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A four-parameter generalized van der Waals equation of state: theoretical determination of thermodynamic stability boundary and vapor–liquid equilibrium of vanadium, niobium and tantalum 四参数广义范德华状态方程:钒、铌和钽热力学稳定边界和汽液平衡的理论确定
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-08-03 DOI: 10.1080/01411594.2023.2241599
R. Arumugam, B. Ramasamy
ABSTRACT A new four-parameter generalized van der Waals equation of state is proposed. The criteria for the applicability of the proposed equation of state in describing the thermodynamic properties of substances have been formulated. The generalized van der Waals equation of state is found to be applicable to vanadium, niobium and tantalum. To validate the generalized van der Waals equation of state, the spinodal, ideal tensile strength, thermodynamic limit of superheat and binodal of vanadium, niobium and tantalum have been determined. The obtained results agree with that of Filippov correlation and other equations of state. Using the obtained spinodal, the binodal of vanadium, niobium and tantalum has been determined.
摘要提出了一个新的四参数广义范德华状态方程。已经制定了所提出的状态方程在描述物质热力学性质方面的适用性标准。发现广义范德华状态方程适用于钒、铌和钽。为了验证广义范德华状态方程,确定了钒、铌和钽的旋节、理想抗拉强度、过热热力学极限和双峰。所得结果与Filippov相关和其它状态方程的结果一致。利用所获得的旋节,确定了钒、铌和钽的双峰。
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引用次数: 0
Structural, magnetic and ferroelectric properties of magnetoelectrically coupled xBa0.95Sr0.05TiO3-(1–x)BiFe0.90Sm0.10O3 ceramics 磁电耦合xBa0.95Sr0.05TiO3-(1–x)BiFe0.90Sm0.10O3陶瓷的结构、磁性和铁电性能
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-07-25 DOI: 10.1080/01411594.2023.2231125
Mohammad J. Miah, M. I. Khan, M. M. Rahman, A. Akther Hossain
ABSTRACT The standard solid state reaction method was followed to synthesize the polycrystalline xBa0.95Sr0.05TiO3-(1–x)BiFe0.9Sm0.1O3 [xBST-(1–x)BFSmO, x = 0–0.35] ceramics. The XRD pattern revealed a structural transition of the prepared ceramics from rhombohedral to cubic symmetry. The mean grain size was estimated in the micrometer range, with values ranging from 0.40 to 1.95 μm. The maximum real part of the complex initial permeability of 28.26 was noticed for x = 0.30 multiferroic ceramics. The highest remanent magnetization determined for the x = 0.30 sample was 3.4 10−2 emu/g. For the sample with x = 0.35 the maximum recorded dielectric constant was found to be 677 at 103 Hz. A small value of dielectric loss (<5%) was observed. The compound exhibited significant remanent polarization and a reduction in the leakage current. In addition, the investigated materials comprise large magnetoelectric coefficients and the optimum magnetoelectric coefficient of 0.662 mV.cm−1.Oe−1was obtained for the x = 0.30 composition.
摘要采用标准固相反应方法合成了多晶xBa0.95Sr0.05TiO3-(1–x)BiFe0.9Sm0.1O3[xBST-(1–x)BFSmO,x = 0–0.35]陶瓷。XRD图谱显示所制备的陶瓷的结构从菱面体向立方对称转变。平均晶粒度估计在微米范围内,数值范围从0.40到1.95 μm。x的复数初始渗透率的最大实部为28.26 = 0.30多铁性陶瓷。x的最高剩余磁化强度 = 0.30样品为3.4 10−2 emu/g。对于带有x的样本 = 0.35,发现在103Hz下记录的最大介电常数为677。观察到较小的介电损耗值(<5%)。该化合物表现出显著的残余极化和漏电流的减少。此外,所研究的材料包括大的磁电系数和0.662的最佳磁电系数 x获得的mV.cm−1.Oe−1 = 0.30组成。
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引用次数: 0
Scrutinizing the effect of substrate temperature and enhancing the multifunctional attributes of spray deposited copper gallium sulfide (CuGaS2) thin films 研究衬底温度的影响,增强喷雾沉积硫化铜镓薄膜的多功能特性
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-07-20 DOI: 10.1080/01411594.2023.2238110
K. Vijayan, S. P. Vijayachamundeeswari
ABSTRACT Polycrystalline chalcopyrite CuGaS2 thin films were prepared using a spray pyrolysis route has been considered a potential material for the solar cell absorber layer. Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) studied the impact of substrate temperature in the range of 200–300˚C on surface profile and roughness. Powder X-ray diffraction disclosed that the films were polycrystalline at all examined substrate temperatures, with crystallite size increasing with increased substrate temperature. The UV-Vis displays the cut-off wavelength in 550–880 nm for varied substrate temperatures of CuGaS2 thin films, and the observed band gap is 2.75 eV–1.89 eV. The electrical attributes showed the enhancement in mobility (4.632 cm2 V−1 s−1) for varied substrate temperatures of CuGaS2 thin films. The 300˚C temperature sprayed CuGaS2 polycrystalline films are a decent candidate to be apposite as an absorber layer in thin film photovoltaic solar cells.
