Physics of epitaxy and c-BN films optimized growth

The cubic zinc-blende phase of boron nitride (c-BN) affords a plethora of potential applications based on material hardness, low chemical reactivity, high thermal conductivity and also on its very large band gap. A modern growth experiments are currently carried out to elaborate monocrystalline c-BN films with a strong film-substrate adherence and up to now several substrates have been used. However, although the film concentration of c-BN is increasing, the growth optimization is still a question under debate. Optimum conditions must be found in energetic growth techniques (IBAD) as well as substrate conditions (temperature, polarization). In this field basic physics is at the very heart of any strategy which aims to elaborate high quality c-BN films. This involves the physics of heteroepitaxy, an aspect of the growth process which consists in taking advantage of complementary freedom degrees as substrate choice and introduction of buffer layers to optimize heterointerfaces. Although several substrates have been tested an optimized choice still remain to be found. On the other hand, the strategy of buffer layers to improve film quality has been less investigated. In this communication, we give the state of art of this field and we discuss the problem of the optimization of c-BN film quality and we demonstrate that the variation of c-BN content in BN films grown on different substrates can be understood on the basis of elasticity theory.     

用BP网络预测AB5型储氢合金初始放电容量

BP神经网络用于预测储氢合金的电化学性能。通过稀土族中金属Nd部分替代AB5型储氢合金中的La,研究了Nd的变化对合金的初始放电容量的影响。详细介绍了BP网络的结构确定、参数选择及训练方法,并利用该网络得出了较好的预测结果。     

Preparation of an optimized ciprofloxacin-loaded chitosan nanomicelle with enhanced antibacterial activity

Objective: The objective of this study was to evaluate the effect of lipid structure on physicochemical properties of chitosan-fatty acid nanomicelles and prepare an optimum ciprofloxacin-loaded formulation from these conjugates which could enhance the antibacterial effects of drug against some important pathogens like P. aeruginosa.

Significance: Nowadays, resistance in infectious diseases is a growing worldwide concern. Nanocarriers can increase the therapeutic index and consequently reduce the antibiotic resistance. By site-specific delivery of drug, the adverse effects of broad-spectrum antibiotics such as ciprofloxacin would be reduced.

Methods: Fatty acid grafted chitosan conjugates were synthetized in the presence of 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide. The effects of fatty acid type (stearic acid, palmitic acid, and linoleic acid) on physicochemical properties of conjugates were investigated. Ciprofloxacin was encapsulated in nanomicelles by thin film hydration method. Also, the preparation process was optimized with a central composite design. The antibacterial effect of optimum formulation against P. aeruginosa, K. pneumoniae, and S. pneumoniae species was determined.

Results: All conjugates were synthetized with high yield values and the substitution degrees ranged between 2.13 and 35.46%. Ciprofloxacin was successfully encapsulated in nanomicelles. The optimum formulation showed high drug loading (≈?19%), with particle size of about 260?nm and a sustained release profile of ciprofloxacin. The minimum inhibitory concentrations of ciprofloxacin in optimum formulation against P. aeruginosa and K. pneumoniae species were 4 and 2 times lower in comparison with the free drug, respectively.

Conclusions: The antibacterial effect of ciprofloxacin was improved by encapsulation of drug in chitosan nanomicelles.     

Modulating the growth of cysteine-capped cadmium sulfide quantum dots with enzymatically produced hydrogen peroxide

Cysteine (CSH) readily stabilizes cadmium sulfide quantum dots (CdS QDs) that grow in aqueous buffered solutions.The oxidation of CSH by hydrogen peroxide (H2O2) at room temperature yields cystine (CSSC),which is less efficient in stabilizing CdS QDs compared to CSH.Herein,we demonstrate that such oxidation causes a decrease in the formation rate of CSH-capped CdS QDs from Cd2+ and S2-ions.For the first time,we combined the oxidation of CSH with the glucose oxidase (GOx)-assisted biocatalytic oxidation of D-glucose,which leads to a buildup of H2O2 in the reaction mixture.The enzymatically modulated in situ growth of CdS QDs was monitored using two techniques:fluorescence spectroscopy and photoelectrochemical (PEC) analysis.This system enables quantification of GOx and glucose in human serum.     

