Thermoelectric power of Bi and Bi{sub 1{minus}x}Sb{sub x} alloy thin films and superlattices grown by MBE

Energy Technology Data Exchange (ETDEWEB)

Cho, S; DiVenere, A; Wong, G K; Ketterson, J B; Meyer, J R; Hoffman, C A

1997-07-01

The authors have measured the thermoelectric power (TEP) of MBE-grown epitaxial Bi and Bi{sub 1{minus}x} alloy thin films and superlattices as a function of temperature in the range 20--300 K. They have observed that the TEP of a Bi thin film of 1 {micro}m thickness is in good agreement with the bulk single crystal value and that the TEPs for superlattices with 400 {angstrom} and 800 {angstrom} Bi well thicknesses are enhanced over the bulk values. For x = 0.072 and 0.088 in Bi{sub 1{minus}x}Sb{sub x} thin films showing semiconducting behavior, TEP enhancement was observed by a factor of two. However as Bi or Bi{sub 1{minus}x}Sb{sub x} well thickness decreases in superlattice geometry, the TEP decreases, which may be due to unintentional p-type doping.

An in-situ X-ray diffraction study on the electrochemical formation of PtZn alloys on Pt(1 1 1) single crystal electrode

Energy Technology Data Exchange (ETDEWEB)

Drnec, J., E-mail: drnec@esrf.fr [ESRF, Grenoble (France); Bizzotto, D. [Department of Chemistry, AMPEL, University of British Columbia, Vancouver, BC (Canada); Carlà, F. [ESRF, Grenoble (France); Fiala, R. [Charles University, Faculty of Mathematics and Physics, Prague (Czech Republic); Sode, A. [Ruhr-Universität Bochum, Bochum (Germany); Balmes, O.; Detlefs, B.; Dufrane, T. [ESRF, Grenoble (France); Felici, R., E-mail: felici@esrf.fr [ESRF, Grenoble (France)

2015-11-01

Highlights: • PtZn electrochemical alloying is observed on single crystal Pt electrodes. • In-situ X-ray characterization during alloy formation and dissolution is provided. • Structural model of the surface during alloying and dissolution is discussed. • X-ray based techniques can be used in in-operando studies of bimetallic fuel cell catalysts. - Abstract: The electrochemical formation and dissolution of the oxygen reduction reaction (ORR) PtZn catalyst on Pt(1 1 1) surface is followed by in-situ X-ray diffraction (XRD) and X-ray reflectivity (XRR) measurements. When the crystalline Pt surface is polarized to sufficiently negative potential values, with respect to an Ag/AgCl|KCl reference electrode, the electrodeposited zinc atoms diffuse into the bulk and characteristic features are observed in the X-ray patterns. The surface structure and composition during deposition and dissolution is determined from analysis of XRR curves and measurements of crystal truncation rods. Thin Zn-rich surface layer is present during the alloy formation while a Zn-depleted layer forms during dissolution.

The structural phases and vibrational properties of Mo1-xWxTe2 alloys

Science.gov (United States)

Oliver, Sean M.; Beams, Ryan; Krylyuk, Sergiy; Kalish, Irina; Singh, Arunima K.; Bruma, Alina; Tavazza, Francesca; Joshi, Jaydeep; Stone, Iris R.; Stranick, Stephan J.; Davydov, Albert V.; Vora, Patrick M.

2017-12-01

The structural polymorphism in transition metal dichalcogenides (TMDs) provides exciting opportunities for developing advanced electronics. For example, MoTe2 crystallizes in the 2H semiconducting phase at ambient temperature and pressure, but transitions into the 1T‧ semimetallic phase at high temperatures. Alloying MoTe2 with WTe2 reduces the energy barrier between these two phases, while also allowing access to the T d Weyl semimetal phase. The \\text{M}{{\\text{o}}1-\\text{x}} WxTe2 alloy system is therefore promising for developing phase change memory technology. However, achieving this goal necessitates a detailed understanding of the phase composition in the MoTe2-WTe2 system. We combine polarization-resolved Raman spectroscopy with x-ray diffraction (XRD) and scanning transmission electron microscopy (STEM) to study bulk \\text{M}{{\\text{o}}1-\\text{x}} WxTe2 alloys over the full compositional range x from 0 to 1. We identify Raman and XRD signatures characteristic of the 2H, 1T‧, and T d structural phases that agree with density-functional theory (DFT) calculations, and use them to identify phase fields in the MoTe2-WTe2 system, including single-phase 2H, 1T‧, and T d regions, as well as a two-phase 1T‧  +  T d region. Disorder arising from compositional fluctuations in \\text{M}{{\\text{o}}1-\\text{x}} WxTe2 alloys breaks inversion and translational symmetry, leading to the activation of an infrared 1T‧-MoTe2 mode and the enhancement of a double-resonance Raman process in \\text{2H-M}{{\\text{o}}1-\\text{x}} WxTe2 alloys. Compositional fluctuations limit the phonon correlation length, which we estimate by fitting the observed asymmetric Raman lineshapes with a phonon confinement model. These observations reveal the important role of disorder in \\text{M}{{\\text{o}}1-\\text{x}} WxTe2 alloys, clarify the structural phase boundaries, and provide a foundation for future explorations of phase transitions and electronic phenomena in this

Formation and crystallization kinetics of Nd-Fe-B-based bulk amorphous alloy

Energy Technology Data Exchange (ETDEWEB)

Wu, Qiong; Ge, Hongliang; Zhang, Pengyue; Li, Dongyun; Wang, Zisheng [China Jiliang University, Magnetism Key Laboratory of Zhejiang Province, Hangzhou (China)

2014-06-15

In order to improve the glass-forming ability (GFA) of Nd-Fe-B ternary alloys to obtain fully amorphous bulk Nd-Fe-B-based alloy, the effects of Mo and Y doping on GFA of the alloys were investigated. It was found that the substitution of Mo for Fe and Y for Nd enhanced the GFA of the Nd-Y-Fe-Mo-B alloys. It was also revealed that the GFA of the samples was optimized by 4 at.% Mo doping and increased with theYcontent. The fully amorphous structures were all formed in the Nd{sub 6-x}Y{sub x}Fe{sub 68}Mo{sub 4}B{sub 22} (x =1-5) alloy rods with 1.5 mm-diameter. After subsequent crystallization, the devitrified Nd{sub 3}Y{sub 3}Fe{sub 68}Mo{sub 4}B{sub 22} alloy rod exhibited a uniform distribution of grains with a coercivity of 364.1 kA/m. The crystallization behavior of Nd{sub 3}Y{sub 3}Fe{sub 68}Mo{sub 4}B{sub 22} BMG was investigated in isothermal situation. The Avrami exponent n determined by JAM plot is lower than 2.5, implying that the crystallization is mainly governed by a growth of particles with decreasing nucleation rate. (orig.)

Optical characterization of bulk Zn1-xBexTe crystals

International Nuclear Information System (INIS)

Shih, Y C; Huang, Y S; Firszt, F; Legowski, S; Meczynska, H; Tiong, K K

2008-01-01

This paper presents an optical characterization of three bulk sphalerite Zn 1-x Be x Te crystals grown by the modified high pressure Bridgman method. The study was conducted in the near-band-edge interband transition regime using low temperature photoluminescence (PL), temperature-dependent contactless electroreflectance (CER) and/or photoreflectance (PR) in the temperature range of 15-400 K, and surface photovoltage spectroscopy (SPS) at room temperature. PL spectra at low temperatures of the samples investigated consist of an excitonic line, a band due to recombination of free electrons with holes located at shallow acceptors and a broad band related to recombination through deeper level defects. The band-edge excitonic transitions have been observed in the CER/PR spectra. The fundamental transition energies E 0 are determined via lineshape fits to the CER/PR spectra. The values of E 0 at room temperature obtained from CER/PR spectra correspond well to that determined from SPS measurements, and the Be contents x of the samples are determined using a linear equation which describes the room temperature band gap dependence on composition for the Zn 1-x Be x Te alloy system. The parameters describing the temperature dependence of the band-edge excitonic transition energies are evaluated and discussed

Influence of minor alloying additions on the glass-forming ability of Mg-Ni-La bulk metallic glasses

International Nuclear Information System (INIS)

Gonzalez, S.; Figueroa, I.A.; Todd, I.

2009-01-01

Bulk metallic glasses of Mg 60 Ni 23.6 Y x La (16.4-x) and Mg 65 Ni 20 Y x LaMM (15-x) with 0 ≤ x ≤ 1 at.% have been produced by injection casting. For the La-containing alloy a maximum amorphous diameter of 4 mm for x = 0.5 and 0.75 was obtained. The LaMM-containing alloy showed a maximum amorphous diameter of 2 mm for x = 0 and 0.25 but decreased to 1 mm with further Y additions. The glass-forming ability of the Mg 60 Ni 23.6 La 16.4 alloy decreased when La is partially substituted by small amounts of small atoms (Si or B) or by large atoms (Y and Si).

Oxidation kinetics of amorphous AlxZr1−x alloys

International Nuclear Information System (INIS)

Weller, K.; Wang, Z.M.; Jeurgens, L.P.H.; Mittemeijer, E.J.

2016-01-01

The oxidation kinetics of amorphous Al x Zr 1−x alloys (solid solution) has been studied as function of the alloy composition (0.26 ≤ x ≤ 0.68) and the oxidation temperature (350 °C ≤ T ≤ 400 °C; at constant pO 2  = 1 × 10 5  Pa) by a combinatorial approach using spectroscopic ellipsometry (SE), Auger electron spectroscopy (AES) depth profiling, transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis. Thermal oxidation of the am-Al x Zr 1−x alloys results in the formation of an amorphous oxide overgrowth with a thermodynamically preferred singular composition, corresponding to a constant Al ox /Zr ox ratio of 0.5. Both the solubility and the diffusivity of oxygen in the am-Al x Zr 1−x alloy substrate increase considerably with increasing Zr content, in particular for Zr contents above 49 at.% Zr. Strikingly, the oxidation kinetics exhibit a transition from parabolic oxide growth kinetics for Al-rich am-Al x Zr 1−x alloys (x ≥ 0.51) to linear oxide growth kinetics for Zr-rich am-Al x Zr 1−x alloys (x < 0.35). The underlying oxidation mechanism is discussed. It is concluded that the oxidation kinetics of the amorphous Al x Zr 1−x alloys for 0.26 ≤ x ≤ 0.68 and 350 °C ≤ T ≤ 400 °C are governed by: (i) the atomic mobilities of O and Al in the alloy substrate at the reacting oxide/alloy interface, (ii) the solubility of O in the substrate and (iii) the compositional constraint due to the thermodynamically preferred formation of an amorphous oxide phase of singular composition.

First-principles study on half-metallic ferromagnetic properties of Zn1- x V x Se ternary alloys

Science.gov (United States)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-09-01

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn1- x V x Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction.

Hydrogen absorption in Ce{sub x}Gd{sub 1-x} alloys

Energy Technology Data Exchange (ETDEWEB)

Bereznitsky, M. [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Bloch, J. [Nuclear Research Center-Negev, P.O. Box 9001, Beer Sheva 84190 (Israel); Yonovich, M. [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Schweke, D. [Nuclear Research Center-Negev, P.O. Box 9001, Beer Sheva 84190 (Israel); Mintz, M.H. [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Nuclear Research Center-Negev, P.O. Box 9001, Beer Sheva 84190 (Israel); Jacob, I., E-mail: izi@bgu.ac.il [Department of Nuclear Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel)

2012-08-15

Highlights: Black-Right-Pointing-Pointer Ce{sub x}Gd{sub 1-x} alloys exhibit the most negative heats of hydride formation ever found. Black-Right-Pointing-Pointer Thermodynamics of H absorption in Ce{sub x}Gd{sub 1-x} correlates with the alloys hardness. Black-Right-Pointing-Pointer The entropies of H solution and hydride formation reflect the hydrogen vibrations. Black-Right-Pointing-Pointer Terminal hydrogen solubilities change in a monotonic way between Ce and Gd. - Abstract: The effect of alloying on the thermodynamics of hydrogen absorption was studied for Ce{sub x}Gd{sub 1-x} alloys (0 {<=} x {<=} 1) at temperatures between 850 K and 1050 K in the 1-10{sup -4} Torr pressure range. The temperature-dependent hydrogen solubilities and plateau pressures for hydride formation were obtained from hydrogen absorption isotherms. The terminal hydrogen solubility (THS) at a given temperature changes in a monotonic way as a function of x. It is approximately three times higher in Gd, than in Ce, throughout the investigated temperature range. This monotonic behavior is opposed to that of many other substitutional alloys, for which the hydrogen terminal solubility increases with increasing solute concentrations. The enthalpies, {Delta}H{sub f}, and the entropies, {Delta}S{sub f}, of the dihydride formation exhibit a pronounced and broad negative minimum starting at x Almost-Equal-To 0.15, yielding the most negative {Delta}H{sub f} values ever found for metal hydrides. On the other hand, the enthalpies and entropies of ideal solution display a positive trend at x = 0.15 and x = 0.3. Both behaviors are considered in view of a reported distinct variation of the Ce{sub x}Gd{sub 1-x} hardness as a function of x. The particular compositional variations of the entropies of solution and formation as a function of x reflect most likely the vibrational properties of the hydrogen atoms in the metal matrices.

Mn and Fe Impurities in Si$_{1-x}$ Ge$_{x}$ alloys

CERN Multimedia

2002-01-01

Following our investigations of Mn and Fe impurities in elemental semiconductors and in silicon in particular by means of on-line $^{57}$Fe Mössbauer spectroscopy, utilizing radioactive $^{57}$Mn$^{+}$ ion beams at ISOLDE, we propose to extend these studies to bulk and epitaxially-grown Si$_{1-x}$Ge$_{x}$ alloys. In these materials, although already successfully employed in electronic devices, little is known about point defects and important harmful 3d impurities. The experiments aim to determine a variety of fundamental properties: The lattice location of ion-implanted Mn/Fe, the electronic and vibrational properties of dilute Fe impurities in different lattice sites, the charge-state and composition dependence of the diffusivity of interstitial Fe on an atomic scale, the reactions and formation of complexes with lattice defects created by the $^{57}$Mn implantation or by the recoil effect in the nuclear decay to the Mössbauer state of $^{57m}$Fe. Feasibility studies in 2003 indicate that these aims can b...

Structural analysis of quaternary Se{sub 85−x}Sb{sub 10}In{sub 5}Ag{sub x} bulk glassy alloys

Energy Technology Data Exchange (ETDEWEB)

Sharma, Rita, E-mail: reetasharma2012@gmail.com; Sharma, Shaveta; Kumar, Praveen; Chander, Ravi; Thangaraj, R.; Mian, M. [Semiconductors Laboratory, Department of Physics, GND University, Amritsar (India)

2015-08-28

The physical properties of chalcogenide semiconductor have attracted much attention recently due to their applications in optical recording media and inorganic resist due to photo induced structural transformations observed in these materials. The bulk samples of Se{sub 85-x}Sb{sub 10}In{sub 5}Ag{sub x} system are prepared by melt-quenching technique. X-ray diffraction technique and RAMAN spectroscopy have been used to study the role of Ag additive on the amorphous/crystalline nature and molecular structure of Se{sub 85}Sb{sub 10}In{sub 5} glassy alloys. The phases Sb{sub 2}Se{sub 3}, In-Sb and In{sub 2}Se{sub 3} has been observed by X-ray diffraction. The formation of AgInSe{sub 2} phase along with the enhancement in intensity has been observed with the Ag addition.Three bands observed by raman spectroscopy for Se85Sb10In5 are at 70 cm-1, 212cm-1 and 252cm-1. The formation of small bands up to wavenumber 188cm{sup -1} and shifting in second band along with the increase in intensity up to sample x=5 has been observed with the Ag addition. The enhancement in intensity in third band with Ag content has been observed.

Moment mapping of body-centered-cubic Fe{sub x}Mn{sub 1−x} alloy films on MgO(001)

Energy Technology Data Exchange (ETDEWEB)

Idzerda, Y. U., E-mail: idzerda@physics.montana.edu; Bhatkar, H. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States); Arenholz, E. [Advanced Light Source, Lawrence Berkeley National Laboratories, Berkeley, California 59717 (United States)

2015-05-07

The alloy composition and elemental magnetic moments of bcc single crystal films of compositionally graded Fe{sub x}Mn{sub 1−x} films (20 nm thick films with 0.8 ≤ x ≤ 0.9) grown on MgO(001) are spatially mapped using X-ray absorption spectroscopy and magnetic circular dichroism. Electron diffraction measurements on single composition samples confirmed that the structure of Fe{sub x}Mn{sub 1−x} films remained epitaxial and in the bcc phase from 0.65 ≤ x ≤ 1, but rotated 45° with respect to the MgO(001) surface net. This is beyond the bulk bcc stability limit of x = 0.88. The Fe moment is found to gradually reduce with increasing Mn content with a very abrupt decline at x = 0.85, a slightly higher composition than observed in the bulk. Surprisingly, the Mn exhibits a very small net moment (<0.1 μ{sub B}) at all compositions, suggesting a complex Mn spin structure.

Structural, electronic, mechanical, thermal and optical properties of B(P,As)1-xNx; (x = 0, 0.25, 0.5, 0.75, 1) alloys and hardness of B(P,As) under compression using DFT calculations

Science.gov (United States)

Viswanathan, E.; Sundareswari, M.; Jayalakshmi, D. S.; Manjula, M.; Krishnaveni, S.

2017-09-01

First principles calculations are carried out in order to analyze the structural, electronic, mechanical, thermal and optical properties of BP and BAs compounds by ternary alloying with nitrogen namely B(P,As)1-xNx (x = 0.25, 0.5, 0.75) alloys at ambient condition. Thereby we report the mechanical and thermal properties of B(P,As)1-xNx (x = 0.25, 0.5, 0.75) alloys namely bulk modulus, shear modulus, Young's modulus, hardness, ductile-brittle nature, elastic wave velocity, Debye temperature, melting point, etc.; optical properties of B(P)1-xNx (x = 0.25, 0.5, 0.75) and B(As)1-xNx (x = 0.25, 0.75) alloys namely the dielectric function of real and imaginary part, refractive index, extinction coefficient and reflectivity and the hardness profile of the parent compounds BP and BAs under compression. The charge density plot, density of states histograms and band structures are plotted and discussed for all the ternary alloys of the present study. The calculated results agree very well with the available literature. Analysis of the present study reveals that the ternary alloy combinations namely BP.25N.75 and BAs.25N.75 could be superhard materials; hardness of BP and BAs increases with compression.

