First principles calculation of intermetallic compounds in FeTiCoNiVCrMnCuAl system high entropy alloy

The structural, electronic and elastic properties of common intermetallic compounds in FeTiCoNiVCrMnCuAI system high entropy alloy were investigated by the first principles calculation. The calculation results of formation enthalpy and cohesive energy show that FeTi, Fe2Ti, AlCrFe2, Co2Ti, AlMn2V and Mn2Ti phases may form in the formation process of the alloy. Further studies show that FeTi, FezTi, AlCrFe2, Co2Ti and AlMn2V phases with higher shear modulus and elastic modulus would be excellent strengthening phases in high entropy alloy and would improve the hardness of the alloy. In addition, the partial density of states was investigated for revealing the bonding mode, and the analyses on the strength of p-d hybridization also reveal the underlying mechanism for the elastic properties of these compounds.

A first-principles study on elastic properties and stability of Ti_xV_(1-x)C multiple carbide

The structure,stability and elastic properties of di-transition-metal carbides TixV1-xC were investigated by using the first-principles with a pseudopotential plane-waves method.The results show that the equilibrium lattice constants of TixV1-xC show a nearly linear reduction with increasing addition of V.The elastic properties of TixV1-xC are varied by doping with V.The bulk modulus of Ti0.5V0.5C is larger than that of pure TiC,as well as Ti0.5V0.5C has the largest C44 among TixV1-xC（0≤x≤1）,indicating that Ti0.5V0.5C has higher hardness than pure TiC.However,Ti0.5V0.5C presents brittleness based on the analysis of ductile/brittle behavior.The Ti0.5V0.5C carbide has the lowest formation energy,indicating that Ti0.5V0.5C is more stable than all other alloys.

Effects of Cr content on microstructure and mechanical properties of single crystal superalloy

Two experimental single crystal superalloys with 2% Cr and 4% Cr (mass fraction) were cast in a directionally solidified furnace, while other alloying element contents were kept unchanged. The effects of Cr content on the microstructure, phase stability, tensile properties at 1100 °C and stress rupture properties at 1070 °C and 160 MPa of the single crystal superalloy were investigated. The results show that the size ofγ′ phase particles become small and uniform, and the cubic shape turns a little regular with the increase of Cr content. Theγ′ directional coarsening and rafting were observed in the 2% Cr and 4% Cr alloys after long term aging (LTA) at 1100 °C. The rafting rate ofγ′ phase increased with increasing Cr content. Needle-shaped topologically close packed (TCP) phases precipitated and grew along fixed direction in both alloys. The precipitating rate and volume fraction of TCP phases significantly increased with the increase of Cr content. The tensile property of the alloy increased and the stress rupture properties of the alloy decreased with the increase of Cr content at high temperature. The increase of Cr content increased the partition ratio of TCP forming elements, Re, W, and Mo, and the saturation degrees of these elements inγ phases increased. Therefore, the high temperature phase stability of the alloy decreased with the increase of Cr content.

First-principles study of phase stability and electronic properties of RhZr

First-principles calculations were carried out to investigate the structural stabilities and electronic properties of RhZr.The plane wave based pseudopotential method was used,in which both the local density approximation（LDA） and the generalized gradient approximation（GGA） implanted in the CASTEP code were employed.The internal positions of atoms in the unit cell were optimized and the ground state properties such as lattice parameter,density of state,cohesive energies and enthalpies of formation of ortho-RhZr and cubic-RhZr were calculated.The calculation results indicate that ortho-RhZr can form more easily than cubic-RhZr and the ortho-RhZr is more stable than cubic-RhZr.The density of states（DOS） reveals that the strong bonding in the Rh-Zr and Rh-Rh or Zr-Zr interaction chains accounts for the structural stability of ortho-RhZr and the hybridization between Rh-4d states and Zr-4d states is strong.

Stability of Baicalin Aqueous Solution by Validated RP-HPLC

Aim In the present study a RP-HPLC method was developed and validated toinvestigate the stability of baicalin aqueous solution. Methods The influences of temperature and pHon the stability of baicalin aqueous solution were investigated by classic homoiothermicacceleration test, and the pH for the most stable solution was determined. Results The time whenbaicalin suffered 10% loss was found to be 18.1 h, and the degradation activation energy of baicalinwas 79.1 kJ·moL^(-1) . The pH at which baicalin is most stable is 4.28. Conclusion The temperatureshould be kept at a lower level and the pH should be adjusted to near that for the most stablesolution in the production of baicalin preparations.