基于需求时间特征的公共系统服务区域优化

以既定系统能力为前提,运用价值工程思想和方法,探寻成本约束下公共系统的服务半径模型;进而通过服务需求特征的界定,利用时间满意度函数进行模型优化,寻求公共系统服务能力与用户需求的协同与平衡,确定最优服务半径区间;最后验证了模型的可行性和有效性。     

Modeling of an isolated liquid hydrogen droplet evaporation and combustion

In this model, diffusive governing equations of Liquid Hydrogen (LH) evaporation and combustion were solved. The simulation reveals that, there exists a critical radius (a_cri) where radiation heat is equal to conduction heat (Q_rad = Q_cond) and a_cri is a function of ambient temperature during LH droplet evaporation process. Under pure evaporation condition, for large liquid hydrogen droplets (a > a_cri) radiation heat is dominant at a given environment temperature, but as liquid droplet size decreases, radiation heat becomes insignificant and thermal conduction will be dominant for liquid evaporation. When LH droplet is burned in a cold environment (T_∞ = 300 K), there are two films above the LH surface, Film I is from LH surface to flame front within which a dense hydrogen gas cloud is formed; Film II is from flame front to the free stream where oxygen is diffused inward to react with hydrogen. The flame front is located about 95 times of the droplet radius (r_f = 95a) and the flame temperature could rise up to 2077 K. When an LH droplet is immersed in a hot environment (T_∞ = 2050 K), the flame front is located at a similar distance to the LH droplet (r_f/a = 114) and flame temperature could go up to 3769 K.     

Observation of hydrogen effects on fatigue crack growth behaviour in an 18Cr-8Ni austenitic stainless steel

The hydrogen effect on crack growth behaviour in a type 304 austenitic stainless steel was investigated and the following results were obtained. The crack growth rate in hydrogen gas is accelerated compared with that in air. In order to clarify the mechanism of the acceleration, the growth behaviours of a crack propagating in a grain and propagating along the boundary to be a fracture facet were investigated. Slip behaviour, opening displacement and fractography showed that the slip-off mechanism in fatigue crack growth is valid even in hydrogen gas. Hydrogen mainly affects slip behaviour such that slip bands concentrate at a crack tip and result in acceleration of the growth rate. The facets are not significantly responsible for the acceleration. The ratio of facets to the entire area is low, and a crack nearly compensates for the temporary acceleration by the facets with subsequent deceleration.     

Customer demand prediction of service-oriented manufacturing using the least square support vector machine optimized by particle swarm optimization algorithm

Many nonlinear customer satisfaction-related factors significantly influence the future customer demand for service-oriented manufacturing (SOM). To address this issue and enhance the prediction accuracy, this article develops a novel customer demand prediction approach for SOM. The approach combines the phase space reconstruction (PSR) technique with the optimized least square support vector machine (LSSVM). First, the prediction sample space is reconstructed by the PSR to enrich the time-series dynamics of the limited data sample. Then, the generalization and learning ability of the LSSVM are improved by the hybrid polynomial and radial basis function kernel. Finally, the key parameters of the LSSVM are optimized by the particle swarm optimization algorithm. In a real case study, the customer demand prediction of an air conditioner compressor is implemented. Furthermore, the effectiveness and validity of the proposed approach are demonstrated by comparison with other classical predication approaches.     

Fatigue crack growth rates of API X70 pipeline steel in a pressurized hydrogen gas environment

Hydrogen is known to have a deleterious effect on most engineering alloys. It has been shown repeatedly that the strength of steels is inversely related to the ductility of the material in hydrogen gas. However, the fatigue properties with respect to strength are not as well documented or understood. Here, we present the results of tests of the fatigue crack growth rate (FCGR) on API X70 from two sources. The two materials were tested in air, 5.5 and 34 MPa pressurized hydrogen gas, and at both 1 and 0.1 Hz. At these hydrogen pressures, the FCGR increases above that of air for all values of the stress intensity factor range (ΔK) greater than ~7 MPa · m^1/2. The effect of hydrogen is particularly sensitive at values of ΔK below ~15 MPa · m^1/2. That is, for values of ΔK between 7 and 15 MPa · m^1/2, the FCGR rapidly increases from approximately that found in air to as much as two orders of magnitude above that in air. Above 15 MPa · m^1/2, the FCGR remains approximately one to two orders of magnitude higher than that of air.     