Effect of the La/Mg ratio on the structure and electrochemical properties of La xMg 3- xNi 9 ( x=1.6-2.2) hydrogen storage electrode alloys for nickel-metal hydride batteries

Science.gov (United States)

Liao, B.; Lei, Y. Q.; Chen, L. X.; Lu, G. L.; Pan, H. G.; Wang, Q. D.

Effect of La/Mg ratio on the structure and electrochemical properties of La xMg 3- xNi 9 ( x=1.6-2.2) ternary alloys was investigated. All alloys are consisted of a main phase with hexagonal PuNi 3-type structure and a few impurity phases (mainly LaNi 5 and MgNi 2). The increase of La/Mg ratio in the alloys leads to an increase in both the cell volume and the hydride stability. The discharge capacity of the alloys at 100 mA/g increases with the increase of La/Mg ratio and passes though a maximum of 397.5 mAh/g at x=2.0. As the La/Mg ratio increases, the high-rate dischargeability of the alloy electrodes at 1200 mA/g HRD 1200 decreases from 66.7% ( x=1.6) to 26.5% ( x=2.2). The slower decrease of HRD 1200 (from 66.7 to 52.7%) of the alloys with x=1.6-2.0 is mainly attributed to the decrease of electrocatalytic activity of the alloys for charge-transfer reaction, the more rapid decrease of HRD 1200 of the alloys with x>2.0 is mainly attributed to the lowering of the hydrogen diffusion rate in the bulk of alloy. The cycling capacity degradation of the alloys is rather fast for practical application due to the corrosion of La and Mg and the large VH in the hydride phase.

Moessbauer effect study on mechanically alloyed amorphous Fe1-xTix alloys

International Nuclear Information System (INIS)

Chen Hong; Xu Zuxiong; Ma Ruzhang; Zhao Zhongtao; Ping Jueyun

1994-01-01

Amorphous Fe 1-x Ti x (x = 0.50, 0.60) powders were produced by mechanical alloying from pure elemental powders in a vibratory ball-mill. X-ray diffraction (XRD) and Moessbauer effect (ME) were used to study the progress of amorphization and the property of hydrogen absorption in Fe-Ti alloys. The amorphization process and the properties of the amorphous phase are discussed. (orig.)

Hydrogen absorption in CexGd1−x alloys

International Nuclear Information System (INIS)

Bereznitsky, M.; Bloch, J.; Yonovich, M.; Schweke, D.; Mintz, M.H.; Jacob, I.

2012-01-01

Highlights: ► Ce x Gd 1−x alloys exhibit the most negative heats of hydride formation ever found. ► Thermodynamics of H absorption in Ce x Gd 1−x correlates with the alloys hardness. ► The entropies of H solution and hydride formation reflect the hydrogen vibrations. ► Terminal hydrogen solubilities change in a monotonic way between Ce and Gd. - Abstract: The effect of alloying on the thermodynamics of hydrogen absorption was studied for Ce x Gd 1−x alloys (0 ≤ x ≤ 1) at temperatures between 850 K and 1050 K in the 1–10 −4 Torr pressure range. The temperature-dependent hydrogen solubilities and plateau pressures for hydride formation were obtained from hydrogen absorption isotherms. The terminal hydrogen solubility (THS) at a given temperature changes in a monotonic way as a function of x. It is approximately three times higher in Gd, than in Ce, throughout the investigated temperature range. This monotonic behavior is opposed to that of many other substitutional alloys, for which the hydrogen terminal solubility increases with increasing solute concentrations. The enthalpies, ΔH f , and the entropies, ΔS f , of the dihydride formation exhibit a pronounced and broad negative minimum starting at x ≈ 0.15, yielding the most negative ΔH f values ever found for metal hydrides. On the other hand, the enthalpies and entropies of ideal solution display a positive trend at x = 0.15 and x = 0.3. Both behaviors are considered in view of a reported distinct variation of the Ce x Gd 1−x hardness as a function of x. The particular compositional variations of the entropies of solution and formation as a function of x reflect most likely the vibrational properties of the hydrogen atoms in the metal matrices.

Structural and electronic properties of Ga{sub 1-x}In{sub x} As{sub 1-y}N{sub y} quaternary semiconductor alloy on GaAs substrate

Energy Technology Data Exchange (ETDEWEB)

Aslan, Metin, E-mail: maslan@sakarya.edu.tr [Sakarya University, Art, Science Faculty, Department of Physics, Esentepe Campus, 54187 Sakarya (Turkey); Yalc Latin-Small-Letter-Dotless-I n, Battal G.; Uestuendag, Mehmet [Sakarya University, Art, Science Faculty, Department of Physics, Esentepe Campus, 54187 Sakarya (Turkey)

2012-04-05

Highlights: Black-Right-Pointing-Pointer In this study we used DFT in the frame of LDA approach to determine electronic and structural properties of GaInAsN alloy. Black-Right-Pointing-Pointer We calculated lattice parameter and band gap energy of binary (GaAs, InAs, and GaN), ternary (GaInAs, GaAsN) and quaternary (GaInAsN) semiconductor alloys. Black-Right-Pointing-Pointer We formulated lattice parameter of GaInAsN respect to In and N composition. Black-Right-Pointing-Pointer We investigated different In and N composition of GaInAsN/GaAs heterostructure for various device applications. - Abstract: We have presented structural and electronic properties of binary (GaAs, GaN and InAs), ternary (Ga{sub 1-x}In{sub x}As and GaAs{sub 1-y}N{sub y}) and quaternary (Ga{sub 1-x}In{sub x}As{sub 1-y}N{sub y}) semiconductor alloys by using a first-principles pseudopotential technique. The structural and electronic properties of Zinc-Blende phase of these materials have been calculated by using the local density approximation (LDA) of the density-functional theory (DFT). To obtain the lattice parameter and band gap energy of the (GaInAsN) quaternary semiconductor alloy we separately calculated the lattice constant and band gap energies of ternary semiconductor alloys, namely GaAsN and GaInAs. The calculated lattice constant, bulk modulus and the direct band gaps for studied semiconductors showed great parallelism with the previous available theoretical and experimental studies.

First-principles study on half-metallic ferromagnetic properties of Zn{sub 1-x}V{sub x}Se ternary alloys

Energy Technology Data Exchange (ETDEWEB)

Khatta, Swati; Tripathi, S.K.; Prakash, Satya [Panjab University, Central of Advanced Study in Physics, Department of Physics, Chandigarh (India)

2017-09-15

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn{sub 1-x}V{sub x}Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction. (orig.)

Structural and electronic properties of zinc blende B{sub x}Al{sub 1-x}N{sub y}P{sub 1-y} quaternary alloys via first-principle calculations

Energy Technology Data Exchange (ETDEWEB)

Abdiche, A., E-mail: abdiche_a@yahoo.fr [Engineering Physics Laboratory, Tiaret University, 14000 Tiaret (Algeria); Baghdad, R. [Engineering Physics Laboratory, Tiaret University, 14000 Tiaret (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Department of Physics and Astronomy, King Saud University, P.O Box 2455, Riyadh 11451 (Saudi Arabia); Riane, R. [Computational Materials Science Laboratory, University Research of Sidi-Bel-Abbes, 22000 Algeria (Algeria); Al-Douri, Y. [Institute of Nono Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Guemou, M. [Engineering Physics Laboratory, Tiaret University, 14000 Tiaret (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, King Saud University, P.O Box 2455, Riyadh 11451 (Saudi Arabia)

2012-02-01

The structural and electronic properties of cubic zinc blende BN, BP, AlN and AlP compounds and their B{sub x}Al{sub 1-x}N{sub y}P{sub 1-y} quaternary alloys, have been calculated using the non relativistic full-potential linearized-augmented plane wave FP-LAPW method. The exchange-correlation potential is treated with the local density approximation of Perdew and Wang (LDA-PW) as well as the generalized gradient approximation (GGA) of Perdew-Burke and Ernzerhof (GGA-PBE). The calculated structural properties of BN, BP, AlN and AlP compounds are in good agreement with the available experimental and theoretical data. A nonlinear variation of compositions x and y with the lattice constants, bulk modulus, direct and indirect band gaps is found. The calculated bowing of the fundamental band gaps is in good agreement with the available experimental and theoretical value. To our knowledge this is the first quantitative theoretical investigation on B{sub x}Al{sub 1-x}N{sub y}P{sub 1-y} quaternary alloy and still awaits experimental confirmations.

Bulk amorphous Mg-based alloys

DEFF Research Database (Denmark)

Pryds, Nini

2004-01-01

are discussed in this paper. On the basis of these measurements phase diagrams of the different systems were constructed. Finally, it is demonstrated that when pressing the bulk amorphous alloy onto a metallic dies at temperatures within the supercooled liquid region, the alloy faithfully replicates the surface...

Investigation of new type Cu-Hf-Al bulk glassy alloys

International Nuclear Information System (INIS)

Nagy, E; Ronto, V; Solyom, J; Roosz, A

2009-01-01

In the last years new type Cu-Hf-Al ternary alloys were developed with high glass forming ability and ductility. The addition of Al to Cu-Hf alloys results in improvements in glass formation, thermal stability and mechanical properties of these alloys. We have investigated new Cu-based bulk amorphous alloys in Cu-Hf-Al ternary system. The alloys with Cu 49 Hf 42 Al 9 , Cu 46 Hf 45 Al 9 , Cu 50 Hf 42.5 Al 7.5 and Cu 50 Hf 45 Al 5 compositions were prepared by arc melting. The samples were made by centrifugal casting and were investigated by X-ray diffraction method. Thermodynamic properties were examined by differential scanning calorimetry and the structure of the crystallising phases by scanning electron microscopy. The determination of liquidus temperatures of alloys were measured by differential thermal analysis.

Raman scattering from Ge{sub 1-x}Sn{sub x} (x ≤ 0.14) alloys

Energy Technology Data Exchange (ETDEWEB)

Navarro C, H.; Rodriguez, A. G.; Vidal, M. A. [Universidad Autonoma de San Luis Potosi, Coordinacion para la Innovacion y la Aplicacion de la Ciencia y la Tecnologia, Alvaro Obregon No. 64, 78000 San Luis Potosi, S. L. P. (Mexico); Perez Ladron de G, H. [Universidad de Guadalajara, Centro Universitario de los Lagos, Av. Enrique Diaz de Leon No. 1144, Col. Paseos de la Montana, 47460 Lagos de Moreno, Jalisco (Mexico)

2015-07-01

Ge{sub 1-x}Sn{sub x} alloys with x concentration up to 0.14 were grown on Ge(001) and GaAs(001) substrates in a conventional R. F. Magnetron Sputtering system at low substrate temperatures. The structural characteristics of these alloys were studied for different Sn concentrations between 1 to 14% by high resolution X-ray diffraction, and Raman spectroscopy. Contrasting characteristics of the grown layers are observed if the Sn concentration is larger or smaller than 6% as revealed by X-ray diffraction and Raman spectroscopy. (Author)

Low Thermal Conductivity of Bulk Amorphous Si1- x Ge x Containing Nano-Sized Crystalline Particles Synthesized by Ball-Milling Process

Science.gov (United States)

Muthusamy, Omprakash; Nishino, Shunsuke; Ghodke, Swapnil; Inukai, Manabu; Sobota, Robert; Adachi, Masahiro; Kiyama, Makato; Yamamoto, Yoshiyuki; Takeuchi, Tsunehiro; Santhanakrishnan, Harish; Ikeda, Hiroya; Hayakawa, Yasuhiro

2018-06-01

Amorphous Si0.65Ge0.35 powder containing a small amount of nano-sized crystalline particles was synthesized by means of the mechanical alloying process. Hot pressing for 24 h under the pressure of 400 MPa at 823 K, which is below the crystallization temperature, allowed us to obtain bulk amorphous Si-Ge alloy containing a small amount of nanocrystals. The thermal conductivity of the prepared bulk amorphous Si-Ge alloy was extremely low, showing a magnitude of less than 1.35 Wm-1 K-1 over the entire temperature range from 300 K to 700 K. The sound velocity of longitudinal and transverse waves for the bulk amorphous Si0.65Ge0.35 were measured, and the resulting values were 5841 m/s and 2840 m/s, respectively. The estimated mean free path of phonons was kept at the very small value of ˜ 4.2 nm, which was mainly due to the strong scattering limit of phonons in association with the amorphous structure.

First-principles calculations of the structural, electronic and optical properties of cubic B{sub x}Ga{sub 1-x}As alloys

Energy Technology Data Exchange (ETDEWEB)

Guemou, M., E-mail: guemoumhamed7@gmail.com [Engineering Physics Laboratory, University Ibn Khaldoun of Tiaret, BP 78-Zaaroura, Tiaret 14000 (Algeria); Bouhafs, B. [Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria); Abdiche, A. [Applied Materials Laboratory, Research Center, University of Sidi Bel Abbes, 22000 Sidi Bel Abbes (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Al Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Perlis (Malaysia); Bin Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)

2012-04-15

Density functional calculations are performed to study the structural, electronic and optical properties of technologically important B{sub x}Ga{sub 1-x}As ternary alloys. The calculations are based on the total-energy calculations within the full-potential augmented plane-wave (FP-LAPW) method. For exchange-correlation potential, local density approximation (LDA) and the generalized gradient approximation (GGA) have been used. The structural properties, including lattice constants, bulk modulus and their pressure derivatives, are in very good agreement with the available experimental and theoretical data. The electronic band structure, density of states for the binary compounds and their ternary alloys are given. The dielectric function and the refractive index are also calculated using different models. The obtained results compare very well with previous calculations and experimental measurements.

The electronic structure of Cu(In1-xGax)Se2 alloyed with silver

International Nuclear Information System (INIS)

Erslev, Peter T.; Lee, JinWoo; Hanket, Gregory M.; Shafarman, William N.; Cohen, J. David

2011-01-01

We have examined the electronic properties of (Ag 1-x Cu x )(In 1-y Ga y )Se 2 (ACIGS) alloys over a wide range of compositions to assess whether such alloys might allow one to achieve larger values of V OC at larger band gaps compared to the Cu(In 1-y Ga y )Se 2 (CIGS) alloys. Our studies employed junction capacitance techniques such as drive level capacitance profiling (DLCP) and transient photocapacitance (TPC) spectroscopy, as well as temperature dependent J-V measurements. The TPC spectra revealed not only that the band gap did indeed increase as the Ag-fraction was increased, but also that the bandtailing (or Urbach energies) in all ACIGS samples were substantially smaller than for CIGS samples of corresponding band gaps. This indicates that the Ag alloying somehow reduces the degree of disorder present. The DLCP measurements indicated very low free carrier densities, on the order of 10 14 cm -3 , as well as evidence of defects located at the CdS/ACIGS junction. Temperature-dependent I-V measurements revealed a distinct 'kink' in the V OC vs T characteristics, suggesting a transition from an interface-trap limited regime to a bulk-limited regime. At temperatures below 250 K, the V OC increased by up to 0.1 V as the sample was light soaked. This suggests that the interface traps limiting the V OC can be passivated by exposure to light.

Similar and dissimilar friction welding of Zr-Cu-Al bulk glassy alloys

International Nuclear Information System (INIS)

Shin, Hyung-Seop; Park, Jung-Soo; Jung, Yoon-Chul; Ahn, Jung-Ho; Yokoyama, Yoshihiko; Inoue, Akihisa

2009-01-01

The friction welding of three kinds of Zr-Cu-Al bulk glassy alloys (BGAs) which show eutectic or hypoeutectic compositions to similar and dissimilar BGAs and crystalline metals has been tried. The shape and volume of the protrusion formed at the weld interface were investigated. In order to characterize the friction welded interface, micrographic observation and X-ray diffraction analysis on the weld cross-section were carried out. A successful joining of Zr-Cu-Al bulk glassy alloys to similar and dissimilar BGAs was achieved without occurrence of crystallizations at the weld interface through the precise control of friction conditions. In addition, the joining of Zr 50 Cu 40 Al 10 BGA to crystalline alloys was tried, but it was only successful for specific material combinations. The residual strength after welding of dissimilar BGAs was evaluated by the four-point bending test.

Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys

Energy Technology Data Exchange (ETDEWEB)

Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr [Zirve University Faculty of Education, 27260, Gaziantep (Turkey)

2016-06-15

Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.

Research for magnetocaloric effect of Gd{sub 1-x}Dy{sub x} alloy

Energy Technology Data Exchange (ETDEWEB)

Hou, Xueling; Shitao, Li; An, Zhang; Hui, Xu; Ni, Jiansen; Zhou, Bangxin [Institute of Materials, Shanghai University, Shanghai 20007 (China)

2007-12-15

The magnetocaloric effect (MEC) in Gd{sub 1-x}Dy{sub x} (x=0.13,0.20,0.27,0.34,0.40) alloys is investigated using commercial elements with purity of up to 99.80% for Gd and Dy. These alloys are prepared by arc melting in stoichiometric proportions on a water-cooled copper crucible under high pure argon atmosphere. As a result, when x was changed from 0 to 40at%, the adiabatic temperature change ({delta}T) increases from 1.6 K to 3.1 K, the Curie temperature decreased from 288 K to 245.5 K. Gd{sub 73}Dy{sub 27} exhibits the largest {delta}T{sub max} value of 3.1 K at the T{sub C} value of 260 K among the alloys investigated up to 1.2 T (tesla) applied field, it is almost same as the {delta}T of high pure unitary Gd (99.99%) and is clearly superior to commercial unitary Gd (99.80%). The T{sub C} of Gd{sub 73}Dy{sub 27} alloy is minor to high pure unitary Gd (99.99%) and commercially unitary Gd (99.80%). But this alloy prepared by commercial elements with low cost has better MEC to be a promising candidate for magnetic working substances for room temperature magnetic refrigeration. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Giant magnetoresistive properties of FexAu100-x alloys produced by mechanical alloying

International Nuclear Information System (INIS)

Socolovsky, L.M.; Sanchez, F.H.; Shingu, P.H.