采用喷雾热解法制备了多晶黄铜矿CuGaS2薄膜,该薄膜被认为是太阳能电池吸收层的潜在材料。扫描电子显微镜(SEM)和原子力显微镜(AFM)研究了200–300˚C范围内的衬底温度对表面轮廓和粗糙度的影响。粉末X射线衍射表明,在所有检测的衬底温度下,薄膜都是多晶的,微晶尺寸随着衬底温度的升高而增加。UV-Vis显示550–880的截止波长 nm,观察到的带隙为2.75 eV–1.89 电子属性显示迁移率的增强(4.632 cm2 V−1 s−1)。300˚C温度喷涂的CuGaS2多晶薄膜是薄膜光伏太阳能电池中合适的吸收层候选材料。
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引用次数: 2
Study of ageing and size effects in Nickel–Titanium shape memory alloy using molecular dynamics simulations 分子动力学模拟研究镍钛形状记忆合金的时效和尺寸效应
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-07-18 DOI: 10.1080/01411594.2023.2235061
Jia-yuan Chen, Hemantha Kumar Yeddu
ABSTRACT The effect of ageing process at 1073.15 K on the athermal phase transformation in different nanograins (4.5, 6 and 9 nm) of Nickel–Titanium shape memory alloy is studied using molecular dynamics simulations. The martensitic transformation start temperature and transformed martensite volume decrease with decreasing grain size. The two-stage phase transformation with intermediate phase formation is observed only in the smallest grain (4.5 nm) where a single martensite variant is formed. On the contrary, larger grains show a self-accommodated twinned martensite variants with one-stage transformation from austenite to martensite. The ageing process hardly influences the morphology of the martensite phase, however, it rises the martensite start temperature and reduces the austenite start temperature. The nano grain size models demonstrate the constrained transformation due to the transformation barrier and the accumulation of internal stress, while the ageing process shows the tendency for stress relaxation.
摘要1073.15时老化过程的影响 K对不同纳米颗粒(4.5、6和9)中无热相变的影响 nm)进行了分子动力学模拟研究。马氏体相变起始温度和相变马氏体体积随晶粒尺寸的减小而减小。只有在最小晶粒(4.5 nm),其中形成单个马氏体变体。相反,较大的晶粒表现出自适应的孪晶马氏体变体,从奥氏体到马氏体的一阶段转变。时效过程几乎不影响马氏体相的形态,但它提高了马氏体起始温度,降低了奥氏体起始温度。纳米晶粒尺寸模型表明,由于转变势垒和内应力的积累,转变受到约束,而时效过程显示出应力松弛的趋势。
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引用次数: 0
Thermal kinetics and glass stability criteria of the Se70Te20Cd10 chalcogenide glass Se70Te20Cd10硫族化物玻璃的热动力学和玻璃稳定性准则
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-07-04 DOI: 10.1080/01411594.2023.2229932
A. Farid
ABSTRACT The results of differential thermal analysis of the Se70Te20Cd10 glass under non-isothermal settings are presented and analyzed. The heating rate affects the temperature of the glass transition (Tg ), the onset temperature of crystallization (Tc ) and the peak temperature of crystallization (Tp ). The glass transition activation energy (Eg ), the crystallization activation energy (Ec ), the Hurby number (Hr ) and the order parameter (n) were all calculated. The results show that the rate of crystallization is connected to heat stability and glass-forming capabilities for the current composition. The results indicate two-dimensional development for the composition Se70Te20Cd10 in accordance with the Avrami exponent (n).