氢在不同成分和显微组织的Mg-Ni合金电极中的扩散能力研究

采用机械球磨的方法,制备了不同成分和显微组织的MgxNi(x=1%、1.5%、2%(原子分数))合金粉,并采用X射线衍射(XRD)和扫描电子显微镜的方法研究了Mg/Ni比对机械球磨过程中Mg-Ni合金粉末组织结构演变的影响。在不同的电位扫描速度下,对具有不同Mg/Ni比和显微组织结构的Mg-Ni合金电极循环伏安曲线进行了测量,并由此计算出了氢在这些电极中的扩散系数,分析了合金成分和显微组织对Mg-Ni合金电极中氢扩散能力的影响。其结果表明,降低Mg/Ni比,能提高Mg-Ni合金在球磨过程中非晶相的形成能力,Mg-Ni和Mg1.5Ni合金获得完全非晶相的球磨时间分别是120和160h。在由细小、分散并且完全非晶态的Mg-Ni合金颗粒制备的电极中,氢表现出较强的扩散能力,其扩散系数为1.98×10-8cm2/s。     

Crystal growth and structure of L-methionine L-methioninium hydrogen maleate—a new NLO material

A new organic nonlinear optical (NLO) crystal from the amino acid family, viz., L-methionine L-methioninium hydrogen maleate (LMMM), has been grown by slow evaporation method from aqueous solution. Bulk crystals were grown using submerged seed solution method. The structure was elucidated using the single crystal x-ray diffraction data. The compound crystallized in the space group P2₁ and the unit cell contains a protonated L-methioninium cation and a zwitterionic methionine residue plus a maleate anion. The backbone conformation angles Ψ¹ and Ψ² are in cis and trans configurations for both the methionine and methioninium residues, respectively. Amino and carboxyl groups of the methioninium and methionine residues are connected through N–H…O hydrogen bonds leading to a ring R₂²(10) motif.     

Crystal growth and structure of L-methionine L-methioninium hydrogen maleate—a new NLO material

Abstract

A new organic nonlinear optical (NLO) crystal from the amino acid family, viz., L-methionine L-methioninium hydrogen maleate (LMMM), has been grown by slow evaporation method from aqueous solution. Bulk crystals were grown using submerged seed solution method. The structure was elucidated using the single crystal x-ray diffraction data. The compound crystallized in the space group P2₁ and the unit cell contains a protonated L-methioninium cation and a zwitterionic methionine residue plus a maleate anion. The backbone conformation angles Ψ¹ and Ψ² are in cis and trans configurations for both the methionine and methioninium residues, respectively. Amino and carboxyl groups of the methioninium and methionine residues are connected through N–H…O hydrogen bonds leading to a ring R₂²(10) motif.     

Elastic properties of di-ammonium hydrogen citrate single crystals: an ultrasonic study

Many organic crystals with orthorhombic symmetry are non-centrosymmetric, exhibiting electro-optic, ferroelectric and triboluminescence properties. The ammonium salt of citric acid, di-ammonium hydrogen citrate, belongs to this group, which is reported to be piezoelectric and triboluminescent. All the nine second-order elastic stiffness constants of this single crystal have been determined from ultrasonic velocity measurements employing pulse echo overlap technique. The anisotropy of elastic wave propagation in this crystal has been demonstrated by plotting the phase velocity, Young's modulus and linear compressibility surfaces. The relevant values of Poisson's ratios have been evaluated and reported. Variation of selected elastic constants with temperature have been measured and reported.     

Capillary cooling of superconducting coils with two-phase hydrogen or nitrogen

Superconducting coils in AC application, such as in the stator of superconducting motors, have losses which warm up the coil and so limit the performance. Good thermal contact between the coil and the cooling agent is important. In this research we investigate the possibility of cooling the coils by a cryoliquid, such as liquid hydrogen or liquid nitrogen, flowing through capillaries in thermal contact with the coils.     

Computations of fatigue crack growth with strain gradient plasticity and an irreversible cohesive zone model

Computations of fatigue crack growth with a first-order strain gradient plasticity (SGP) model and an irreversible cohesive zone model are reported. SGP plays a significant role in the model predictions and leads to increased fatigue crack growth rates relative to predictions with classical plasticity. Increased magnitudes of tractions and material separation at the crack tip together with reduced crack closure appear as the cause for accelerated crack growth in SGP. Under plane strain conditions SGP appears as an essential feature of the development of the crack closure zone. Size effects are explored relative to changes in internal material length scale as well as to structural length scales.     