2001-01-01

The Fe x Au 100- x alloys were produced for the first time by mechanical alloying. Resistance of samples with iron concentrations of x=15, 20, 25, and 30 at% were measured at 77 K under an applied field of 14 kOe. A maximum in magnetoresistive ratio (Δρ/ρ) of 3.5% was obtained for Fe 25 Au 75 . Samples were annealed in order to enhance magnetoresistive properties. These samples exhibit larger ratios, primarily due to the elimination of defects. X-ray diffraction Moessbauer spectroscopy and magnetoresistance measurements were performed, in order to correlate bulk and hyperfine magnetic properties with crystalline structure. X-ray diffractograms show an FCC structure, with no evidence for a BCC one

Preparation and properties of Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Zhang, Ling; Ma, XiuHua [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Li, Qiang, E-mail: qli@xju.edu.cn [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Zhang, Jijun [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Dong, Yaqiang; Chang, Chuntao [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China)

2014-09-01

Highlights: • Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} (x = 20–50 at.%) BMGs were prepared by fluxing and J-quenching techniques. • The highest GFA is reached at x = 40 and the corresponding critical diameter is up to 2.5 mm. • The present FeNi-based BMGs exhibit very large ε{sub p} and the ε{sub p} of Fe{sub 30}Ni{sub 50}P{sub 14}B{sub 6} BMG is 11.7%. • The present FeNi-based BMGs have much higher corrosion resistance than stainless steel. - Abstract: Bulk Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} (x = 20, 30, 40, 50 at.%) glassy alloy rods with the diameters of 1.0–2.5 mm were synthesized by combining fluxing technique and J-quenching technique. The glassy alloy rods were characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and vibrating sample magnetometer (VSM). It is found that the range of supercooled liquid region (ΔT{sub x}) is 27–32 K. The saturation magnetization of Fe{sub 80−x}Ni{sub x}P{sub 14}B{sub 6} (x = 20, 30, 40, 50 at.%) bulk glassy alloys gradually decreases from 1.13 T to 0.58 T with increasing Ni content from x = 20 to x = 50. More importantly, the present quaternary FeNiPB bulk metallic glasses (BMGs) shows a significant plastic strain, in particular, the plastic strain of Fe{sub 30}Ni{sub 50}P{sub 14}B{sub 6} BMG reaches as high as 11.7%. The corrosion resistance of the present FeNiPB BMGs was studied by weight-loss method, potentiodynamic polarization curves and scanning electron microscopy (SEM). It is shown that the corrosion resistance of the present FeNiPB BMGs in 0.5 M NaCl and 1 M HCl solution increases with Ni content, and further the present FeNiPB BMGs exhibit larger E{sub corr} values and lower I{sub corr} values, i.e. higher corrosion resistances, than that of stainless steel.

Peculiarity of electron optical orientation in Hg1-xMnxTe and Hg1-xCdxTe alloys

International Nuclear Information System (INIS)

Georgitseh, E.I.; Ivanov-Omskij, V.I.; Pogorletskij, V.M.

1991-01-01

To clarify the effect of exchange interaction of electrons with manganese ions on electron spin relaxation, a study was made on optical orientation in Hg 1-x Mn x Te alloy and Hg 1-x Cd x Te alloys with similar parameters of energy spectrum at 4.2 K. It is shown that exchange interaction in semimagnetic Hg 1-x Mn x Te solutions, caused by the presence of manganese ions, reduced the time of spin relaxation. However, this reduction is not sufficient make optical orientation of electrons not observable

Thermally stimulated current analysis of Zn{sub 1-x}Cd{sub x}O alloy films

Energy Technology Data Exchange (ETDEWEB)

Aybek, A. Senol, E-mail: saybek@anadolu.edu.tr [Department of Physics, Anadolu University, Eskisehir 26470 (Turkey); Baysal, Nihal [Kilicoglu Anadolu High School, Eskisehir 26050 (Turkey); Zor, Muhsin; Turan, Evren; Kul, Metin [Department of Physics, Anadolu University, Eskisehir 26470 (Turkey)

2011-02-03

Research highlights: > We have studied the structural and electrical properties of Zn{sub 1-x}Cd{sub x}O alloy films deposited by ultrasonic spray pyrolysis technique. > The trap energy, the capture cross-section, the attempt-to-escape frequency and the concentration of the traps in Zn{sub 1-x}Cd{sub x}O films are reported. > The effect of the Cd incorporation into ZnO material on trapping levels was investigated by the TSC measurements. Two overlapped peaks were registered at levels of 0.033 and 0.197 eV in ZnO sample by the curve fitting technique. The observed trap energy levels for ZnO film is thought to originate from zinc interstitials and oxygen vacancies. However, the incorporation of Cd into Zn{sub 1-x}Cd{sub x}O alloy films with x = 0.59 have resulted in two trapping centers with activation energies of 0.118 and 0.215 eV. The observed trap levels in Zn{sub 0.41}Cd{sub 0.59}O alloy film are related to oxygen adsorption in the sample. - Abstract: We have studied the structural and electrical properties of Zn{sub 1-x}Cd{sub x}O alloy films deposited by ultrasonic spray pyrolysis technique. XRD measurement indicated that pure ZnO and CdO samples had single phases with hexagonal wurtzite and cubic structures, respectively. However, Zn{sub 1-x}Cd{sub x}O alloy films with x = 0.59 and 0.78 exhibited mixtures of a hexagonal wurtzite ZnO phase and a cubic CdO phase. Analysis of thermally stimulated current spectra of Zn{sub 1-x}Cd{sub x}O alloy films revealed the existence of a number of overlapped peaks each characterized by different trap energy levels located in the range of 0.033-0.215 eV below the conduction band. We have used curve fitting method for the evaluation of the trap parameters of the alloy films. The values of attempt-to-escape frequency {nu}, capture cross-section S and concentration of the traps N{sub t} have been determined.

First-principles investigation of electronic and structural properties and bowing parameters in SrFCl{sub x}Br{sub 1-x} alloy

Energy Technology Data Exchange (ETDEWEB)

Mokhtari, A [Simulation Laboratory, Department of Physics, Shahrekord University, Shahrekord (Iran, Islamic Republic of)

2007-10-31

The first ab initio calculations have been performed to study the structural and electronic properties of technologically important SrFCl{sub x}Br{sub 1-x} quaternary alloys (for x equal to 0.0, 0.25, 0.5, 0.75 and 1.0) using the full-potential linearized augmented-plane-wave method within density-functional theory. The Perdew et al generalized-gradient approximation (GGA96), which is based on exchange-correlation energy optimization, is utilized to optimize the internal parameters by relaxing the atomic positions in the force directions and to calculate the total energy. Both the Engel-Vosko's generalized-gradient approximation (EV-GGA), which optimizes the exchange-correlation potential, and GGA96 are used for band structure calculations. The effect of composition on the equilibrium volume, cohesive energy, band gap and mean values of the bond length, shows nonlinear dependence, but on the bulk modulus it exhibits nearly linear concentration dependence (LCD). The results obtained show that the quaternary alloy of interest could be an appropriate material for using in an optical apparatus.

Geometric Effects of La1+xMg2-xNi9 (x=0.0～1.0) Ternary Alloys on Their Hydrogen Storage Capacities

Institute of Scientific and Technical Information of China (English)

Zhiqing YUAN; Guanglie LU; Bin LIAO; Yongquan LEI

2005-01-01

Structural analysis was made using X-ray diffraction (XRD) Rietveld refinement on a series of La1+xMg2-xNi9(x=0.0～1.0) ternary alloys. Results showed that each of La1+xMg2-xNi9 alloys was a PuNi3-type structure stacked by LaNi5 and (La, Mg) Ni2 blocks. Electrochemical tests revealed that discharge abilities of these La-Mg-Ni ternary alloys mainly depended on their atomic distances between (La, Mg) and Ni, which could be modified by varying the atomic ratios of La/Mg.

Band structure of Mgsub(x)Znsub(1-x)Te alloys

International Nuclear Information System (INIS)

Laugier, A.; Montegu, B.; Barbier, D.; Chevallier, J.; Guillaume, J.C.; Somogyi, K.

1980-01-01

The band structure of Mgsub(x)Znsub(1-x)Te alloys is studied using a double beam wavelength modulated system in first derivative mode. Modulated reflectivity measurements are made from 82 to 300 K within spectral range 2500 to 5400 A. Structures corresponding to the E 0 , E 0 + Δ 0 , E 1 , E 1 + Δ 1 , e 1 and e 1 + Δ 1 critical points are indexed on the basis of existing band calculations for ZnTe. (author)

Glass forming ability and magnetic properties of Co(40.2−x)Fe(20.1+x)Ni6.7B22.7Si5.3Nb5 (x=0–10) bulk metallic glasses produced by suction casting

International Nuclear Information System (INIS)

Sarlar, Kagan; Kucuk, Ilker

2015-01-01

The effect of Fe concentration on the glass forming ability (GFA) and magnetic properties in Co (40.2−x) Fe (20.1+x) Ni 6.7 B 22.7 Si 5.3 Nb 5 (x=0–10) bulk metallic glasses were investigated. By suction casting method, the bulk metallic glasses with diameters up to 2 mm were produced. We try to find out which Fe concentration makes an influence on Co based system's magnetic properties and glass forming ability. The curves of thermal analysis, obtained using differential scanning calorimetry (DSC), show that the Co (40.2−x) Fe (20.1+x) Ni 6.7 B 22.7 Si 5.3 Nb 5 (x=0–10) have a supercooled liquid region (∆T x ) of about 44 K. The saturation magnetizations (J s ) for as-cast BMG alloys were in the range of 0.62 T−0.81 T. - Highlights: • The effect of Fe concentration on the glass forming ability. • The substitution of an appropriate amount of Fe can enhance the GFA. • The substitution of Fe for Co also improves soft magnetic properties of the BMGs. • The high of J s 0.62−0.81 T with a low H c of 2−289 A/m of the alloys

Structural and magnetic properties of rapidly quenched and as-cast bulk NdFeBCu alloys

International Nuclear Information System (INIS)

Sanchez Ll, J.L.; Bustamante S, R.; Barthem, V.M.T.S.; Miranda, P.E.V. de

2005-01-01

A study of the structural and magnetic properties of as-cast and melt spun (x)Nd 2 Fe 14 B(100-x)Nd 70 Cu 30 alloys (x=10, 50 and 75%wt.) is presented. In as-cast alloys for x=10wt%. the formation of a high coercivity phase, referred to as N (T C =240 deg. C, i H C =4.9kOe) is found. N is a (Nd-Fe)-based phase with a Fe/Nd ratio lower than that of phase Nd 2 Fe 14 B (φ). It is suggested that this phase is related to the A 1 phase found in binary Nd-Fe alloys. In melt-spun alloys, at the same x value of 10wt%, another hard phase is found which is suggested to be the Nd 6 Fe 13 Cu δ-phase (T C =192 deg. C, i H C =4.8kOe). Transmission electron microscope (TEM) micrographs of the ribbons with x=10wt% shows the formation of nanograins with a non-uniform grain size distribution. In cast alloys with x=50 and 75wt% large slab-like grains of φ are formed, in the inter-granular region a Nd-Cu eutectic phase and Nd grains, are observed. High coercivities are obtained in ribbons with x=50wt% ( i H C =19.7kOe) and 75wt% ( i H C =13.0kOe). A slight reduction in the Curie temperature of the φ-phase with respect to the bulk value is found in these ribbons

Study of the mechanical and magnetic properties of Fe{sub 61}Co{sub 10}Zr{sub 5-x}Hf{sub x}W{sub 2}Y{sub 2}B{sub 20} (x = 0 or 3) bulk amorphous and crystalline alloys

Energy Technology Data Exchange (ETDEWEB)

Nabialek, Marcin G. [Institute of Physics, Czestochowa University of Technology, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland); Szota, Michal [Institute of Materials Engineering, Czestochowa University of Technology, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland); Dospial, Marcin J.

2010-05-15

The microstructure, thermal stability, mechanical and magnetic properties of Fe{sub 61}Co{sub 10}Zr{sub 5-x}Hf{sub x}W{sub 2}Y{sub 2}B{sub 20} (where x = 0 or 3) bulk metallic glasses (BMG) and their crystalline equivalents were investigated. The crystalline materials were smelted on a copper mould using an electric arc; their amorphous equivalents were prepared using the induction suction casting method (ISC). All samples investigated were in the form of plates with dimensions of 10x10x0.5mm. From X-ray diffraction and Moessbauer spectroscopy, it was found that both investigated alloys prepared using this method have an amorphous structure. From magnetic measurements obtained by a vibrating sample magnetometer (VSM), it was shown that all measured samples displayed soft magnetic properties with relatively high saturation of the magnetization. The thermal stability and glass-forming ability (GFA) for investigated alloys were derived from differential scanning calorimetry (DSC) curves. The measurements of mechanical properties for amorphous alloys were found to be better than those for crystalline alloys with the same atomic composition. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Synthesis and mechanical properties of bulk Al{sub 76}Ni{sub 8}Ti{sub 8}Zr{sub 4}Y{sub 4} alloy fabricated by consolidation of mechanically alloyed amorphous powders

Energy Technology Data Exchange (ETDEWEB)

Wang, Xinfu; Wang, Kun; Li, Zhendong; Wang, Xingfu; Wang, Dan; Han, Fusheng, E-mail: fshan@issp.ac.cn

2015-05-25

Graphical abstract: Different regions indentation morphologies under 50 g load consolidated at 723 K (left), nanohardness of the Al{sub 76}Ni{sub 8}Ti{sub 8}Zr{sub 4}Y{sub 4} alloy as a function consolidation temperature (right). It can be seen from the above figures that the consolidated sample presents white regions, and the microhardness in the white regions is a little lower than the matrix, which could be caused by the difference of the chemical composition and chemical bonding forces between them. Interestingly, the cracks were formed around the indentation periphery in the white regions, which are not shown in the matrix. The nanohardness of the bulk composites increased from 11.16 to 13.27 GPa with the consolidation temperature increasing, mechanical softening was also found in the present alloys. - Highlights: • Bulk amorphous–nanocrystalline Al-based alloys were prepared by HPS process. • The Vickers microhardness of bulk samples is in the range of 945–1177HV0.1. • The nanohardness agrees well with the Vickers hardness testing results. - Abstract: Mechanically alloyed amorphous Al{sub 76}Ni{sub 8}Ti{sub 8}Zr{sub 4}Y{sub 4} (at.%) alloy powder was consolidated by high-pressure sintering process. The influence of the consolidation temperature on the structure and mechanical properties of the consolidated bulk alloys was examined by X-ray diffraction (XRD), Optical microscopy (OM), Scanning electron microscopy (SEM), Vickers Hardness Tester and Nano Indenter. Structural investigations of the bulk materials revealed that most of the amorphous structure was retained after consolidation at 623 K, however, compaction at 723 K and 823 K caused crystallization of the amorphous phase with the appearance of white regions. The results also indicate that application of high pressure affected the crystallization products of the present alloy. Micro mechanical analysis showed that the microhardness of the bulk composites increased from 945HV{sub 0.1} to 1177HV

High-pressure high-temperature stability of hcp-Ir_xOs_1-x (x = 0.50 and 0.55) alloys

Energy Technology Data Exchange (ETDEWEB)

Yusenko, Kirill V.; Bykova, Elena; Bykov, Maxim; Gromilov, Sergey A.; Kurnosov, Alexander V.; Prescher, Clemens; Prakapenka, Vitali B.; Crichton, Wilson A.; Hanfland, Michael; Margadonna, Serena; Dubrovinsky, Leonid S.

2016-12-23

Hcp-Ir_0.55Os_0.45 and hcp-Ir_0.50Os_0.50 alloys were synthesised by thermal decomposition of single-source precursors in hydrogen atmosphere. Both alloys correspond to a miscibility gap in the Ir–Os binary phase diagram and therefore are metastable at ambient conditions. An in situ powder X-ray diffraction has been used for a monitoring a formation of hcp-Ir0.55Os0.45 alloy from (NH₄)₂[Ir_0.55Os_0.45Cl₆] precursor. A crystalline intermediate compound and nanodimentional metallic particles with a large concentration of defects has been found as key intermediates in the thermal decomposition process in hydrogen flow. High-temperature stability of titled hcp-structured alloys has been investigated upon compression up to 11 GPa using a multi-anvil press and up to 80 GPa using laser-heated diamond-anvil cells to obtain a phase separation into fcc + hcp mixture. Compressibility curves at room temperature as well as thermal expansion at ambient pressure and under compression up to 80 GPa were collected to obtain thermal expansion coefficients and bulk moduli. hcp-Ir_0.55Os_0.45 alloy shows bulk moduli B0 = 395 GPa. Thermal expansion coefficients were estimated as α = 1.6·10^-5 K^-1 at ambient pressure and α = 0.3·10^-5 K^-1 at 80 GPa. Obtained high-pressure high-temperature data allowed us to construct the first model for pressure-dependent Ir–Os phase diagram.

Indium doped Cd{sub 1-x}Zn{sub x}O alloys as wide window transparent conductors

Energy Technology Data Exchange (ETDEWEB)

Zhu, Wei [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, The Center for Physical Experiments, University of Science and Technology of China, Hefei, Anhui 230026 (China); Yu, Kin Man, E-mail: kinmanyu@cityu.edu.hk [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics and Materials Science, City University of Hong Kong, Kowloon (Hong Kong); Walukiewicz, W. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2015-12-31

We have synthesized Indium doped Cd{sub 1-x}Zn{sub x}O alloys across the full composition range using magnetron sputtering method. The crystallographic structure of these alloys changes from rocksalt (RS) to wurtzite (WZ) when the Zn content is higher than 30%. The rocksalt phase alloys in the composition range 0 < x < 0.3 can be efficiently n-type doped, shifting the absorption edge to 3.25 eV and reducing resistivity to about 2.0 × 10{sup −4} Ω-cm. We found that In doped CdO (ICO) transmits more solar photons than commercial fluorine doped tin oxide (FTO) with comparable sheet conductivity. The infrared transmittance is further extended to longer than 1500 nm wavelengths by depositing the In doped Cd{sub 1-x}Zn{sub x}O in ~ 1% of O{sub 2}. This material has a potential for applications as a transparent conductor for silicon and multi-junction solar cells. - Highlights: • Indium doped Cd1-xZnxO alloys across the full composition range were synthesized. • Alloys change from rocksalt (RS) to wurtzite (WZ) when x is higher than 30%. • RS-Cd1-xZnxO phase can be doped with In as efficiently as CdO, achieving a low resistivity ~ 2.0 × 10{sup −4} Ω-cm. • Wide transparency window from 380 to 1200 nm • In doped CdO transmits more solar photons than commercial fluorine doped tin oxide.

Electrical resistivity of amorphous Fesub(1-x) Bsub(x) alloys

International Nuclear Information System (INIS)

Paja, A.; Stobiecki, T.

1984-07-01

The concentration dependence of the electrical resistivity of amorphous Fesub(1-x) Bsub(x) alloys has been studied over a broad composition range. The measurements for RF sputtered films made in the liquid helium temperature have been analyzed in the framework of the diffraction model. The calculated results are in good agreement with the experimental data in the range of concentration 0.12< x <0.37 where samples are amorphous and have a metallic character. (author)

Growth and characterization of NixCu1-x alloy films, NixCu1-x/NiyCu1-y multilayers, and nanowires

International Nuclear Information System (INIS)

Kazeminezhad, I.