摘要介绍并分析了Se70Te20Cd10玻璃在非等温条件下的差热分析结果。加热速率影响玻璃化转变温度(Tg)、结晶起始温度(Tc)和结晶峰值温度(Tp)。计算了玻璃化转变活化能(Eg)、结晶活化能(Ec)、赫尔比数(Hr)和有序参数(n)。结果表明,结晶速率与当前组合物的热稳定性和玻璃形成能力有关。结果表明组合物Se70Te20Cd10根据Avrami指数(n)的二维展开。
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引用次数: 0
Dielectric prοperties and cοmplex impedance οf the 0.69PbMg1/3Nb2/3Ο3– 0.31PbTiΟ3 relaxοr ceramic 0.69PbMg1/3Nb2/3Ο3 - 0.31PbTiΟ3弛豫ο陶瓷的介电性能和复阻抗
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-06-27 DOI: 10.1080/01411594.2023.2227315
S. Hnawi, H. Lifi, Mohamed Lifi, Salam Khrissi, K. Benkhouja, M. Ait Ali
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引用次数: 0
Influence of synthetic temperature on structural and magnetic properties of Dy substituted Ni nanoferrite 合成温度对Dy取代镍纳米铁氧体结构和磁性能的影响
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-06-27 DOI: 10.1080/01411594.2023.2228968
Vikas S. Shinde, Ravindra N. Chikhale
ABSTRACT Dy substituted Ni ferrite nanoparticles with composition NiFe1.95Dy0.05O4 were synthesized by using the citric acid sol–gel auto combustion method. The samples were sintered at temperatures of 400°C, 700°C, and 900°C. The X-ray diffraction measurements clearly showed the formation of a cubic spinel structure along with a small orthoferrite phase for all the sintered samples. The crystallite size increases from 17.79 to 39.36 nm while the grain size increases from 50.70 nm to 83.05 nm. The lattice parameter and lattice volume decrease with increasing sintering temperature was observed. The Spinel ferrite structure of prepared samples has been confirmed from FTIR spectra. With increasing sintering temperature saturation magnetization increases from 25.80 emu/gm to 49.48 emu/gm while the coercivity value decreases from 207.95 Oe to 165.43 Oe. Increasing saturation magnetization and decreasing coercivity values with increasing sintering temperature make the synthesized nanoparticles suitable for high-density data storage devices.
摘要采用柠檬酸溶胶-凝胶自燃烧法合成了Dy取代的NiFe1.95Dy0.05O4铁氧体纳米颗粒。样品在400°C、700°C和900°C的温度下烧结。X射线衍射测量清楚地表明,对于所有烧结样品,形成了立方尖晶石结构以及小的正铁氧体相。晶粒尺寸从17.79增加到39.36 nm,而晶粒尺寸从50.70增加 nm至83.05 nm。观察到晶格参数和晶格体积随着烧结温度的升高而减小。红外光谱证实了制备样品的尖晶石铁氧体结构。随着烧结温度的升高,饱和磁化强度从25.80 emu/gm增加到49.48 emu/gm,矫顽力值从207.95 Oe降低到165.43 Oe。随着烧结温度的升高,饱和磁化强度的增加和矫顽力的降低使合成的纳米颗粒适用于高密度数据存储器件。
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引用次数: 0
A novel nanocomposite comprising Schiff base ligand functionalized zinc sulphide nanoparticles for heavy metal detection and photocatalytic dye degradation 一种新型的希夫碱配体功能化硫化锌纳米复合材料用于重金属检测和光催化染料降解
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-06-24 DOI: 10.1080/01411594.2023.2225686
Subham Nath, Rohit Kumar, Shweta Bhargav, Subhojit Das, C. Datta
ABSTRACT Herein, we report the detection and removal/degradation of metal ions and dye species using nanotechnology-based approach. A Schiff base (Sb) ligand has been prepared by a solvent-less method; post which, the ligand is used for functionalizing zinc sulphide nanoparticles (ZnS NPs) in the aqueous medium. The Sb–ZnS NPs proved to be a dual probe, viz., for the detection of Pb2+, Hg2+ and Fe3+ ions, and as a photocatalyst for the degradation of methylene blue (MB) dye. The experiments using the Sb–ZnS NP photocatalyst under daylight illumination revealed higher efficiency with 96% degradation of MB than that in the dark with only 66% degradation of the dye. Further, the degradation of the dye followed first-order rate kinetics with a higher rate constant for light-illuminated sample (16.3 × 10−4 min−1) than the one kept at dark (6.85 × 10−4 min−1). UV–Vis, PL, FT-IR, TEM and powder XRD analyses have been routinely used for the present investigation.
