are possible with the identified parameters than EC1993. Therefore not only the identified parameters can be applied in sea ice modeling, but also this study can enrich and supplement observations of sea ice.

Thermodynamic Properties and Thermodynamic Geometries of Black p-Branes

The heat capacity and the electric capacitance of the black p-branes(BPB) are generally defined,then they are calculated for some special processes.It is found that the Ruppeiner thermodynamic geometry of BPB is flat.Finally,we give some discussions for the flatness of the Ruppeiner thermodynamic geometry of BPB and some black holes.

Shock relations in gases of heterogeneous thermodynamic properties

Shock relations usually found in literatures are derived theoretically under the assumption of homogeneous thermodynamic properties, i.e., constant ratio of specific heats, γ. However, high temperature effects post a strong shock wave may result in thermodynamic heterogeneities and failure to the original shock relations. In this paper, the shock relations are extended to take account of high-temperature effects. Comparison indicates that the present approach is more feasible than other analytical approaches to reflect the influence of γ heterogeneity on the post-shock parameters.

Direct numerical simulation methods of hypersonic flat-plate boundary layer in thermally perfect gas

High-temperature effects alter the physical and transport properties of air such as vibrational excitation in a thermally perfect gas,and this factor should be considered in order to compute the flow field correctly.Herein,for the thermally perfect gas,a simple method of direct numerical simulation on flat-plat boundary layer is put forward,using the equivalent specific heat ratio instead of constant specific heat ratio in the N-S equations and flux splitting form of a calorically perfect gas.The results calculated by the new method are consistent with that by solving the N-S equations of a thermally perfect gas directly.The mean flow has the similarity,and consistent to the corresponding Blasius solution,which confirms that satisfactory results can be obtained basing on the Blasius solution as the mean flow directly in stability analysis.The amplitude growth curve of small disturbance is introduced at the inlet by using direct numerical simulation,which is consistent with that obtained by linear stability theory.It verified that the equation established and the simulation method is correct.