2001-12-01

It was found that it is possible to grow Ni x Cu 1-x alloy systems of arbitrary composition by electrodepositing well-defined sub-monolayer quantities of Ni and Cu in alternation using a new method based on that used previously to prepare potentiostatically deposited magnetic multilayers from a single sulphamate-based electrolyte. Following growth, the chemical composition of Ni x Cu 1-x alloy films was obtained by ZAF-corrected energy dispersive X-Ray (EDX) analysis and less than a 4% difference between the nominal and actual composition was observed. The structure of the films was investigated by high-angle X-ray diffractometry (HAXRD) and transmission electron microscopy (TEM). The films grown on polycrystalline Cu substrates had (100) texture, while those grown on Au-coated glass had (111) texture. Some evidence of Ni clustering was obtained by vibrating sample magnetometry (VSM). Self-organisation of the deposited metal was suggested for Ni potentials more positive than ∼-1.4V. The transition from a Ni/Cu multilayer to a Ni x Cu 1-x alloy was also studied and an interesting aspect, namely a plateau region in a plot of magnetisation as a function of Ni layer thickness was observed, suggesting a preferred Ni cluster size in these alloy films. Anisotropic magnetoresistance (AMR) of the films decreased with increasing Cu content at 300K and 77K. SQUID measurements for Ni 0.52 Cu 0.48 and Ni 0.62 CU 0.38 films showed that they become much more strongly ferromagnetic at low temperatures. Evidence for blocked -superparamagnetic behaviour above a blocking temperature (T B ) of the films was obtained from zero-field-cooled (ZFC) and field-cooled (FC) magnetic susceptibility measurements. Ni x Cu 1-x /Ni y Cu 1-y alloy/alloy multilayer films with short repeat distance were successfully fabricated using this method. Up to third order satellite peaks observed in HAXRD showed that the interface is sharp. Room temperature longitudinal magnetoresistance measurements showed

Microemulsion synthesis and magnetic properties of Fe{sub x}Ni{sub (1−x)} alloy nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Beygi, H., E-mail: hossein.beygi@stu-mail.um.ac.ir; Babakhani, A.

2017-01-01

This paper investigates synthesis of Fe{sub x}Ni{sub (1−x)} bimetallic nanoparticles by microemulsion method. Through studying the mechanism of nanoparticles formation, it is indicated that synthesis of nanoparticles took placed by simultaneous reduction of metal ions and so nanoparticles structure is homogeneous alloy. Fe{sub x}Ni{sub (1−x)} nanoparticles with different sizes, morphologies and compositions were synthesized by changing the microemulsion parameters such as water/surfactant/oil ratio, presence of co-surfactant and NiCl{sub 2}·6H{sub 2}O to FeCl{sub 2}·4H{sub 2}O molar ratio. Synthesized nanoparticles were characterized by transmission electron microscopy, particle size analysis, X-ray diffraction, atomic absorption and thermogravimetric analyses. The results indicated that, presence of butanol as co-surfactant led to chain-like arrangement of nanoparticles. Also, finer nanoparticles were synthesized by decreasing the amount of oil and water and increasing the amount of CTAB. The results of vibrating sample magnetometer suggested that magnetic properties of Fe{sub x}Ni{sub (1−x)} alloy nanoparticles were affected by composition, size and morphology of the particles. Spherical and chain-like Fe{sub x}Ni{sub (1−x)} alloy nanoparticles were superparamagnetic and ferromagnetic, respectively. Furthermore, higher iron in the composition of nanoparticles increases the magnetic properties. - Highlights: • Fe{sub x}Ni{sub (1−x)} alloy NPs synthesized by simultaneous metal ions reduction in microemulsion. • Finer NPs synthesized at lower amount of oil and water and higher amount of CTAB. • Chain-like Fe{sub x}Ni{sub (1−x)} NPs are ferromagnetic; higher aspect ratio, more magnetization. • Spherical Fe{sub x}Ni({sub 1−x)} NPs with smaller size (7 nm) are superparamagnetic. • Spherical Fe{sub x}Ni{sub (1−x)} nanoparticles with higher x had increased magnetic properties.

Defect interactions in Sn1−xGex random alloys

KAUST Repository

Chroneos, Alexander; Bracht, H.; Grimes, R. W.; Jiang, C.; Schwingenschlö gl, Udo

2009-01-01

Sn1−xGex alloys are candidates for buffer layers to match the lattices of III-V or II-VI compounds with Si or Ge for microelectronic or optoelectronic applications. In the present work electronic structure calculations are used to study relative energies of clusters formed between Sn atoms and lattice vacancies in Ge that relate to alloys of low Sn content. We also establish that the special quasirandom structure approach correctly describes the random alloy nature of Sn1−xGex with higher Sn content. In particular, the calculated deviations of the lattice parameters from Vegard’s Law are consistent with experimental results.

Defect interactions in Sn1−xGex random alloys

KAUST Repository

Chroneos, Alexander

2009-06-23

Sn1−xGex alloys are candidates for buffer layers to match the lattices of III-V or II-VI compounds with Si or Ge for microelectronic or optoelectronic applications. In the present work electronic structure calculations are used to study relative energies of clusters formed between Sn atoms and lattice vacancies in Ge that relate to alloys of low Sn content. We also establish that the special quasirandom structure approach correctly describes the random alloy nature of Sn1−xGex with higher Sn content. In particular, the calculated deviations of the lattice parameters from Vegard’s Law are consistent with experimental results.

Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

International Nuclear Information System (INIS)

Lee, Kee Ahn; Kim, Yong Chan; Kim, Jung Han; Lee, Chong Soo; Namkung, Jung; Kim, Moon Chul

2007-01-01

The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys

Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

Energy Technology Data Exchange (ETDEWEB)

Lee, Kee Ahn [School of Advanced Materials Engineering, Andong National University, Andong 760-749 (Korea, Republic of)]. E-mail: keeahn@andong.ac.kr; Kim, Yong Chan [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Jung Han [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Lee, Chong Soo [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Namkung, Jung [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Moon Chul [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of)

2007-03-25

The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys.

Magnetic properties of Zn(P/sub x/As/sub 1-x/)2 alloys

International Nuclear Information System (INIS)

Vitkina, T.Z.; Smolyarenko, E.M.; Trukhan, V.M.

1987-01-01

The authors study the magnetic properties of Zn(P/sub x/As/sub 1-x/) 2 alloys. The concentration-dependent magnetic susceptibility of these alloys is shown, as is the temperature dependence of the magnetic susceptibility in solid solutions of the alloys. The diamagnetic susceptibility associated with the valence electrons displays a marked change for a transition to the bound state inasmuch as the valence electrons constitute the chemical bonding in the crystal. The diamagnetic component of the susceptibility of the valence electrons is calculated according to the MO LCAO approximation on the assumption that there is sp 3 -hybridization of the atomic wave function

Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

KAUST Repository

Sahu, R.

2017-03-08

We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.

Ductile Bulk Aluminum-Based Alloy with Good Glass-Forming Ability and High Strength

International Nuclear Information System (INIS)

Long-Chao, Zhuo; Shu-Jie, Pang; Hui, Wang; Tao, Zhang

2009-01-01

Based on a new approach for designing glassy alloy compositions, bulk Al-based alloys with good glass-forming ability (GFA) are synthesized. The cast Al 86 Si 0.5 Ni 4.06 Co 2.94 Y 6 Sc 0.5 rod with a diameter of 1 mm shows almost fully amorphous structure besides about 5% fcc-Al nucleated in the center of the rod. The bulk alloy with high Al concentration exhibits an ultrahigh yield strength of 1.18 GPa and maximum strength of 1.27 GPa as well as an obvious plastic strain of about 2.4% during compressive deformation. This light Al-based alloy with good GFA and mechanical properties is promising as a new high specific strength material with good deformability. (condensed matter: structure, mechanical and thermal properties)

On The Utilization of (1-X)Cu-X Pb) Alloys for Gamma-Rays Shielding

International Nuclear Information System (INIS)

Abd El-Latif, A.A.; Saeid, Kh.S.; Abd El-Latif, A.A.

2011-01-01

The present work deals with the study of the attenuation properties of gamma rays for [(1-X) Cu -X Pb] alloys where, x=10%, 20%, 30%, and 40% Pb waste by weight. Investigation has been performed by measuring the transmitted gamma ray spectra behind cylindrical samples of [(1-X) Cu - X Pb] alloys of different thicknesses. A collimated beam of gamma ray measured by using γ - ray spectrometer NaI(Tl) Scintillation detector with multichannel analyzer (MCA) cassy. Total mass attenuation coefficients (μ/ρ) of γ-ray have been evaluated and calculated using measured results and XCOM code respectively . Comparison between measured and calculated results shows a reasonable divergence at 0.511 MeV ,and 0.662 MeV γ-ray energies, in addition there is a convergence at 1.17 MeV, 1.274 MeV, and 1.3 MeV γ-ray energies

Magnetic properties of (Mn1-xRux)3Ga alloys

International Nuclear Information System (INIS)

Hori, T.; Akimitsu, M.; Miki, H.; Ohoyoama, K.; Yamaguchi, Y.

2002-01-01

We found that the pseudo binary alloys Mn 1-x Ru x 3 Ga, with 0.33≤x≤0.67, have an ordered b.c.c. structure. The lattice constant a is almost constant with respect to x: a=6.000 A for x=0.33 and a=5.992 A for x=0.67. For the alloy with x=0.33, i.e. Mn 2 RuGa, the magnetization is almost saturated in a field of 20 kOe. The saturation magnetization at 4.2 K is 23 emu/g, and the Curie temperature, T C , is 460 K. The T C of (Mn 1-x Ru x ) 3 Ga decreases almost linearly with increasing x, and it vanishes around x=0.67 (MnRu 2 Ga). We also determined atomic and magnetic structures from neutron diffraction experiments. The alloy Mn 2 RuGa (x=0.33) has an ordered structure of CuHg 2 Ti type; the magnetic Mn atoms mainly occupy the 4a (0,0,0) and 4d (3/4,3/4,3/4) sites. We also observed that the magnetic moments of Mn atoms on the 4a and 4d sites are antiparallel to each other; values of the magnetic moment are μ a =4.6 and μ d =3.3 μ B per Mn atom. (orig.)

First-principles investigation of electronic and structural properties and bowing parameters in SrFClxBr1-x alloy

International Nuclear Information System (INIS)

Mokhtari, A

2007-01-01

The first ab initio calculations have been performed to study the structural and electronic properties of technologically important SrFCl x Br 1-x quaternary alloys (for x equal to 0.0, 0.25, 0.5, 0.75 and 1.0) using the full-potential linearized augmented-plane-wave method within density-functional theory. The Perdew et al generalized-gradient approximation (GGA96), which is based on exchange-correlation energy optimization, is utilized to optimize the internal parameters by relaxing the atomic positions in the force directions and to calculate the total energy. Both the Engel-Vosko's generalized-gradient approximation (EV-GGA), which optimizes the exchange-correlation potential, and GGA96 are used for band structure calculations. The effect of composition on the equilibrium volume, cohesive energy, band gap and mean values of the bond length, shows nonlinear dependence, but on the bulk modulus it exhibits nearly linear concentration dependence (LCD). The results obtained show that the quaternary alloy of interest could be an appropriate material for using in an optical apparatus

Features of the Percolation Scheme of Vibrational Spectrum Reconstruction in the Ga1 - x Al x P Alloy

Science.gov (United States)

Kozyrev, S. P.

2018-04-01

Specific features of the properties of Ga-P lattice vibrations have been investigated using the percolation model of a mixed Ga1 - x Al x P crystal (alloy) with zero lattice mismatch between binary components of the alloy. In contrast to other two-mode alloy systems, in Ga1 - x Al x P a percolation splitting of δ 13 cm-1 is observed for the low-frequency mode of GaP-like vibrations. An additional GaP mode (one of the percolation doublet components) split from the fundamental mode is observed for the GaP-rich alloy, which coincides in frequency with the gap corresponding to the zero density of one-phonon states of the GaP crystal. The vibrational spectrum of impurity Al in the GaP crystal has been calculated using the theory of crystal lattice dynamics. Upon substitution of lighter Al for the Ga atom, the calculated spectrum includes, along with the local mode, a singularity near the gap with the zero density of phonon states of the GaP crystal, which coincides with the mode observed experimentally at a frequency of 378 cm-1 in the Ga1 - x Al x P ( x < 0.4) alloy.

Structure and magnetic properties of Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al, (0 ≤ x ≤ 1) Heusler alloys prepared by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Srivastava, Yogesh, E-mail: 123209001_yogesh@manit.ac.in [Department of Materials Science & Metallurgical Engineering, Ceramic & Powder Metallurgy Laboratory, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 (India); Vajpai, Sanjay Kumar, E-mail: vajpaisk@gmail.com [Department of Materials Science & Metallurgical Engineering, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 (India); Srivastava, Sanjay, E-mail: s.srivastava.msme@gmail.com [Department of Materials Science & Metallurgical Engineering, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 (India)

2017-07-01

Highlights: • A series of nanocrystalline Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al Heusler alloy by powder metallurgy. • Effect of substitution of Fe for Cr on the microstructure and magnetic properties. • Increasing amounts of B2 type disordered structure with increasing Fe content. • Enhanced Ms, Mr, Hc, and Tc with increasing Fe content. • Relative magnetic anisotropy decreased with increasing Fe content. - Abstract: In the present study, a series of nanocrystalline Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al Heusler alloy powders were successfully prepared by high energy ball milling and the effect of substitution of Fe for Cr on the microstructure and magnetic properties was investigated in detail. The Co{sub 2}CrAl alloy powder consisted of only A2 type disordered structure whereas the substitution of Cr by Fe led to the appearance of increasing amounts of B2 type disordered structure along with A2 type structure. All the Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al Heusler alloy powders demonstrated high spontaneous magnetization together with a very small hysteresis losses. The saturation magnetization, remanence, coercivity, and Curie temperature increased with increasing Fe content. The increasing magnetization with increasing Fe content was attributed to the replacement of antiferromagnetic Cr by strongly ferromagnetic Fe and an increasing amounts of relatively more ordered, atomically as well as ferromagnetically, B2 structure as compared to that of A2 phase. The increment in remanence and coercivity with increasing Fe content were associated with the variation in microstructural characteristics, such as grain size, lattice defects, and the presence of small amounts of magnetic/nonmagnetic secondary phases. The increment in Curie temperature with increasing Fe content was attributed to the enhancement of d-d exchange interaction due to the possible occupancy of vacant sites by Fe atoms. All the Heusler alloys indicated extremely low magnetic anisotropy and the

Topological Weyl semimetals in Bi1 -xSbx alloys

Science.gov (United States)

Su, Yu-Hsin; Shi, Wujun; Felser, Claudia; Sun, Yan

2018-04-01

We investigated Weyl semimetal (WSM) phases in bismuth antimony (Bi1 -xSbx ) alloys by combination of atomic composition and arrangement. Via first-principles calculations, we found two WSM states with Sb concentrations of x =0.5 and 0.83 with specific inversion-symmetry-broken elemental arrangement. The Weyl points are close to the Fermi level in both of these two WSM states. Therefore, it is likely to obtain Weyl points in Bi-Sb alloy. The WSM phase provides a reasonable explanation for the current transport study of Bi-Sb alloy with the violation of Ohm's law [D. Shin, Y. Lee, M. Sasaki, Y. H. Jeong, F. Weickert, J. B. Betts, H.-J. Kim, K.-S. Kim, and J. Kim, Nat. Mater. 16, 1096 (2017), 10.1038/nmat4965]. This paper shows that the topological phases in Bi-Sb alloys depend on both elemental composition and their specific arrangement.

Cast bulk metallic glass alloys: prospects as wear materials

Energy Technology Data Exchange (ETDEWEB)

Hawk, Jeffrey A.; Dogan, Omer N.; Shiflet, Gary J. (Dept. of Materials Science and Engineering, University of Virginia, Charlottesville, VA)

2005-01-01

Bulk metallic glasses are single phase materials with unusual physical and mechanical properties. One intriguing area of possible use is as a wear material. Usually, pure metals and single phase dilute alloys do not perform well in tribological conditions. When the metal or alloy is lightweight, it is usually soft leading to galling in sliding situations. For the harder metals and alloys, their density is usually high, so there is an energy penalty when using these materials in wear situations. However, bulk metallic glasses at the same density are usually harder than corresponding metals and dilute single phase alloys, and so could offer better wear resistance. This work will discuss preliminary wear results for metallic glasses with densities in the range of 4.5 to 7.9 g/cc. The wear behavior of these materials will be compared to similar metals and alloys.

The investigation of topological phase of Gd1-xYxAuPb (x = 0, 0.25, 0.5, 0.75, 1) alloys under hydrostatic pressure

Science.gov (United States)

Saeidi, Parviz; Nourbakhsh, Zahra

2018-04-01

Topological phase of Gd1-xYxAuPb (x = 0, 0.25, 0.5, 0.75, 1) alloys have been studied utilizing density function theory by WIEN2k code. The generalized gradient approximation (GGA), generalized gradient approximation plus Hubbard parameter (GGA + U), Modified Becke and Johnson (MBJ) and GGA Engel-vosko in the presence of spin orbit coupling have been used to investigate the topological band structure of Gd1-xYxAuPb alloys at zero pressure. The topological phase and band order of these alloys within GGA and GGA + U approaches under hydrostatic pressure are also investigated. We find that under hydrostatic pressure in some percentages of Gd1-xYxAuPb (x = 0, 0.25, 0.5, 0.75, 1) alloys in both GGA and GGA + U approaches, the trivial topological phase is converted into nontrivial topological phase. In addition, the band inversion strength versus lattice constant of these alloys is studied. Moreover, the schematic plan is represented in order to show the trivial and nontrivial topological phase of Gd1-xYxAuPb (x = 0, 0.25, 0.5, 0.75, 1) alloys in both GGA and GGA + U approaches.