Structure and properties of FeCoNiCrCu_(0.5)Al_x high-entropy alloy

Effects of Al content and heat treatment on the structure,hardness and electrochemical properties of FeCoNiCrCu0.5Alx high-entropy alloys were investigated.The phase structure of as-cast alloys evolves from FCC phase to BCC phase with the increase of Al content.The stable phase of FeCoNiCrCu0.5Alx high-entropy alloys will transform from FCC phase to FCC＋BCC duplex phases when x value increases from 0.5 to 1.5.The hardness of BCC phase is higher than that of FCC phase,and the corrosion resistance of BCC phase is better than FCC phase in chlorine ion and acid medium.High hardness and good corrosion resistance can be obtained in as-cast FeCoNiCrCu0.5Al1.0 alloy.

一种测量用射频同轴电缆的设计与测试

本文结合同轴电缆的设计原理和实际使用需要,设计了一种测量用微波/射频同轴电缆。该电缆除具有轻质、低损、弯曲性能优异、稳相等常规性能外,还具有高可靠性、高重复性、相位重复性高、屏蔽性能优异、频宽范围可调等特点,并且已经通过了试验验证。同时对相位重复性的测试方法进行了初步研究。

Improved delay-dependent stability criteria for stochastic systems with time-varying interval delay

The problem of the stability for a class of stochastic systems with time-varying interval delay and the norm-bounded uncertainty is investigated. Utilizing the information of both the lower and the upper bounds of the interval time-varying delay, a novel Lyapunov-Krasovskii functional is constructed. The delay-dependent sufficient criteria are derived in terms of linear matrix inequalities （LMIs）, which can be easily checked by the LMI in the Matlab toolbox. Based on the Jensen integral inequality, neither model transformations nor bounding techniques for cross terms is employed, so the derived criteria are less conservative than the existing results. Meanwhile, the computational complexity of the obtained stability conditions is reduced because no redundant matrix is introduced. A numerical example is given to show the effectiveness and the benefits of the proposed method.

Stable Control of Influence Factor during Two-phase Anaerobic Digestion for Agricultural Organic Waste

Two-phase anaerobic digestion process is influenced by acid control for hydrogen production, reaction temperature, substrate detention time, sludge activity, and granular formation. Al of these technological parameters are directly related to success or failure of the system operation and treatment effect.

Alloying behavior and characterization of(CoCrFeNiMn)_(90)M_(10)(M=Al,Hf)high-entropy materials fabricated by mechanical alloying

The alloying behavior and microstructures of the(CoCrFeNiMn)_(90)M_(10)(M=Al,Hf)high-entropy alloy(HEA)powders fabricated by mechanical alloying were studied.The CoCrFeNiMn)_(90)Al_(10) powders have duplex solid-solution structures.In contrast,nanocrystalline HfNi_(3) anchoring in amorphous structures is found in the(CoCrFeNiMn)_(90)Hf_(10) powders.The(CoCrFeNiMn)_(90)Al_(10) powders show better ferromagnetic behaviors,mainly explained by the facilitated motion of the magnetic domain induced by the coherent interface between duplex phases.Combined with our previous work,the rules of forming solid-solution and amorphous phase in as-milled HEA powders are preliminarily proposed.It is found that,compared with the as-cast HEA reported previously,the variation range of mixing enthalpy with atomic size difference of the solid-solution formed in as-milled HEA powders is broader.Moreover,the variation ranges between mixing enthalpy and entropy with atomic size difference of the amorphous phase in HEA powder become wider than those of high-entropy bulk metallic glass.