Thermal conductivity of hydrogen for temperatures between 78 and 310 K with pressures to 70 MPa

The paper presents new experimental measurements of the thermal conductivity of hydrogen. The ortho-para compositions covered are normal, near normal, para, and para-rich. The measurements were made with a transient hot wire apparatus. The temperatures covered the range from 78 to 310 K with pressures to 70 MPa and densities from 0 to a maximum of 40 mol · L^–1. For compositions normal and near normal, the isotherms cover the entire range of pressure, and the temperatures are 78, 100, 125, 150, 175, 200, 225, 250, 275, 294, 300, and 310K. The para measurements include eight isotherms at temperatures from 100 to 275 K with intervals of 25 K, pressures to 12 MPa, and densities from 0 to 12 mol · L^–1. Three additional isotherms at 150, 250, and 275 K cover para-rich compositions with para percentages varying from 85 to 72%. For these three isotherms the pressures reach 70 MPa and the density a maximum of 30 mol · L^–1. The data for all compositions are represented by a single thermal conductivity surface. The data are compared with the experimental measurements of others through the new correlation. The precision (2) of the hydrogen measurements is between 0.5 and 0.8% for wire temperature transients of 4 to 5 K, while the accuracy is estimated to be 1.5%.     

The effect of overload on the fatigue crack growth behaviour of 304 stainless steel in hydrogen

Fatigue crack growth (FCG) behaviour and its characteristics following tensile overloads were investigated for AISI 304 stainless steel in three different atmospheres; namely dry argon, moist air and hydrogen. The FCG tests were performed by MTS 810 servohydraulic machine. CT specimens were used for the tests and crack closure measurements were made using an extensometer. FCG rates of 304 stainless steel at both dry argon and moist air atmospheres have shown almost the same behaviour. In other words, the effect of moisture on FCG of this material is very small. However, in a hydrogen atmosphere, the material showed considerably higher crack growth rate in all regimes. In general, for all environments, the initial effect of overloads was to accelerate the FCG rate for a short distance (less than a mm) after which retardation occurred for a considerable amount of time. The main causes for retardation were found as crack blunting and a long reinitiation period for the fatigue crack. Regarding the environmental effect, the overload retardation was lowest in a hydrogen atmosphere. This low degree of retardation was explained by a hydrogen embrittlement mechanism. In a general sense, hydrogen may cause a different crack closure mechanism and hydrogen induced crack closure has come in to the picture. Scanning electron microscope and light microscope examinations agreed well with the above results.     

Interaction of local elastoplasticity with hydrogen: embrittlement effects

The finite element method was used to solve the coupled elastic–plastic boundary value problem and transient hydrogen diffusion initial boundary value problem. Solutions were obtained at room temperature and under plane strain deformation in the neighborhood of a blunting crack tip under small scale yielding conditions and in the neighborhood of a rounded notch in a 4-point bend specimen. A discussion of the finite element results in conjunction with different mechanisms of hydrogen embrittlement is presented. If a critical amount of hydrogen is required for hydrogen induced crack initiation, the present results predict locations of crack initiation sites at steel bend specimens which are in agreement with experimental observations on the occurrence of the first microcracking event.     

Tensile behaviour of superelastic NiTi alloys charged with hydrogen under applied strain

ABSTRACT

The tensile behaviour of NiTi alloys is investigated after hydrogen charging during the austenite, half-transformation and martensite phases. The specimens are charged with different current densities and charging durations. During the tensile tests, the strain of the plateau transformation decreases due to hydrogen-induced residual martensite variants. This decrease becomes important when the charging happens during the martensite phase. Accordingly, the hydrogen ensures the stability of the phase in which the charging process occurs. Moreover, a heightening of transformation stress is noticed during the plateau. The transformation stress increases when the current density grows and the charging duration rises. This occurrence is caused by the interaction between the hydrogen and NiTi structures, where hydrogen delays the NiTi martensite transformation.

This paper is part of a thematic issue on Hydrogen in Metallic Alloys     

低气压、弱电离条件下氢气直流放电反应的模拟分析

以等离子体放电理论为基础,依据电子密度连续性方程,电子通量方程,电子能密度连续性方程,以及电子能通量表达式,分别运用有限元法和有限时域差分法,针对氢气直流放电过程的21种碰撞反应类型进行模拟分析.确定了氢气放电所涉及的21种反应类型,在低气压、弱电离条件下仅有11种反应对过程的进行起到有效作用.所得模拟结果与实验测试结果一致.