Phase diagrams of two dimensional Pd{sub x}Ag{sub 1-x}/Pd(111) and Pt{sub x}Ag{sub 1-x}/Pt(111) surface alloys

Energy Technology Data Exchange (ETDEWEB)

Engstfeld, Albert K.; Roetter, Ralf T.; Bergbreiter, Andreas; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University (Germany)

2011-07-01

The distribution of Ag and Pd or Pt in Ag{sub x}Pd{sub 1-x}/Pd(111) and Ag{sub x}Pt{sub 1-x}/Pt(111) surface alloys was studied by high resolution UHV-STM. The alloys were prepared by evaporating Ag on the respective substrate and subsequent annealing to 800 K. From quantitative 2D atom distributions we can show that AgPt tends towards two dimensional clustering and AgPd towards a 'quasi' random distribution, with small deviations for low and high coverages. From effective pair interactions, we are able to calculate the surface mixing energy and determine 2D phase diagrams. Furthermore we will elucidate whether the size mismatch or the differences in the intermetallic bonding are the dominant factor for the respective distribution in the surface alloy.

Elemental moment variation of bcc Fe{sub x}Mn{sub 1−x} on MgO(001)

Energy Technology Data Exchange (ETDEWEB)

Bhatkar, H.; Snow, R.J. [Department of Physics, Montana State University, Bozeman, MT 59717 (United States); Arenholz, E. [Advanced Light Source, Lawrence Berkeley National Laboratories, Berkeley, CA 94720 (United States); Idzerda, Y.U., E-mail: idzerda@montana.edu [Department of Physics, Montana State University, Bozeman, MT 59717 (United States)

2017-02-01

We report the growth, structural characterization, and electronic structure evolution of epitaxially grown bcc Fe{sub x}Mn{sub 1−x} on MgO(001). It is observed that the 20 nm thick Fe{sub x}Mn{sub 1−x} alloy films remained bcc from 0.65≤x≤1, much beyond the bulk stability range of 0.88≤x≤1. X-ray absorption spectroscopy and X-ray magnetic circular dichroism show that both the Fe and Mn L{sub 3} binding energies slightly increase with Mn incorporation and that the elemental moment of Fe in the 20 nm crystalline bcc alloy film remain nearly constant, then shows a dramatic collapse near x~0.84. The Mn MCD intensity is found to be small at all compositions that exhibit ferromagnetism - Highlights: • Bcc Fe{sub x}Mn{sub 1−x} films were stabilized beyond bulk range by epitaxial growth on MgO. • XMCD shows negligible moment in Mn regardless of composition. • Fe moment stays constant until 84% Mn concentration. • Magnetic moment suddenly collapses before any structural change seen in RHEED.

Valence band structure of InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy semiconductors calculated using valence band anticrossing model.

Science.gov (United States)

Samajdar, D P; Dhar, S

2014-01-01

The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E - energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

Thermal stability of Ni-Pt-Ta alloy silicides on epi-Si{sub 1-x}C{sub x}

Energy Technology Data Exchange (ETDEWEB)

Yoo, Jung-Ho; Chang, Hyun-Jin [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Min, Byoung-Gi [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Jusung Engineering Co., Ltd., 49, Neungpyeong-ri, Opo-eup, Gwangju-Si, Kyunggi-do 464-892 (Korea, Republic of); Ko, Dae-Hong [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)], E-mail: dhko@yonsei.ac.kr; Cho, Mann-Ho [Institute of Physics and Applied Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Sohn, Hyunchul [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Tae-Wan [Jusung Engineering Co., Ltd., 49, Neungpyeong-ri, Opo-eup, Gwangju-Si, Kyunggi-do 464-892 (Korea, Republic of)

2008-12-05

We investigated the silicide formation in Ni/epi-Si{sub 1-x}C{sub x} systems. Ni-Pt and Ni-Pt-Ta films were deposited on epi-Si{sub 1-x}C{sub x}/Si substrates by DC magnetron sputtering and processed at various temperatures. The sheet resistance of the silicide from the Ni alloy/epi-Si{sub 1-x}C{sub x} systems was maintained at low values compared to that from Ni/Si systems. By TEM and EDS analyses, we confirmed the presence of a Pt alloy layer at the top of the Ni-silicide layer. The stability of the silicide layer in the Ni alloy/epi-Si{sub 1-x}C{sub x} system is explained by not only the Pt rich layer on the top of the Ni-silicide layer, but also by the presence of a small amount of Pt in the Ni-silicide layer or at the grain boundaries. And both the thermal stability and the morphology of silicide were greatly improved by the addition of Ta in Ni-Pt films.

Magnetic behavior of the alloys (Ce{sub 1-x}Y{sub x}){sub 2}PdSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Mallik, R [Tata Inst. of Fundamental Res., Colaba, Mumbai (India); Sampathkumaran, E V [Tata Inst. of Fundamental Res., Colaba, Mumbai (India)

1996-11-01

The results of X-ray diffraction (Cu K{sub {alpha}}), electrical resistivity ({rho}), heat capacity (C) and magnetic susceptibility ({chi}) measurements are reported for a new pseudoternary solid solution, (Ce{sub 1-x}Y{sub x}){sub 2}PdSi{sub 3} (x=0.0, 0.2, 0.5, 0.8, 1.0). The X-ray diffraction patterns indicate that single phase alloys can be formed in a derived version of the AlB{sub 2}-type hexagonal structure for x{>=}0.2, while for x=0.0, apparently there is an additional weak phase. In the case of the alloy Ce{sub 2}PdSi{sub 3}, the majority of Ce ions do not exhibit magnetic ordering down to 1.4 K, though magnetic ordering at 7 K from one of the two crystallographically inequivalent sites cannot be ruled out. For other compositions, no magnetic ordering is observed above 1.4 K. The Kondo effect is operative in all these alloys, with the strength of the Kondo effect increasing with the compression of the lattice by the gradual replacement of Ce by Y. The C/T exhibits a low temperature enhancement in all Ce containing alloys. (orig.).

Development of biodegradable Zn-1X binary alloys with nutrient alloying elements Mg, Ca and Sr

Science.gov (United States)

Li, H. F.; Xie, X. H.; Zheng, Y. F.; Cong, Y.; Zhou, F. Y.; Qiu, K. J.; Wang, X.; Chen, S. H.; Huang, L.; Tian, L.; Qin, L.

2015-01-01

Biodegradable metals have attracted considerable attentions in recent years. Besides the early launched biodegradable Mg and Fe metals, Zn, an essential element with osteogenic potential of human body, is regarded and studied as a new kind of potential biodegradable metal quite recently. Unfortunately, pure Zn is soft, brittle and has low mechanical strength in the practice, which needs further improvement in order to meet the clinical requirements. On the other hand, the widely used industrial Zn-based alloys usually contain biotoxic elements (for instance, ZA series contain toxic Al elements up to 40 wt.%), which subsequently bring up biosafety concerns. In the present work, novel Zn-1X binary alloys, with the addition of nutrition elements Mg, Ca and Sr were designed (cast, rolled and extruded Zn-1Mg, Zn-1Ca and Zn-1Sr). Their microstructure and mechanical property, degradation and in vitro and in vivo biocompatibility were studied systematically. The results demonstrated that the Zn-1X (Mg, Ca and Sr) alloys have profoundly modified the mechanical properties and biocompatibility of pure Zn. Zn-1X (Mg, Ca and Sr) alloys showed great potential for use in a new generation of biodegradable implants, opening up a new avenue in the area of biodegradable metals. PMID:26023878

Development of biodegradable Zn-1X binary alloys with nutrient alloying elements Mg, Ca and Sr.

Science.gov (United States)

Li, H F; Xie, X H; Zheng, Y F; Cong, Y; Zhou, F Y; Qiu, K J; Wang, X; Chen, S H; Huang, L; Tian, L; Qin, L

2015-05-29

Biodegradable metals have attracted considerable attentions in recent years. Besides the early launched biodegradable Mg and Fe metals, Zn, an essential element with osteogenic potential of human body, is regarded and studied as a new kind of potential biodegradable metal quite recently. Unfortunately, pure Zn is soft, brittle and has low mechanical strength in the practice, which needs further improvement in order to meet the clinical requirements. On the other hand, the widely used industrial Zn-based alloys usually contain biotoxic elements (for instance, ZA series contain toxic Al elements up to 40 wt.%), which subsequently bring up biosafety concerns. In the present work, novel Zn-1X binary alloys, with the addition of nutrition elements Mg, Ca and Sr were designed (cast, rolled and extruded Zn-1Mg, Zn-1Ca and Zn-1Sr). Their microstructure and mechanical property, degradation and in vitro and in vivo biocompatibility were studied systematically. The results demonstrated that the Zn-1X (Mg, Ca and Sr) alloys have profoundly modified the mechanical properties and biocompatibility of pure Zn. Zn-1X (Mg, Ca and Sr) alloys showed great potential for use in a new generation of biodegradable implants, opening up a new avenue in the area of biodegradable metals.

Palladium diffusion into bulk copper via the (100) surface

Energy Technology Data Exchange (ETDEWEB)

Bussmann, E; Kellogg, G L [Sandia National Laboratories, Albuquerque, NM 87185 (United States); Sun, J; Pohl, K [Department of Physics and Materials Science Program, University of New Hampshire, Durham, NH 03824 (United States)

2009-08-05

Using low-energy electron microscopy, we measure the diffusion of Pd into bulk Cu at the Cu(100) surface. Interdiffusion is tracked by measuring the dissolution of the Cu(100)-c(2 x 2)-Pd surface alloy during annealing (T>240 deg. C). The activation barrier for Pd diffusion from the surface alloy into the bulk is determined to be (1.8 +- 0.6) eV. During annealing, we observe the growth of a new layer of Cu near step edges. Under this new Cu layer, dilute Pd remaining near the surface develops a layered structure similar to the Cu{sub 3}Pd L 1{sub 2} bulk alloy phase.

Preparation and Properties of Mg-Cu-Y-Al bulk Amorphous Alloys

DEFF Research Database (Denmark)

Pryds, Nini; Eldrup, Morten Mostgaard; Ohnuma, M.

2000-01-01

Bulk amorphous (Mg(1-gamma)Al(gamma))(60)CU(30)Y(10) alloys were prepared using a relatively simple technique of rapid cooling of the melt in a copper wedge mould. The temperature vs, time was recorded during the cooling and solidification process of the melt and compared with a spacial and tempo......Bulk amorphous (Mg(1-gamma)Al(gamma))(60)CU(30)Y(10) alloys were prepared using a relatively simple technique of rapid cooling of the melt in a copper wedge mould. The temperature vs, time was recorded during the cooling and solidification process of the melt and compared with a spacial...... temperatures in specimens containing a few percent Al. The alloy with no Al crystallises apparently without the formation of nanoparticles. The critical cooling rate for the formation of an amorphous Mg(60)CU(30)Y(10) specimen was determined experimentally by a combination of DSC data and temperature vs, time...

Moessbauer and X-ray Study of Fe{sub 1-x}Al{sub x}, 0.2{<=}x{<=}0.5, Samples Produced by Mechanical Alloying

Energy Technology Data Exchange (ETDEWEB)

Oyola Lozano, D., E-mail: doyola@ut.edu.co; MartInez, Y. Rojas; Bustos, H.; Perez Alcazar, G. A. [Universidad del Tolima, Departamento de Fisica (Colombia)

2004-12-15

In this work we report the magnetic and structural properties obtained by Moessbauer spectroscopy and X-ray diffraction, of the Fe{sub 1-x}Al{sub x}, 0.2{<=}x{<=}0.5, alloys produced by mechanical alloying. Alloys with x=0.2, 0.3, 0.4 and 0.5, were for milled 12, 24, 36, and 48 hours. All the obtained alloys are in the bcc phase. The obtained Moessbauer spectra are characteristic of disordered ferromagnetic system. The lattice parameter remains nearly constant ({approx}2.91 A) for all the milling times and compositions. The mean grain sizes in the (110) and (211) direction are nearly constants with the milling time but vary from 15.5 to 11 nm and from 10.5 to 8.5 nm when Al content grow between x=0.2 to x=0.4, respectively. The difference between the mean grain sizes in these two directions shows that the grains are of prolate spheroid form.

High pressure stability analysis and chemical bonding of Ti{sub 1-x}Zr{sub x}N alloy: A first principle study

Energy Technology Data Exchange (ETDEWEB)

Chauhan, Mamta; Gupta, Dinesh C., E-mail: sosfizix@gmail.com, E-mail: mamta-physics@yahoo.co.in [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior – 474 011 (India)

2016-05-23

First-principles pseudo-potential calculations have been performed to analyze the stability of Ti{sub 1-x}Zr{sub x}N alloy under high pressures. The first order phase transition from B1 to B2 phase has been observed in this alloy at high pressure. The variation of lattice parameter with the change in concentration of Zr atom in Ti{sub 1-x}Zr{sub x}N is also reported in both the phases. The calculations for density of states have been performed to understand the alloying effects on chemical bonding of Ti-Zr-N alloy.

Influences of hydrostatic pressure during casting and Pd content on as-cast phase in Zr-Al-Ni-Cu-Pd bulk alloys

International Nuclear Information System (INIS)

Kato, Hidemi; Inoue, Akihisa; Saida, Junji

2004-01-01

The influences of sample diameter (D), Pd content (x), and hydrostatic pressure (P) in a chamber during casting on the structure of as cast Zr 65 Al 7.5 Ni 10 Cu 17.5-x Pd x (x=10,17.5 at.%) bulk alloys were investigated. Zr 65 Al 7.5 Ni 10 Cu 7.5 Pd 10 and Zr 65 Al 7.5 Ni 10 Pd 17.5 alloys (D=3 mm) cast in a vacuum chamber (P∼4.0x10 -3 Pa) were mainly of the tetragonal-Zr 2 Ni equilibrium phase and nanosize icosahedral primary phase, respectively, while the same alloys cast in inert argon gas at atmospheric pressure (P∼0.1 MPa) were of the single glassy phase. Due to the higher cooling rate obtained by decreasing the sample diameter (D=2 mm) even in the vacuum chamber, the Zr 65 Al 7.5 Ni 10 Pd 17.5 alloy was still of the icosahedral phase, while the Zr 65 Al 7.5 Ni 10 Cu 7.5 Pd 10 alloy froze into a single glassy phase. These results indicate that the temperature- and time- transformation curves for the icosahedral and subsequent equilibrium phase formations in the alloy system shifts to a shorter time side with decreasing P, and the pressure sensitivity of the icosahedral phase formation increases with x

Electrical resistivity at high temperatures of Heusler alloys of the Cu2MnAl sub(1-x) Sn sub (x)

International Nuclear Information System (INIS)

Grandi, T.A.

1978-01-01

The structural fase L2 1 of the Heusler alloys Cu 2 MnAl sub (1-x) Sn sub(x), with x varying between 0 and 1, was studied. X-ray diffraction, metallography and diferential termoanalysis techniques were employed. For the alloys with x = 0; 0,05; 0,10 and 0,15 the electrical resistivity measurements were performed in the temperature range 300 K [pt

Structure of the c(2x2) Mn/Ni(001) surface alloy by quantitative photoelectron diffraction

Energy Technology Data Exchange (ETDEWEB)

Banerjee, S.; Denlinger, J.; Chen, X. [Univ. of Wisconsin, Milwaukee, WI (United States)] [and others

1997-04-01

Surface alloys are two-dimensional metallic systems that can have structures that are unique to the surface, and have no counterpart in the bulk binary phase diagram. A very unusual structure was reported for the Mn-Ni system, based on a quantitative LEED structure determination, which showed that the Mn atoms were displaced out of the surface by a substantial amount. This displacement was attributed to a large magnetic moment on the Mn atoms. The structure of the Mn-Ni surface alloy was proposed to be based on a bulk termination model. Magnetic measurements on the Mn-Ni surface alloys, however, showed conclusively that the magnetic structure of these surface alloys is completely different from the bulk alloy analogs. For example, bulk MnNi is an antiferromagnet, whereas the surface alloy is ferromagnetic. This suggests that the proposed structure based on bulk termination, may not be correct. X-ray Photoelectron Diffraction (XPD) techniques were used to investigate this structure, using both a comparison to multiple scattering calculations and photoelectron holography. In this article the authors present some of the results from the quantitative analysis of individual diffraction patterns by comparison to theory.

Tuning the energy band gap of ternary alloyed Cd1-xPbxS quantum dots for photovoltaic applications

Science.gov (United States)

Badawi, Ali

2016-02-01

Tuning the energy band gap of ternary alloyed Cd1-xPbxS (x: 0, 0.33, 0.5, 0.67 and 1) quantum dots (QDs) for photovoltaic applications is studied. Alloyed Cd1-xPbxS QDs were adsorbed onto TiO2 nanoparticles (NPs) using ssuccessive ionic layer adsorption and reaction (SILAR) methode. EDX measurements ensure the success adsorption of alloyed Cd1-xPbxS QDs onto the TiO2 electrode. At 100 mW/cm2 (AM 1.5) sun illumination, the photovoltaic performance of alloyed Cd1-xPbxS QDs sensitized solar cells (QDSSCs) was measured. The maximum values of Jsc (1.92 mA/cm2) and η (0.36%) for the alloyed Cd1-xPbxS QDSSCs were obtained when the molar ratio of Cd/Pb is 0.33/0.67. the open circuit voltage (Voc) is equal 0.61 ± 0.01 V for all alloyed Cd1-xPbxS QDSSCs. The electron back recombination rates decrease considerably for alloyed Cd1-xPbxS QDSSCs as x value increases, peaking at 0.67. The electron lifetime (τ) for Cd0.33Pb0.67S QDSSCs is one order of magnitude larger than that of the other alloyed Cd1-xPbxS QDSSCs with different x value. Under ON-OFF cycles to solar illumination, the open circuit voltage decay measurements show the high sensitivity and reproducibility of alloyed Cd1-xPbxS QDSSCs.

Glass forming ability and magnetic properties of Co{sub (40.2−x)}Fe{sub (20.1+x)}Ni{sub 6.7}B{sub 22.7}Si{sub 5.3}Nb{sub 5} (x=0–10) bulk metallic glasses produced by suction casting

Energy Technology Data Exchange (ETDEWEB)

Sarlar, Kagan [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey); Physics Department, Kamil Ozdag Faculty of Sciences, Karamanoglu Mehmetbey University, YunusEmre Campus, 70100 Karaman (Turkey); Kucuk, Ilker, E-mail: ikucuk@uludag.edu.tr [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey)

2015-01-15

The effect of Fe concentration on the glass forming ability (GFA) and magnetic properties in Co{sub (40.2−x)}Fe{sub (20.1+x)}Ni{sub 6.7}B{sub 22.7}Si{sub 5.3}Nb{sub 5} (x=0–10) bulk metallic glasses were investigated. By suction casting method, the bulk metallic glasses with diameters up to 2 mm were produced. We try to find out which Fe concentration makes an influence on Co based system's magnetic properties and glass forming ability. The curves of thermal analysis, obtained using differential scanning calorimetry (DSC), show that the Co{sub (40.2−x)}Fe{sub (20.1+x)}Ni{sub 6.7}B{sub 22.7}Si{sub 5.3}Nb{sub 5} (x=0–10) have a supercooled liquid region (∆T{sub x}) of about 44 K. The saturation magnetizations (J{sub s}) for as-cast BMG alloys were in the range of 0.62 T−0.81 T. - Highlights: • The effect of Fe concentration on the glass forming ability. • The substitution of an appropriate amount of Fe can enhance the GFA. • The substitution of Fe for Co also improves soft magnetic properties of the BMGs. • The high of J{sub s} 0.62−0.81 T with a low H{sub c} of 2−289 A/m of the alloys.