Starch Modifications to Improve the Paste Stabilities Both in Phase and Viscosity for Warp Sizing

An attempt has been made to improve the paste stabilities both in viscosity of a hot starch paste and in phase of a starch-polyvinyl alcohol blend paste for warp sizing. The phase stability was evaluated in terms of the initial demixing time, and the volume percentage of polyvinyl alcohol separated. It was found that starch cross-linking is harmful to the phase stability of a starch-polyvinyl alcohol blend paste no matter what a type of polyvinyl alcohol is used, although the cross-linking is an effective technique for stabilizing the viscosity of a hot starch paste. The separation rate and extent all increase with the increase in the cross-linking degree of starch. However, this defect can be eliminated through introducing quaternary ammonium groups into crosslinked starch molecules. Evident effect can be achieved when the degree of substitution is as less as 0.021. Generally, increase in the DS reduces the separation rate and extent, and thereby raising the phase stability. Moreover, the effects of both starch content and PVA type on the separation are also considered. Cationization after starch cross-linking shows improved stabilities both in viscosity and phase.

Application of fuzzy optimal selection of similar slopes to the evaluation of slope stability

The numerical calculation method is widely used in the evaluation of slope stability,but it cannot take the randomness and fuzziness into account that exist in rock and soil engineering objectively.The fuzzy optimization theory is thus introduced to the evaluation of slope stability by this paper and a method of fuzzy optimal selection of similar slopes is put forward to analyze slope stability.By comparing the relative membership degrees that the evaluated object sample of slope is similar to the source samples of which the stabilities are detected clearly,the source sample with the maximal relative membership degree will be chosen as the best similar one to the object sample,and the stability of the object sample can be evaluated by that of the best similar source sample.In the process many uncertain influential factors are considered and characteristics and knowledge of the source samples are obtained.The practical calculation indicates that it can achieve good results to evaluate slope stability by using this method.

Thermal stability and precipitate microstructures of Al−Si−Mg−Er alloy

The effect of Er on the microhardness and precipitation behavior of the heat-treated Al−Si−Mg alloy was investigated by microhardness tester and TEM.As a comparison,the influence of natural aging was also studied.It is shown that the thermal stability of the over-aged Al−Si−Mg−Er alloy is highly related to the average size of the precipitates.The average size ofβ''precipitates in Al−Si−Mg−Er alloy is smaller than that in Al−Si−Mg alloy,and the distribution is more localized under condition of without introducing natural aging.However,when natural aging is introduced before artificial aging,the Al−Si−Mg−Er alloy has similar average size and distribution of precipitates with the Al−Si−Mg alloy,resulting in similar mechanical properties.The effect of Er on the precipitation kinetics in the alloy was also discussed in detail to explain these phenomena.

Density Functional Study on Structures and Relative Stability of Gd（H2O）n^3＋ （n=8,9）

Density functional theory calculations were performed to study the structures and relative stability of the gadolinium complexes, Gd（H2O）n^3＋ （n=8,9）, in vacuo and in aqueous solution. The polarizable continuum model with various radii for the solute cavity was used to study the relative stability in aqueous solution. The calculated molecular geometries for n=8 and 9 obtained in vacuo are consistent with those observed in experiments. It was found that while the nona-aqua complex is favored in the gas phase, in aqueous solution the octa-aqua conformation is preferred. This result, independent of the types of cavities employed, is in agreement with the experimental observation. The reliability of the present calculation was also addressed by comparing the calculated and experimental free energy of hydration, which revealed that the UA0, UAHF, and UAKS cavities are most appropriate when only the first solvation shell is treated explicitly.

Alkalinity stabilization behavior of bauxite residue:Ca-driving regulation characteristics of gypsum

Alkaline anions,include CO3^2–,HCO3^–,Al(OH)4^–,OH^–,continuously released from bauxite residue(BR),will cause a potential disastrous impact on surrounding environment.The composition variation of alkaline anions,alkaline phase transformation pathway,and micro-morphological transition characteristics during the gypsum addition were investigated in an attempt to understand alkalinity stabilization behavior.Results demonstrated that alkaline anions stabilization degree in leachates can reach approximately 96.29%,whilst pH and alkalinity were reduced from 10.47 to 8.15,47.39 mmol/L to 2 mmol/L,respectively.During the alkalinity stabilization,chemical regulation behavior plays significant role in driving the co-precipitation reaction among the critical alkaline anions(CO3^2–,HCO3^–,Al(OH)4^–,OH^–),with calcium carbonate(CaCO3))being the most prevalent among the transformed alkaline phases.In addition,XRD and SEM-EDX analyses of the solid phase revealed that physical immobilization behavior would also influence the stability of soluble alkali and chemical bonded alkali due to released Ca^2+from gypsum which aggregated the clay particles and stabilized them into coarse particles with a blocky structure.These findings will be beneficial for effectively regulating strong alkalinity of BR.