摘要在此,我们报道了使用基于纳米技术的方法检测和去除/降解金属离子和染料物种。采用无溶剂法制备了席夫碱配体;之后,配体用于在水性介质中官能化硫化锌纳米颗粒(ZnS NP)。Sb–ZnS NPs被证明是一种双探针,即用于检测Pb2+、Hg2+和Fe3+离子,以及作为降解亚甲基蓝(MB)染料的光催化剂。在日光照射下使用Sb–ZnS NP光催化剂的实验显示,MB降解率为96%,比在黑暗中仅降解66%的染料效率更高。此外,染料的降解遵循一阶速率动力学,光照样品的速率常数较高(16.3 × 10−4 min−1)比保持在黑暗中的(6.85 × 10−4 最小−1)。UV–Vis、PL、FT-IR、TEM和粉末XRD分析已被常规用于本研究。
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引用次数: 0
Physical properties of magnesium fluoride: FPLAPW Approach 氟化镁的物理性质:FPLAPW方法
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-06-16 DOI: 10.1080/01411594.2023.2223335
Abdeldjalil Arroussi, M. Ghezali, Abdelbasset Baida, Belkacem Mahfoud, B. Amiri
ABSTRACT MgF2 is a compound that is transparent to the full spectrum from UV to IR and is a good candidate for UV applications. Structural, optical, electronic and elastic properties of MgF2 compounds in the three phases in which our materials may crystallize have been studied using the linearized full potential self-consistent plane wave (FLAPW) method with Wu-Cohen generalized gradient approximation (WC-GGA) and modified Becke–Johnson potentials. The most remarkable is the similarity between the properties of the three phases at all levels (gaps, optical constants). A comparison of our outcomes with the literature indicates great agreement.
摘要:MgF2是一种对从UV到IR的全光谱透明的化合物,是UV应用的良好候选者。采用线性化全势自洽平面波(FLAPW)方法,结合Wu-Cohen广义梯度近似(WC-GGA)和修正的Becke–Johnson势,研究了材料可能结晶的三相中MgF2化合物的结构、光学、电子和弹性性质。最显著的是三相在所有级别(间隙、光学常数)的性质之间的相似性。将我们的研究结果与文献进行比较表明,两者之间存在很大的一致性。
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引用次数: 0
Synthesis and electrical characterizations of (Sn0.8Ti0.2)O2 electronic material (Sn0.8Ti0.2)O2电子材料的合成及电学性能研究
IF 1.6 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2023-06-07 DOI: 10.1080/01411594.2023.2219808
Limali Sahoo, S. Bhuyan, S. Das
ABSTRACT The ceramic composite electronic material of (Sn0.8Ti0.2)O2 has been synthesized through a cost-effective solid-state ceramic approach. The crystallographic tetragonal structure from the XRD spectrum, hydrophilic porous structure from SEM micrograph, dielectric, conductivity, and electrical modulus in addition to impedance spectroscopy over an extensive range of temperature and frequency have been elucidated. Hydrophilicity, superior dielectric response with significantly low dielectric loss, and enhanced capacitive behaviour draw the major attraction of this ceramic-based material system. The temperature-dependent conductivity spectrum evinces Arrhenius’s behaviour. The grain and grain boundary effects in the synthesized sample has been displayed through the Nyquist spectrum. The non-Debye type of relaxation mechanism has been established through an electric modulus study. The extensive study sketched out this composite as a potential capacitive electronic component for humidity sensor device applications. The investigated electrical parameters associated with the ceramic composite may enlighten the development of functional electronic devices.
采用高性价比的固态陶瓷方法合成了(Sn0.8Ti0.2)O2陶瓷复合电子材料。XRD光谱的晶体四方结构,SEM显微照片的亲水多孔结构,电介质,电导率和电模量以及在广泛的温度和频率范围内的阻抗谱都得到了阐明。亲水性,优异的介电响应和显著的低介电损耗,以及增强的电容行为吸引了这种陶瓷基材料系统的主要吸引力。随温度变化的电导率谱证明了阿伦尼乌斯的行为。通过奈奎斯特谱显示了合成样品中的晶粒和晶界效应。通过电模量研究,建立了非德拜型弛豫机制。广泛的研究概述了这种复合材料作为湿度传感器设备应用的潜在电容电子元件。所研究的与陶瓷复合材料有关的电学参数对功能电子器件的开发具有一定的启发作用。
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引用次数: 0
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Phase Transitions
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