Amorphous magnetism in Mnx Sn1-x alloys

International Nuclear Information System (INIS)

Drago, V.; Saitovitch, E.M.B.; Abd-Elmeguid, M.M.

1988-01-01

Systematic low temperature in situ 119 Sn Moessbauer effect (ME) studies in vapor quenched amorphous Mn x Sn 1-x (0.09≤ x ≤0,95) alloys between 150 and 4.2 K, are presented. Its is shown that the magnetic behavior of the system is correctly displayed by the transferred magnetic hyperfine (hf) interactions, at the 119 Sn site. A complete magnetic phase diagram is proposed, and the effect of an external magnetic field (up to about 3T) on the spin correlations in the spin-glass state is also discussed. (author) [pt

First-principle study of the structural, electronic, and optical properties of cubic InN{sub x}P{sub 1-x} ternary alloys under hydrostatic pressure

Energy Technology Data Exchange (ETDEWEB)

Hattabi, I. [Ibn Khaldoun Univ. de Tiaret (Algeria). Lab. Synthese et Catalyse; Abdiche, A.; Riane, R. [Sidi-bel-Abbes Univ. (Algeria). Applied Materials Lab.; Moussa, R. [Sidi-bel-Abbes Univ. (Algeria). Physic Dept.; Hadji, K. [Ibn Khaldoun Univ. de Tiaret (Algeria). Science and Technology Dept.; Soyalp, F. [Yuezuencue Yil Univ., Van (Turkey). Dept. of Physics; Varshney, Dinesh [Devi Ahilya Univ., Indore (India). Materials Science Lab.; Syrotyuk, S.V. [National Univ. ' Lviv Polytechnic' , Lviv (Ukraine). Semiconductor Electronics Dept.; Khenata, R. [Mascara Univ. (Algeria). Lab. de Physique Quantique et de Modelisation Mathematique (LPQ3M)

2016-07-01

In this article, we present results of the first-principle study of the structural, electronic, and optical properties of the InN, InP binary compounds and their related ternary alloy InN{sub x}P{sub 1-x} in the zinc-blend (ZB) phase within a nonrelativistic full potential linearised augmented plan wave (FP-LAPW) method using Wien2k code based on the density functional theory (DFT). Different approximations of exchange-correlation energy were used for the calculation of the lattice constant, bulk modulus, and first-order pressure derivative of the bulk modulus. Whereas the lattice constant decreases with increasing nitride composition x. Our results present a good agreement with theoretical and experimental data. The electronic band structures calculated using Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach present a direct band gap semiconductor character for InN{sub x}P{sub 1-x} compounds at different x values. The electronic properties were also calculated under hydrostatic pressure for (P=0.00, 5.00, 10.0, 15.0, 20.0, 25.0 GPa) where it is found that the InP compound change from direct to indirect band gap at the pressure P≥7.80 GPa. Furthermore, the pressure effect on the dielectric function and the refractive index was carried out. Results obtained in our calculations present a good agreement with available theoretical reports and experimental data.

Synthesis of bulk nanocrystalline Pb-Sn-Te alloy under high pressure

International Nuclear Information System (INIS)

Zhu, P W; Chen, L X; Jia, X; Ma, H A; Ren, G Z; Guo, W L; Liu, H J; Zou, G T

2002-01-01

Pb-Sn-Te bulk nanocrystalline (NC) materials are prepared successfully by quenching melts under high pressure. The mean particle size is about 100 nm and the crystal structure is NaCl type. The mechanism of formation of the bulk NC alloy is explained: there is an increasing of the nucleation rate and a decrease in the growth rate of nuclei with increase of pressure during the solidification processes. The thermoelectric properties of Pb-Sn-Te bulk NC alloy are enhanced. This method is promising for producing thermoelectric materials with improved high-energy conversion efficiency

Ab initio investigation of the structural and electronic properties of the MgFBrxCl1-x quaternary alloy

Science.gov (United States)

Mokhtari, Ali; Alidoosti, Mohammad

2014-11-01

In the present work, we have performed first principles calculations to study the structural and electronic properties of the MgFBrxCl1-x quaternary alloys using the pseudo-potential plane wave approach within the framework of density functional theory. By using the optimized initial parameters, we have obtained the physical quantities such as equilibrium lattice constants a and c, cohesive energy and band gap and then fitted the results by a quadratic expression for all x compositions. The results of bulk modulus exhibit nearly linear concentration dependence (LCD) but other quantities show nonlinear dependence. Finally, we have calculated the total and angular momentum decomposed (partial) density of states and determined the contributions of different orbitals of each atoms.

Free volume and elastic properties changes in Cu-Zr-Ti-Pd bulk glassy alloy on heating

International Nuclear Information System (INIS)

Louzguine-Luzgin, Dmitri V.; Yavari, Alain Reza; Fukuhara, Mikio; Ota, Katsumi; Xie, Guoqiang; Vaughan, Gavin; Inoue, Akihisa

2007-01-01

The variation of free volume and elastic properties of the Cu 55 Zr 30 Ti 10 Pd 5 glassy alloy on heating was studied. The structure changes on heating were studied by synchrotron X-ray diffraction, differential scanning and isothermal calorimetries. The studied glassy alloy shows a rather high Poisson's ratio exceeding 0.42 which is maintained after the structure relaxation and primary devitrification. Young's and Shear modules decrease upon primary devitrification while Bulk modulus exhibits a maximum after structural relaxation

Ab initio studies of Co{sub 2}FeAl{sub 1−x}Si{sub x} Heusler alloys

Energy Technology Data Exchange (ETDEWEB)

Szwacki, N. Gonzalez, E-mail: gonz@fuw.edu.pl; Majewski, Jacek A., E-mail: jam@fuw.edu.pl

2016-07-01

We present results of extensive theoretical studies of Co{sub 2}FeAl{sub 1−x}Si{sub x} Heusler alloys, which have been performed in the framework of density functional theory employing the all-electron full-potential linearized augmented plane-wave scheme. It is shown that the Si-rich alloys are more resistive to structural disorder and as a consequence Si stabilizes the L2{sub 1} structure. Si alloying changes position of the Fermi level, pushing it into the gap of the minority spin-band. It is also shown that the hyperfine field on Co nuclei increases with the Si concentration, and this increase originates mostly from the changes in the electronic density of the valence electrons. - Highlights: • GGA+U calculations: μ and E{sub g} dependence on the value of U for Co{sub 2}FeAl and Co{sub 2}FeSi. • Behavior of magnetic hyperfine fields on the Co site of Co{sub 2}FeAl{sub 1−x}Si{sub x} versus x. • DFT proof of suppression of formation of antisites defects with x in Co{sub 2}FeAl{sub 1−x}Si{sub x}.

First-principles calculation of the structural and elastic properties of ternary metal nitrides TaxMo1-xN and TaxW1-xN

Science.gov (United States)

Bouamama, Kh.; Djemia, P.; Benhamida, M.

2015-09-01

First-principles pseudo-potentials calculations of the mixing enthalpy, of the lattice constants a0 and of the single-crystal elastic constants cij for ternary metal nitrides TaxMe1-xN (Me=Mo or W) alloys considering the cubic B1-rocksalt structure is carried out. For disordered ternary alloys, we employ the virtual crystal approximation VCA in which the alloy pseudopotentials are constructed within a first-principles VCA scheme. The supercell method SC is also used for ordered structures in order to evaluate clustering effects. We find that the mixing enthalpy still remains negative for TaxMe1-xN alloys in the whole composition range which implies these cubic TaxMo1-xN and TaxW1-xN ordered solid solutions are stable. We investigate the effect of Mo and W alloying on the trend of the mechanical properties of TaN. The effective shear elastic constant c44, the Cauchy pressure (c12-c44), and the shear to bulk modulus G/B ratio are used to discuss, respectively, the mechanical stability of the ternary structure and the brittle/ductile behavior in reference to TaN, MeN alloys. We determine the onset transition from the unstable structure to the stable one B1-rocksalt from the elastic stability criteria when alloying MeN with Ta. In a second stage, in the frame of anisotropic elasticity, we estimate by one homogenization method the averaged constants of the polycrystalline TaxMe1-xN alloys considering the special case of an isotropic medium with no crystallographic texture.

Electrochemical Properties of Hydrogen-Storage Alloys ZrMn{sub 2}Ni{sub x} and ZrMnNi{sub 1+x} for Ni-MH Secondary Battery

Energy Technology Data Exchange (ETDEWEB)

Park, Hye Ryoung [Faculty of Applied Chemistry, Chonnam National University, Kwangju (Korea); Kwon, Ik Hyun [Automobile High-Technology Research Institute, Division of Advanced Materials Engineering, Chonbuk National University, Chonju (Korea)

2001-04-01

In order to improve the performance of AB{sub 2}-type hydrogen-storage alloys for Ni-MH secondary battery, AB{sub 2}-type alloys, ZrMn{sub 2}Ni{sub x}(x=0.0, 0.3, 0.6, 0.9 and 1.2) and ZrMnNi{sub 1+x}(x=0.0, 0.1, 0.2, 0.3 and 0.4) were prepared as the Zr-Mn-Ni three component alloys. The hydrogen-storage and the electrochemical properties were investigated. The C14 Laves phase formed in all alloys of ZrMn{sub 2}Ni{sub x}(x=0.0 {approx} 1.2). The equilibrium plateau pressure of the alloy, ZrMn{sub 2}Ni{sub 0.6}-H{sub 2} system, was about 0.5 atm at 30 degree C. Among these alloys, ZrMn{sub 2}Ni{sub 0.6} was the easiest to activate, and it had the largest discharge capacity as well as the best cycling performance. The C14 Laves phase also formed in all alloys of ZrMnNi{sub 1+x}(x=0.0 {approx} 0.4). The equilibrium plateau pressure of the alloy, ZrMnNi{sub 1.0}-H{sub 2} system, was about 0.45 atm at 30 degree C. Among these alloys, ZrMnNi{sub 1.0} was the easiest to activate, taking only 3 charge-discharge cycles, and it had the largest discharge capacity of 42 mAh/g. Among these alloys, ZrMn{sub 2}Ni{sub x}(x=0.0 {approx} 1.2) and ZrMnNi{sub 1+x}(x=0.0 {approx} 0.4), ZrMnNi{sub 1.0} had the largest discharge capacity (maximum value of 42 mAh/g), and it showed the fastest activation and good cycling performance. 23 refs., 4 figs., 2 tabs.

Electronic structure of Mo1-x Re x alloys studied through resonant photoemission spectroscopy

Science.gov (United States)

Sundar, Shyam; Banik, Soma; Sharath Chandra, L. S.; Chattopadhyay, M. K.; Ganguli, Tapas; Lodha, G. S.; Pandey, Sudhir K.; Phase, D. M.; Roy, S. B.

2016-08-01

We studied the electronic structure of Mo-rich Mo1-x Re x alloys (0≤slant x≤slant 0.4 ) using valence band photoemission spectroscopy in the photon energy range 23-70 eV and density of states calculations. Comparison of the photoemission spectra with the density of states calculations suggests that, with respect to the Fermi level E F, the d states lie mostly in the binding energy range 0 to  -6 eV, whereas s states lie in the binding energy range  -4 to  -10 eV. We observed two resonances in the photoemission spectra of each sample, one at about 35 eV photon energy and the other at about 45 eV photon energy. Our analysis suggests that the resonance at 35 eV photon energy is related to the Mo 4p-5s transition and the resonance at 45 eV photon energy is related to the contribution from both the Mo 4p-4d transition (threshold: 42 eV) and the Re 5p-5d transition (threshold: 46 eV). In the constant initial state plot, the resonance at 35 eV incident photon energy for binding energy features in the range E F (BE  =  0) to  -5 eV becomes progressively less prominent with increasing Re concentration x and vanishes for x  >  0.2. The difference plots obtained by subtracting the valence band photoemission spectrum of Mo from that of Mo1-x Re x alloys, measured at 47 eV photon energy, reveal that the Re d-like states appear near E F when Re is alloyed with Mo. These results indicate that interband s-d interaction, which is weak in Mo, increases with increasing x and influences the nature of the superconductivity in alloys with higher x.

First-principles study of electronic properties of FeSe{sub 1-x}S{sub x} alloys

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sandeep, E-mail: sandeep@phy.iitb.ac.in; Singh, Prabhakar P. [Department of Physics, Indian Institute of Technology-Bombay, Mumbai-400076 (India)

2016-05-06

We have studied the electronic and superconducting properties of FeSe{sub 1-x}S{sub x} (x = 0.0, 0.04) alloys by first-principles calculations using the Korringa-Kohn-Rostoker Atomic Sphere Approximation within the coherent potential approximation (KKR-ASA-CPA). The electronic structure calculations show the ground states of S-doped FeSe to be nonmagnetic. We present the results of our unpolarized calculations for these alloys in terms of density of states (DOS), band structures, Fermi surfaces and the superconducting transition temperature of FeSe and FeSe{sub 0.96}S{sub 0.04} alloys. We find that the substitution of S at Se site into FeSe exhibit the subtle changes in the electronic structure with respect to the parent FeSe. We have also estimated bare Sommerfeld constant (γ{sub b}), electron-phonon coupling constant (λ) and the superconducting transition temperature (T{sub c}) for these alloys, which were found to be in good agreement with experiments.

Thermal stability of Ni-Pt-Ta alloy silicides on epi-Si1-xCx

International Nuclear Information System (INIS)

Yoo, Jung-Ho; Chang, Hyun-Jin; Min, Byoung-Gi; Ko, Dae-Hong; Cho, Mann-Ho; Sohn, Hyunchul; Lee, Tae-Wan

2008-01-01

We investigated the silicide formation in Ni/epi-Si 1-x C x systems. Ni-Pt and Ni-Pt-Ta films were deposited on epi-Si 1-x C x /Si substrates by DC magnetron sputtering and processed at various temperatures. The sheet resistance of the silicide from the Ni alloy/epi-Si 1-x C x systems was maintained at low values compared to that from Ni/Si systems. By TEM and EDS analyses, we confirmed the presence of a Pt alloy layer at the top of the Ni-silicide layer. The stability of the silicide layer in the Ni alloy/epi-Si 1-x C x system is explained by not only the Pt rich layer on the top of the Ni-silicide layer, but also by the presence of a small amount of Pt in the Ni-silicide layer or at the grain boundaries. And both the thermal stability and the morphology of silicide were greatly improved by the addition of Ta in Ni-Pt films

Structural and elastic properties of Ni2+xMn1-xGa alloys

International Nuclear Information System (INIS)

Ghosh, Subhradip; Vitos, Levente; Sanyal, Biplab

2011-01-01

The structural parameters and the energetics of the Ni 2+x Mn 1-x Ga alloys have been investigated by the first-principles Exact Muffin Tin Orbital-Coherent Potential Approximation (EMTO-CPA) for 0.10 m . The qualitative behavior of δE with variation of x has been found to be in agreement with the experimentally observed variation of T m with x. The elastic constants for the entire range of x have also been calculated and the determination of a relationship between δE and the elastic shear modulus has been attempted. It is seen that δE varies linearly with elastic shear modulus C', qualitatively similar to the relation between T m and C'. The energetics calculated with the EMTO method agrees quite well with the all-electron full-potential results ensuring the accuracy of the method. These results show that the EMTO-CPA method is one of the most reliable and accurate first-principles methods, in the context of off-stoichiometric alloys which undergo martensitic phase transformations.

Effect of boron addition to the hard magnetic bulk Nd60Fe30Al10 amorphous alloy

International Nuclear Information System (INIS)

Kong, H.Z.; Li, Y.; Ding, J.

2000-01-01

A detailed study of the effect of boron addition to crystallinity, magnetic properties and thermal properties was carried out for alloys Nd 60-x Fe 30 Al 10 B x with x=0, 1, 3 and 5 produced by copper mold chill casting and melt-spinning. The cast rods of alloys Nd 60-x Fe 30 Al 10 B x were largely amorphous. Remanence up to 0.154 T and coercivity up to 355 kA/m were observed, which were higher than those of the bulk amorphous Nd 60 Fe 30 Al 10 rod of the same diameter. A step in hysteresis loop was observed for the hard magnetic cast rod and ribbon melt-spun at a low speed of 5 m/s of the alloys with boron addition. Consistent increase in the amplitude of the step and magnetic field (H) at which the step was observed as the boron content increased. A single magnetic phase with low coercivity was observed for fully amorphous ribbon melt-spun at high speed of 30 m/s. Full crystallization due to heat treatment resulted in transition of hard magnetic amorphous phase of Nd 55 Fe 30 Al 10 B 5 cast rod to paramagnetic crystalline phases. TEM results of the as-cast rods illustrated the existence of numerous minute Nd-crystallites in amorphous matrix

Microemulsion synthesis and magnetic properties of FexNi(1-x) alloy nanoparticles

Science.gov (United States)

Beygi, H.; Babakhani, A.

2017-01-01

This paper investigates synthesis of FexNi(1-x) bimetallic nanoparticles by microemulsion method. Through studying the mechanism of nanoparticles formation, it is indicated that synthesis of nanoparticles took placed by simultaneous reduction of metal ions and so nanoparticles structure is homogeneous alloy. FexNi(1-x) nanoparticles with different sizes, morphologies and compositions were synthesized by changing the microemulsion parameters such as water/surfactant/oil ratio, presence of co-surfactant and NiCl2·6H2O to FeCl2·4H2O molar ratio. Synthesized nanoparticles were characterized by transmission electron microscopy, particle size analysis, X-ray diffraction, atomic absorption and thermogravimetric analyses. The results indicated that, presence of butanol as co-surfactant led to chain-like arrangement of nanoparticles. Also, finer nanoparticles were synthesized by decreasing the amount of oil and water and increasing the amount of CTAB. The results of vibrating sample magnetometer suggested that magnetic properties of FexNi(1-x) alloy nanoparticles were affected by composition, size and morphology of the particles. Spherical and chain-like FexNi(1-x) alloy nanoparticles were superparamagnetic and ferromagnetic, respectively. Furthermore, higher iron in the composition of nanoparticles increases the magnetic properties.