Enhanced thermal stability and mechanical properties of high-temperature resistant Al-Cu alloy with Zr and Mn micro-alloying

The high temperature(HT)thermal stability and mechanical properties of Al-5%Cu(AC)and Al-5%Cu-0.2%Mn-0.2 Zr%(ACMZ)alloys from 573 to 673 K were systematically studied.The results displayed that micro-alloying additions of Zr and Mn elements have presented a significant role in stabilizing the main strengthening metastableθ′precipitates at a temperature as high as 573 K.Simultaneously,the HT tensile test demonstrated that ACMZ alloy retained their strength of(88.6±8.8)MPa,which was much higher than that of AC alloy((32.5±0.8)MPa)after the thermal exposure at 573 K for 200 h.Finally,the underlying mechanisms of strength and ductility enhancement mechanism of the ACMZ alloy at HT were discussed in detail.

Stability analysis method of geogrid reinforced expansive soil slopes and its engineering application

The traditional stability analysis method of geogrid reinforced slopes does not consider the effect of lateral swelling,so it is not applicable to reinforced expansive soil slopes.This paper reports a new stability analysis method for geogrid reinforced expansive soil slopes.The additional pullout force of the free zone due to the lateral swelling and the anti-pullout safety factor of each geogrid layer were obtained by ensuring the overall stability of the reinforced slope.The optimum design was carried out to treat an expansive soil cut slope in Hubei Province,China,by changing the spacing and length of geogrid reinforcement.Calculation results show that the additional pullout force caused by lateral swelling has a great influence on the anti-pullout stability of geogrids,and the local stability of the reinforced slope will be overestimated if the swelling effect of soil in the free zone is not considered.

Catastrophe analysis on pillar instability considered mining effect

The instability of the pillar was discussed based on the potential energy principle and the cusp catastrophe theory, and a simplified mechanical model of the pillar was established considering the mining effect. The necessary-sufficient conditions, the jump value of displacement of pillar and the released energy expressions were deduced. The results show that the instability of the pillar is related to the properties of the rock, the external force and the relative stiffness of the elastic area to the plastic area. The instability of system is like to occur with the enlarging of the softening area or the decreasing of E/λ. The calculation done shows that the estimated results correspond to practical experience.

Thermal Stability of Silica-Zirconia Membranes

The thermal stability, phase transformation, surface morphology, pore size distribution and permeation of the defect-free silica-zirconia membrane were investigated by using X-ray diffraction （XRD）, atomic force microscopy （AFM）, gas adsorption analyzer （BET）, and gas permeation apparatus, respectively. Using silica as the stabilizing agent, the defect-free membrane was much more stable than pure zirconia. The crystal transformation of zirconia in the silica-stabilized membrane could be prohibited by the interaction between silica and zireonia. ZrO2 crystals were kept tetragonal below 900℃, the size of which did not change with temperature between 700℃ and 900℃. It was further verified by the AFM observation, pore size analysis and permeation study. This thermal stability makes the silica-zirconia membrane a good choice as the intermediate layer for zeolite and Pd-based membranes.

Instability and breakup of cavitation bubbles within diesel drops

A modified mathematical model is used to study the effects of various forces on the stability of cavitation bubbles within a diesel droplet. The principal finding of the work is that viscous forces of fluids stabilize the cavitation bubble, while inertial force destabilizes the cavitation bubble. The droplet viscosity plays a dominant role on the stability of cavitation bubbles compared with that of air and bubble. Bubble–droplet radius ratio is a key factor to control the bubble stability, especially in the high radius ratio range. Internal hydrodynamic and surface tension forces are found to stabilize the cavitation bubble, while bubble stability has little relationship with the external hydrodynamic force. Inertia makes bubble breakup easily, however, the breakup time is only slightly changed when bubble growth speed reaches a certain value(50 m·s-1). In contrast, viscous force makes bubble hard to break. With the increasing initial bubble–droplet radius ratio, the bubble growth rate increases, the bubble breakup radius decreases, and the bubble breakup time becomes shorter.