Variation of equation of state parameters in the Mg2(Si 1-xSnx) alloys

KAUST Repository

Pulikkotil, Jiji Thomas Joseph; Alshareef, Husam N.; Schwingenschlö gl, Udo

2010-01-01

Thermoelectric performance peaks up for intermediate Mg2(Si 1-x:Snx) alloys, but not for isomorphic and isoelectronic Mg2(Si1-xGex) alloys. A comparative study of the equation of state parameters is performed using density functional theory, Green

Crystallization Behavior of A Bulk Amorphous Mg62Cu26Y12 Alloy

Science.gov (United States)

Wu, Shyue-Sheng; Chin, Tsung-Shune; Su, Kuo-Chang

1994-07-01

The crystallization temperature, the associated activation energy and the crystallized structure of a bulk amorphous Mg62Cu26Y12 alloy with a diameter of 2.5 mm were studied. It possesses a one-step crystallization behavior. The crystallization reaction was found to be represented by: AM(MG62Cu26Y12)→Mg2Cu+MgY+CuY+Mg, ( Tx=188°C, Eac=134 kJ/mol) where AM represents the amorphous state, T x the crystallization temperature at an infinitesimal heating rate, and E ac the associated activation energy. The amount of crystalline phases were found to be Mg2Cu:MgY:CuY=76:17:7. The Mg phase is identifiable only by high resolution electron microscopy, not by X-ray diffraction. The crystallization leads to a sharp rise in electrical resistivity which is reversed to those of iron-based amorphous alloys.

Thermoelectric properties of p-type pseudo-binary (Ag0.365Sb0.558Te) x -(Bi0.5Sb1.5Te3)1-x (x=0-1.0) alloys prepared by spark plasma sintering

International Nuclear Information System (INIS)

Cui, J.L.; Xue, H.F.; Xiu, W.J.; Jiang, L.; Ying, P.Z.

2006-01-01

In this paper, pseudo-binary (Ag 0.365 Sb 0.558 Te) x -(Bi 0.5 Sb 1.5 Te 3 ) 1- x (x=0-1.0) alloys were prepared using spark plasma sintering technique, and the composition-dependent thermoelectric properties were evaluated. Electrical conductivities range from 7.9x10 4 to 15.6x10 4 Ω -1 m -1 at temperatures of 507 and 318 K, respectively, being about 3.0 and 8.5 times those of Bi 0.5 Sb 1.5 Te 3 alloy at the corresponding temperatures. The optimal dimensionless figure of merit (ZT) of the sample with molar fraction x=0.025 reaches 1.1 at 478 K, whereas that of the ternary Bi 0.5 Sb 1.5 Te 3 alloy is 0.58 near room temperature. The results also reveal that a direct introduction of Ag 0.365 Sb 0.558 Te in the Bi-Sb-Te system is much more effective to the property improvement than naturally precipitated Ag 0.365 Sb 0.558 Te in the Ag-doped Ag-Bi-Sb-Te system. - Graphical abstract: The temperature dependence of the dimensionless thermoelectric figure of merit ZT for different (Ag 0.365 Sb 0.558 Te) x -(Bi 0.5 Sb 1.5 Te 3 ) 1- x (x=0-1.0) alloys prepared by spark plasma sintering

Direct and indirect measurement of the magnetocaloric effect in bulk and nanostructured Ni-Mn-In Heusler alloy

Science.gov (United States)

Ghahremani, Mohammadreza; Aslani, Amir; Hosseinnia, Marjan; Bennett, Lawrence H.; Della Torre, Edward

2018-05-01

A systematic study of the magnetocaloric effect of a Ni51Mn33.4In15.6 Heusler alloy converted to nanoparticles via high energy ball-milling technique in the temperature range of 270 to 310 K has been performed. The properties of the particles were characterized by x-ray diffraction, electron microscopy, and magnetometer techniques. Isothermal magnetic field variation of magnetization exhibits field hysteresis in bulk Ni51Mn33.4In15.6 alloy across the martensitic transition which significantly lessened in the nanoparticles. The magnetocaloric effects of the bulk and nanoparticle samples were measured both with direct method, through our state of the art direct test bed apparatus with controllability over the applied fields and temperatures, as well as an indirect method through Maxwell and thermodynamic equations. In direct measurements, nanoparticle sample's critical temperature decreased by 6 K, but its magnetocaloric effect enhanced by 17% over the bulk counterpart. Additionally, when comparing the direct and indirect magnetocaloric curves, the direct method showed 14% less adiabatic temperature change in the bulk and 5% less adiabatic temperature change in the nanostructured sample.

Theoretical calculations of the surface tension of Ag(1-x)-Cu(x) liquid alloys

International Nuclear Information System (INIS)

Aqra, Fathi; Ayyad, Ahmed

2011-01-01

Highlights: → A thermodynamic model for calculating the surface tension, and its temperature and composition dependences, of liquid binary alloys is described. → The model does not require the prior knowledge of the surface concentration and Gibbs energy. → The surface tension of the liquid Ag-Cu binary alloys has been calculated as a function of temperature and concentration. → The calculated values agree well with existing experimental data. - Abstract: The surface tension of silver-copper binary liquid alloys is calculated, in the frame work of Eyring theory. The calculations were made for different compositions (mole fraction, x Cu = 0, 0.2, 0.4, 0.6, 0.8 and 1), in the temperature range 1100-1800 K. The surface tension decreases with temperature increase, at a fixed copper fraction x Cu , and increases with increasing copper content. The calculated results are appropriately compared with existing literature data.

Structural and electronic properties of Si{sub 1–x}Ge{sub x} alloy nanowires

Energy Technology Data Exchange (ETDEWEB)

Iori, Federico [Dipartimento di Scienze e Metodi dell' Ingegneria, Centro Interdipartimentale Intermech and En and tech, Università di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42122 Reggio Emilia (Italy); European Theoretical Spectroscopy Facility (ETSF) and Institut de Ciència de Materials de Barcelona (ICMAB–CSIC), Campus de Bellaterra, 08193 Bellaterra, Barcelona (Spain); Ossicini, Stefano [Dipartimento di Scienze e Metodi dell' Ingegneria, Centro Interdipartimentale Intermech and En and tech, Università di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42122 Reggio Emilia (Italy); “Centro S3”, CNR-Istituto di Nanoscienze, Via Campi 213/A, 41125 Modena (Italy); Rurali, Riccardo, E-mail: rrurali@icmab.es [Institut de Ciència de Materials de Barcelona (ICMAB–CSIC), Campus de Bellaterra, 08193 Bellaterra, Barcelona (Spain)

2014-10-21

We present first-principles density-functional calculations of Si{sub 1–x}Ge{sub x} alloy nanowires. We show that given the composition of the alloy, the structural properties of the nanowires can be predicted with great accuracy by means of Vegard's law, linearly interpolating the values of a pure Si and a pure Ge nanowire of the same diameter. The same holds, to some extent, also for electronic properties such as the band-gap. We also assess to what extend the band-gap varies as a function of disorder, i.e., how it changes for different random realization of a given concentration. These results make possible to tailor the desired properties of SiGe alloy nanowires starting directly from the data relative to the pristine wires.

Theoretical analysis of the electronic, optical and thermal properties of lead strontium telluride alloys Pb1-xSrxTe (x = 0.0-1.0)

Science.gov (United States)

Chouit, F.; Sifi, C.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.; Rai, D. P.; Bin Omran, S.

2018-02-01

We have simulated different physical properties of Pb1-xSrxTe semiconductors, using the Ab-initio full potential augmented plane wave (FP-LAPW) method. The two commonly used exchange potentials viz., PBE-GGA and WC-GGA are used along with the most recently developed modified Becke and Johnson (mBJ) potential to study the electronic and optical properties. In this study, we have observed an increase in band gap values as well as the lattice parameter with increasing the concentration of Sr atoms in Pb1-xSrxTe alloys while the bulk modulus and the refractive index have reverse effect. The microscopic origin of the band gap bowing is explained using the approach of Zunger and co-workers. At ambient conditions (p = 0, T = 0), the calculations indicate that Pb1-xSrxTe is a direct band gap semiconductor R-R with x = 0.125, 0.25, 0.375, 0.5, 0.625, 0.75 and 0.875. The refractive indices are also calculated using the FP-LAPW method and the models of Moss, Ravindra and the Herve-Vandame. The obtained results are in consistent with the previous available data. To study the thermal effects, the temperature effect on the lattice parameters, thermal expansions, heat capacities the quasi-harmonic Debye model is applied. The Debye temperature is determined from the non-equilibrium Gibbs function.

Growth and characterization of ZnO{sub 1−x}S{sub x} highly mismatched alloys over the entire composition

Energy Technology Data Exchange (ETDEWEB)

Jaquez, M.; Ting, M. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Mechanical Engineering, University of California, Berkeley, California 94720 (United States); Yu, K. M. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics and Materials Science, City University of Hong Kong, Kowloon (Hong Kong); Hettick, M.; Javey, A. [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, California 94720 (United States); Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Sánchez-Royo, J. F. [ICMUV, Instituto de Ciencia de Materiales, Universitat de València, P.O. Box 22085, 46071 Valencia (Spain); Wełna, M. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Experimental Physics, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wrocław (Poland); Dubon, O. D. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States); Walukiewicz, W., E-mail: w-walukiewicz@lbl.gov [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2015-12-07

Alloys from ZnO and ZnS have been synthesized by radio-frequency magnetron sputtering over the entire alloying range. The ZnO{sub 1−x}S{sub x} films are crystalline for all compositions. The optical absorption edge of these alloys decreases rapidly with small amount of added sulfur (x ∼ 0.02) and continues to red shift to a minimum of 2.6 eV at x = 0.45. At higher sulfur concentrations (x > 0.45), the absorption edge shows a continuous blue shift. The strong reduction in the band gap for O-rich alloys is the result of the upward shift of the valence-band edge with x as observed by x-ray photoelectron spectroscopy. As a result, the room temperature bandgap of ZnO{sub 1−x}S{sub x} alloys can be tuned from 3.7 eV to 2.6 eV. The observed large bowing in the composition dependence of the energy bandgap arises from the anticrossing interactions between (1) the valence-band of ZnO and the localized sulfur level at 0.30 eV above the ZnO valence-band maximum for O-rich alloys and (2) the conduction-band of ZnS and the localized oxygen level at 0.20 eV below the ZnS conduction band minimum for the S-rich alloys. The ability to tune the bandgap and knowledge of the location of the valence and conduction-band can be advantageous in applications, such as heterojunction solar cells, where band alignment is crucial.

Stability of Cd_1_–_xZn_xO_yS_1_–_y Quaternary Alloys Assessed with First-Principles Calculations

International Nuclear Information System (INIS)

Varley, Joel B.; He, Xiaoqing; Rockett, Angus; Lordi, Vincenzo

2017-01-01

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se_2 and Cu_2ZnSn(S,Se)_4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd_1_–_xZn_xO_yS_1_–_y) alloys within a regular solution model. Our results identify that full miscibility of most Cd_1_–_xZn_xO_yS_1_–_y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phases such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.

High pressure stability analysis and chemical bonding of Ti1-xZrxN alloy: A first principle study

International Nuclear Information System (INIS)

Chauhan, Mamta; Gupta, Dinesh C.

2016-01-01

First-principles pseudo-potential calculations have been performed to analyze the stability of Ti 1-x Zr x N alloy under high pressures. The first order phase transition from B1 to B2 phase has been observed in this alloy at high pressure. The variation of lattice parameter with the change in concentration of Zr atom in Ti 1-x Zr x N is also reported in both the phases. The calculations for density of states have been performed to understand the alloying effects on chemical bonding of Ti-Zr-N alloy.

Local electronic environment of protons in VHsub(x) alloys

International Nuclear Information System (INIS)

Kazama, Shigeo; Fukai, Yuh

1977-01-01

The Knight shift (Ksub(H)) and the spin-lattice relaxation time T 1 of protons have been measured in vanadium-hydrogen alloys (VHsub(x)) with hydrogen concentration x=0.042 -- 0.736, at temperatures between 100 0 and 200 0 C. The resolution of +-1 ppm in the shift was attained by using a high-resolution spectrometer, and the effect of demagnetizing field was isolated by using a single sheet of foil as a specimen. This allowed the simultaneous determination of Ksub(H) and the bulk magnetic susceptibility. Ksub(H) measured relative to bare protons was found to be negative and change little with hydrogen concentration. No temperature dependence of the shift was observed, even across the phase transition. These results are interpreted in terms of a contact interaction with the uniform spin-polarization in the interstitial region and some additional contributions from H-induced states. An evidence for the electron-electron interaction in VHsub(x) is derived from comparison of Ksub(H) and T 1 . (auth.)

Effect of heat treatment on the precipitation in Al-1 at.% Mg-x at.% Si (x = 0.6, 1.0 and 1.6) alloys

Energy Technology Data Exchange (ETDEWEB)

Gaber, A. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt); Afify, N. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)], E-mail: afify@aun.edu.eg; Mostafa, M.S.; Abbady, Gh. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)

2009-05-27

The fine-scale precipitates, that occurs during aging, the supersaturated Al-1.0 at.% Mg-x at.% Si (x = 0.6, 1.0 and 1.6) alloys have been investigated by differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and X-ray diffraction (XRD) techniques. The strength of the alloys increases as a high density of very fine {beta}'' coherent and {beta}' semicoherent precipitates nucleate. The precipitates compositions have been determined by analyzing the X-ray diffraction (XRD) charts, by using Scherrer equation. The obtained results showed that the {beta}'' and {beta}' precipitates size lies in the nanometer range (from {approx}5 nm to {approx}32 nm). In addition, increasing Si concentration has exhibited an increase in the density of the precipitates, which fortifies the physical properties.

Beta decomposition of (Hf/sub x/Zr/sub 1-x/)80Nb20 ternary alloys

International Nuclear Information System (INIS)

Jones, W.B.; Taggart, R.; Polonis, D.H.

1978-01-01

The processes of beta decomposition have been examined in ternary alloys of the form (Hf/sub x/Zr/sub 1-x/) 80 Nb 20 to determine the influence of Hf additions to a basic Zr 80 Nb 20 composition. In the chill cast condition, Hf additions have been found to decrease the temperature coefficient of electrical resistivity from a value of -0.0015%/K for the binary Zr 80 Nb 20 alloy to a value of -0.011%/K for a (Hf 50 Zr 50 ) 80 Nb 20 ternary alloy. This change is explained in terms of the bcc lattice instability typical of Ti, Zr, and Hf alloys. The Hf additions enhance the kinetics of omega-phase precipitation during aging at 648 K. The aging of a (Hf 05 Zr 95 ) 80 Nb 20 alloy for 12 h results in the precipitation of a high volume fraction of cuboidal shaped omega-phase particles. A phase separation which results in the formation of solute lean discs (β/sub l/) occurs together with the precipitation of the omega-phase. These discs formed both randomly within the matrix and heterogeneously along dislocations and at grain boundaries

Absence of intrinsic ferromagnetism in Zn{sub 1-x}Mn{sub x}O alloys

Energy Technology Data Exchange (ETDEWEB)

Zhang Huawei [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Shi Erwei [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Chen Zhizhan [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Liu Xuechao [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Xiao Bing [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)

2006-10-04

Zn{sub 1-x}Mn{sub x}O alloys, with different Mn concentrations, were prepared by the hydrothermal method. X-ray diffraction and electron paramagnetic resonance spectra demonstrate that Zn{sup 2+} ions are homogeneously substituted by Mn{sup 2+} ions without changing the ZnO wurtzite structure. The x = 0.02 and 0.04 samples are paramagnetic. When the Mn concentrations are increased to x = 0.08 and 0.10, the samples exhibit some ferromagnetism due to a secondary phase (Zn,Mn)Mn{sub 2}O{sub 4}. (letter to the editor)

The variation of the energy gap with composition in the quaternary alloy system ZnTe/sub 1-2x/S/sub x/Se/sub x/

International Nuclear Information System (INIS)

Litvinchuk, A.P.; Vitrikhovskii, N.I.

1983-01-01

Studies are presented of photoluminescence spectra of the quaternary ZnTe/sub 1-2x/S/sub x/Se/sub x/ alloy (x = 0.05, 0.10, and 0.20). The determination of the energy gap variation with composition at 85 K is given. The nonlinear variation of the energy gap E/sub g/ with composition for the quaternary ZnTe/sub 1-2x/S/sub x/Se/sub x/ alloy may be interpreted in the framework of the pseudopotential theory based on the nonlinear crystal field properties

Microstructure and properties of hot extruded Mg-3Zn-Y-xCu (x = 0, 1, 3, 5) alloys

Energy Technology Data Exchange (ETDEWEB)

Liu, Bao-sheng; Kuang, Ya-fei; Fang, Da-qing; Chai, Yue-sheng [Taiyuan Univ. of Science and Technology (China). College of Materials Science and Engineering; Taiyuan Univ. of Science and Technology (China). Engineering Research Center for Magnesium Alloys of Shanxi Province; Zhang, Yue-zhong [Taiyuan Univ. of Science and Technology (China). Engineering Research Center for Magnesium Alloys of Shanxi Province; Taiyuan Univ. of Science and Technology (China). College of Chemical and Biological Engineering

2017-04-15

In petroleum drilling engineering, materials with high strength and rapid degradation are required for degradable fracturing ball applications. In this work, the microstructure, mechanical properties, and corrosion behavior of extruded Mg-3Zn-Y-xCu (x = 0, 1, 3, 5 weight percent) alloys are investigated using optical microscopy, scanning electronic microscopy equipped with energy dispersive X-ray spectroscopy, X-ray diffraction, transmission electronic microscopy, compression tests, electrochemical measurements, and hydrogen evolution tests, to explore their potential as excellent candidate alloys for degradable fracturing ball applications. It is found that the Mg-3Zn-Y alloy is mainly composed of α-Mg, Mg{sub 3}Zn{sub 3}Y{sub 2}, and Mg{sub 3}Zn{sub 6}Y phases. After Cu addition, a new MgZnCu phase is formed, while the Mg{sub 3}Zn{sub 3}Y{sub 2} phase disappears. The Mg-3Zn-Y-3Cu alloy shows the highest compressive strength (473 MPa) and yield strength (402 MPa), mainly attributed to the combined effect of the fine-grain and dispersed precipitation of Mg{sub 3}Zn{sub 6}Y and MgZnCu. The corrosion rate of Mg-3Zn-Y-3Cu reaches 0.41 mm day{sup -1} in 3.5 wt.% KCl solution. Consequently, Mg-3Zn-Y-3Cu alloy is a suitable degradable fracturing ball-seat material.

Theoretical study on the electronic and optical properties of bulk and surface (001) InxGa1-xAs

Science.gov (United States)

Liu, XueFei; Ding, Zhao; Luo, ZiJiang; Zhou, Xun; Wei, JieMin; Wang, Yi; Guo, Xiang; Lang, QiZhi

2018-05-01

The optical properties of surface and bulk InxGa1-xAs materials are compared systematically first time in this paper. The band structures, density of states and optical properties including dielectric function, reflectivity, absorption coefficient, loss function and refractive index of bulk and surface InxGa1-xAs materials are investigated by first-principles based on plane-wave pseudo-potentials method within the LDA approximation. The results agree well with the available theoretical and experimental studies and indicate that the electronic and optical properties of bulk and surface InxGa1-xAs materials are much different, and the results show that the considered optical properties of the both materials vary with increasing indium composition in an opposite way. The calculations show that the optical properties of surface In0.75Ga0.25As material are unexpected to be far from the other two indium compositions of surface InxGa1-xAs materials while the optical properties of bulk InxGa1-xAs materials vary with increasing indium composition in an expected regular way.

Order-disorder phase transitions in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te)

KAUST Repository

Gan, Liyong

2014-10-21

A combination of density functional theory, an empirical model, and Monte Carlo simulations is used to shed light on the evolution of the atomic distribution in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te) as a function of the W concentration and temperature. Both random and ordered phases are discovered and the origin of the phase transitions is clarified. While the empirical model predicts at x = 1/3 and 2/3 ordered alloys, Monte Carlo simulations suggest that they only exist at low temperature due to a small energetic preference of Mo-X-W over Mo-X-Mo and W-X-W interactions, explaining the experimental observation of random alloy Mo1−xWxS2. Negative formation energies point to a high miscibility. Tunability of the band edges and band gaps by alteration of the W concentration gives rise to a broad range of applications.

Order-disorder phase transitions in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te)

KAUST Repository

Gan, Liyong; Zhang, Qingyun; Zhao, Yu-Jun; Cheng, Yingchun; Schwingenschlö gl, Udo

2014-01-01

A combination of density functional theory, an empirical model, and Monte Carlo simulations is used to shed light on the evolution of the atomic distribution in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te) as a function of the W concentration and temperature. Both random and ordered phases are discovered and the origin of the phase transitions is clarified. While the empirical model predicts at x = 1/3 and 2/3 ordered alloys, Monte Carlo simulations suggest that they only exist at low temperature due to a small energetic preference of Mo-X-W over Mo-X-Mo and W-X-W interactions, explaining the experimental observation of random alloy Mo1−xWxS2. Negative formation energies point to a high miscibility. Tunability of the band edges and band gaps by alteration of the W concentration gives rise to a broad range of applications.

Effect of alloying Mo on mechanical strength and corrosion resistance of Zr-1% Sn-1% Nb-1% Fe alloy

International Nuclear Information System (INIS)

Sugondo

2011-01-01

It had been done research on Zr-1%Sn-1%Nb-1%Fe-(x)%Mo alloy. The ingot was prepared by means of electrical electrode technique. The chemical analysis was identified by XRF, the metallography examination was perform by an optical microscope, the hardness test was done by Vickers microhardness, and the corrosion test was done in autoclave. The objective of this research were making Zr-1%Sn-1%Nb-1%Fe-(x)%Mo alloy with Mo concentration; comparing effect of Mo concentration to metal characteristics of Zr-1%Sn-1%Nb-1%Fe which covered microstructure; composition homogeneity, mechanical strength; and corrosion resistance in steam, and determining the optimal Mo concentration in Zr-1%Sn-1%Nb-1%Fe-(x)% Mo alloy for nuclear fuel cladding which had corrosion resistance and high hardness. The results were as follow: The alloying Mo refined grains at concentration in between 0,1%-0,3% and the concentration more than that could coarsened grains. The hardness of the Zr-1%Sn-1%Nb-1%Fe-(x)%Mo alloy was controlled either by the flaw or the dislocation, the intersection of the harder alloying element, the solid solution of the alloying element and the second phase formation of ZrMo 2 . The corrosion rate of the Zr-1%Sn-1%Nb-1%Fe-(x)%Mo alloy was controlled by the second phase of ZrMo 2 . The 0.3% Mo concentration in Zr-1%Sn-1%Nb-1%Fe-(x)%Mo alloy was the best for second phase formation. The Mo concentration in between 0,3-0,5% in Zr-1%Sn-1%Nb-1%Fe-(x)%Mo alloy was good for the second phase formation and the solid solution. (author)

Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation

KAUST Repository

Pulikkotil, J. J.; Chroneos, A.; Schwingenschlö gl, Udo

2011-01-01

The structure of the Sn1−xGex random alloys is studied using density functional theory and the coherent potential approximation. We report on the deviation of the Sn1−xGex alloys from Vegard’s law, addressing their full compositional range

Electronic, magnetic and thermal properties of Co{sub 2}Cr{sub x}Fe{sub 1−x}X (X=Al, Si) Heusler alloys: First-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Guezlane, M. [Department of Physics, Faculty of Science, University of Batna, 05000 Batna (Algeria); Baaziz, H., E-mail: baaziz_hakim@yahoo.fr [Physics Department, Faculty of Science, University of M' sila, 28000 M' sila (Algeria); El Haj Hassan, F., E-mail: hassan.f@ul.edu.lb [Université Libanaise, Faculté des Sciences (I), Laboratoire de Physique et d’Electronique (LPE), Elhadath, Beirut (Lebanon); Charifi, Z. [Physics Department, Faculty of Science, University of M' sila, 28000 M' sila (Algeria); Djaballah, Y. [Laboratoire d’étude Physico-Chimique des Matériaux, Département de Physique, Faculté des Sciences, Université de Batna, Rue Chahid Boukhlouf, 05000 Batna (Algeria)

2016-09-15

Density functional theory (DFT) based on the full-potential linearized augmented plane wave (FP-LAPW) method is used to investigate the structural, electronic, magnetic and thermal properties of Co{sub 2}Cr{sub x}Fe{sub 1−x}X (X=Al, Si) full Heusler alloys, with L2{sub 1} structure. The structural properties and spin magnetic moments are investigated by the generalized gradient approximations (GGA) minimizing the total energy. For band structure calculations, GGA, the Engel–Vosko generalized gradient approximation (EVGGA) and modified Becke–Johnson (mBJ) schemes are used. Results of density of states (DOS) and band structures show that these alloys are half-metallic ferromagnets (HMFS). A regular-solution model has been used to investigate the thermodynamic stability of the compounds Co{sub 2}Cr{sub x}Fe{sub 1−x}X that indicates a phase miscibility gap. The thermal effects using the quasi-harmonic Debye model are investigated within the lattice vibrations. The temperature and pressure effects on the heat capacities, Debye temperatures and entropy are determined from the non-equilibrium Gibbs functions. - Highlights: • We present electronic, magnetic and thermal properties of Co{sub 2}Cr{sub x}Fe{sub 1−x}X (X=Al, Si) Heusler alloys. • The calculated phase diagram indicates a significant phase miscibility gap. • The computed band structures of ternary compounds using GGA, EVGGA and mBJ schemes indicate an indirect band gap (Γ-X) for the ternary compounds Co{sub 2}FeAl, Co{sub 2}CrAl, Co{sub 2}FeSi and Co{sub 2}CrSi while both alloys have a direct band gap. • The quasi-harmonic Debye model is successfully applied to determine the thermal properties.

Martensitic transformation and mechanical properties of Ni{sub 49+x}Mn{sub 36–x}In{sub 15} (x=0, 0.5, 1.0, 1.5 and 2.0) alloys

Energy Technology Data Exchange (ETDEWEB)

Zhou, Le; Mehta, Abhishek [Department of Materials Science and Engineering and Advanced Materials Processing and Analysis Center, University of Central Florida, Orlando, FL, 32816 (United States); Giri, Anit [TKC Global, 13873 Park Center Road, Herndon, VA 20171 (United States); Weapons and Materials Research Directorate, US Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Cho, Kyu [Weapons and Materials Research Directorate, US Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Sohn, Yongho, E-mail: Yongho.Sohn@ucf.edu [Department of Materials Science and Engineering and Advanced Materials Processing and Analysis Center, University of Central Florida, Orlando, FL, 32816 (United States)

2015-10-14

Five polycrystalline Ni{sub 49+x}Mn{sub 36–x}In{sub 15} (x=0, 0.5, 1.0, 1.5 and 2) alloys were prepared by triple arc-melting and examined to understand their martensitic transformation and mechanical properties. Martensitic transformation temperatures were determined by differential scanning calorimetry (DSC) and observed to increase with increasing Ni content. Powder X-ray diffraction (XRD) and transmission electron microscopy (TEM) showed that Ni{sub 49}Mn{sub 36}In{sub 15} is austenitic at room temperature while modulated 7M martensitic structure was observed in other alloys. Different twinning relationships between martensitic variants were revealed by TEM. Reduced elastic modulus and hardness were measured by nanoindentation. For the martensites, the reduced elastic modulus increased as the e/a increases, while hardness did not vary. The austenitic phase exhibited a lower reduced elastic modulus and hardness. A larger scatter in the reduced elastic modulus and hardness was observed for the martensitic phase in conjunction with variants of different orientation. The martensitic transformation behavior and nanoindentation results were also compared with Ni{sub 53+x}Mn{sub 22–x}Ga{sub 25} (x=0.5, 1.0, 1.8 and 2.5) alloys. For both Ni–Mn–In and Ni–Mn–Ga alloys, the martensitic transformation temperature and reduced elastic modulus increased as the e/a ratio increased.

Interplay between structure and magnetism in HoxPr1-x alloys. 2. Resonant x-ray magnetic scattering

DEFF Research Database (Denmark)

Vigliante, A.; Christensen, M.J.; Hill, J.P.

1998-01-01

X-ray-scattering techniques have been used to study the crystal and magnetic structures of HoxPr1-x alloys in the form of thin films. Three distinct crystal structures are found as a function of concentration x, each of which has a characteristic magnetic structure. For x greater than or equal to 0.......6 a hexagonal-close-packed phase is found with the magnetic moments ordered in a basal-plane helix, whereas for 0.4 less than or equal to x... hexagonal-close-packed and remain nonmagnetic down to the lowest temperatures studied. Using x-ray magnetic resonance scattering techniques, we demonstrate that a small, static spin-density wave is induced within the alloy 5d band at both the Pr and Ho sites in both of the magnetically ordered phases...

Quantitative description of the magnetization curves of amorphous alloys of the series a-Dy xGd 1-xNi

Science.gov (United States)

Barbara, B.; Amaral, V. S.; Filippi, J.

1992-10-01

The magnetization curves of the series of amorphous alloys Dy xGd 1- xNi measured between 1.5 and 4.2 K and up to 15 T, have been fitted to the zero kelvin analytical model of Chudnovsky [1]. The results of these fits allow a detailed understanding of the magnetization curves of amorphous alloys with ferromagnetic interactions. In particular, the ratio D/ J of the local anisotropy and exchange energies, and the magnetic and atomic correlation lengths, are accurately determined.

Epitaxial Al{sub x}Ga{sub 1–x}As:Mg alloys with different conductivity types

Energy Technology Data Exchange (ETDEWEB)

Seredin, P. V., E-mail: paul@phys.vsu.ru; Lenshin, A. S. [Voronezh State University (Russian Federation); Arsentiev, I. N., E-mail: arsentyev@mail.ioffe.ru; Zhabotinskii, A. V.; Nikolaev, D. N.; Tarasov, I. S.; Shamakhov, V. V. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Prutskij, Tatiana, E-mail: prutskiy@yahoo.com [Benemérita Universidad Autónoma de Puebla, Instituto de Ciencias (Mexico); Leiste, Harald; Rinke, Monika [Karlsruhe Nano Micro Facility (Germany)

2017-01-15

The structural, optical, and energy properties of epitaxial Al{sub x}Ga{sub 1–x}As:Mg/GaAs(100) heterostructures at different levels of doping with Mg are studied by high-resolution X-ray diffraction analysis and Raman and photoluminescence spectroscopies. It is shown that, by choosing the technological conditions of Al{sub x}Ga{sub 1–x}As:Mg alloy production, it is possible to achieve not only different conductivity types, but also substantially different charge-carrier concentrations in an epitaxial film.

Structural and electronic properties of Si1−xGex alloy nanowires

International Nuclear Information System (INIS)

Iori, Federico; Ossicini, Stefano; Rurali, Riccardo

2014-01-01

We present first-principles density-functional calculations of Si 1−x Ge x alloy nanowires. We show that given the composition of the alloy, the structural properties of the nanowires can be predicted with great accuracy by means of Vegard's law, linearly interpolating the values of a pure Si and a pure Ge nanowire of the same diameter. The same holds, to some extent, also for electronic properties such as the band-gap. We also assess to what extend the band-gap varies as a function of disorder, i.e., how it changes for different random realization of a given concentration. These results make possible to tailor the desired properties of SiGe alloy nanowires starting directly from the data relative to the pristine wires.

Magnetic properties of Co and Ni based alloy nanoparticles dispersed in a silica matrix

Energy Technology Data Exchange (ETDEWEB)

De Julian Fernandez, C. E-mail: dejulian@padova.infm.it; Sangregorio, C.; Mattei, G.; Maurizio, C.; Battaglin, G.; Gonella, F.; Lascialfari, A.; Lo Russo, S.; Gatteschi, D.; Mazzoldi, P.; Gonzalez, J.M.; D' Acapito, F

2001-04-01

A comparative study of the magnetic properties of Co and Ni based alloy nanoparticles (Ni-Co, Ni-Cu and Co-Cu) formed in a silica matrix by ion implantation is presented. Different ion doses and implantation sequences were realized in order to obtain different nanostructures. The structural and magnetic properties observed for the Cu{sub 50}Ni{sub 50} nanoparticles are similar to those of the Cu{sub 60}Ni{sub 40} bulk alloy. The crystal structure of Co{sub x}Ni{sub 1-x} (0{<=}x{<=}1) nanoparticles is similar to that of the corresponding bulk alloy. The magnetic properties depend on the ion-implanted dose and on the alloy composition. The samples prepared by implanting a 15x10{sup 16} ions/cm{sup 2} total dose contain nanoparticles, which are superparamagnetic at room temperature and their magnetic behavior is influenced by dipolar interparticle interactions. The magnetization of the CoNi samples at high magnetic field is larger than that of the corresponding bulk alloy and follows the same composition dependence of that quantity measured in the alloy.

A first principle study of phase stability, electronic structure and magnetic properties for Co{sub 2−x}Cr{sub x}MnAl Heusler alloys

Energy Technology Data Exchange (ETDEWEB)

Rached, H. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière, (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); Abidri, B.; Rabah, M.; Benkhettou, N. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Omran, S. Bin [Department of Physics and Astronomy, College of Science, King Saud University, P.O.Box 2455, Riyadh 11451 (Saudi Arabia)

2015-04-01

The structural stabilities, electronic and magnetic properties of Co{sub 2−x}Cr{sub x}MnAl alloys with (x=0,1 and 2) were investigated using the full-potential linear muffin-tin orbital (FP-LMTO) method, in the framework of the density functional theory (DFT) within the generalized gradient approximation (GGA) for the exchange correlation functional. The ground state properties including lattice parameter, bulk modulus for the two considered crystal structures Hg{sub 2}CuTi-Type (X-Type) and Cu{sub 2}MnAl-Type (L2{sub 1}-Type) are calculated. The half-metallicity within ferromagnetic ground state starts to appear in CoCrMnAl and Cr2MnAl. In the objective for the proposition of the new HM-FM in the Full-Heusler alloys, our results classified CoCrMnAl as new HM-FM material with high spin polarization. - Highlights: • Based on DFT calculations, Co2-xCrxMnAl Heusler alloys have been investigated. • The magnetic phase stability was determined from the total energy calculations. • The LMTO calculations have classified CoCrMnAl as new HM-FM material with high spin polarization.

The electronic and optical properties of quaternary GaAs1-x-y N x Bi y alloy lattice-matched to GaAs: a first-principles study.

Science.gov (United States)

Ma, Xiaoyang; Li, Dechun; Zhao, Shengzhi; Li, Guiqiu; Yang, Kejian

2014-01-01

First-principles calculations based on density functional theory have been performed for the quaternary GaAs1-x-y N x Bi y alloy lattice-matched to GaAs. Using the state-of-the-art computational method with the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, electronic, and optical properties were obtained, including band structures, density of states (DOSs), dielectric function, absorption coefficient, refractive index, energy loss function, and reflectivity. It is found that the lattice constant of GaAs1-x-y N x Bi y alloy with y/x =1.718 can match to GaAs. With the incorporation of N and Bi into GaAs, the band gap of GaAs1-x-y N x Bi y becomes small and remains direct. The calculated optical properties indicate that GaAs1-x-y N x Bi y has higher optical efficiency as it has less energy loss than GaAs. In addition, it is also found that the electronic and optical properties of GaAs1-x-y N x Bi y alloy can be further controlled by tuning the N and Bi compositions in this alloy. These results suggest promising applications of GaAs1-x-y N x Bi y quaternary alloys in optoelectronic devices.

Phase transformations in ion-mixed metastable (GaSb)1/sub 1 -x/(Ge2)/sub x/ semiconducting alloys

International Nuclear Information System (INIS)

Cadien, K.C.; Muddle, B.C.; Greene, J.E.

1984-01-01

Low energy (75--175 eV) Ar + ion bombardment during film deposition has been used to produce well-mixed amorphous GaSb/Ge mixtures which, when annealed, transform first to single phase polycrystalline metastable (GaSb)/sub 1-x/(Ge 2 )/sub x/ alloys before eventually transforming to the equilibrium two-phase state. At 500 0 C, for example, the annealing time t/sub a/ required for the amorphous to crystalline metastable (ACM) transformation was approx.10 min, while t/sub a/ for the crystalline metastable to equilibrium (CME) transformation was >6 h. The exothermic enthalpy of crystallization and the onset temperature of the ACM transition were determined as a function of alloy composition using differential thermal analysis. The thermodynamic data was then used to calculate the surface energy per unit area sigma of the amorphous/metastable-crystal interface. sigma was found to exhibit a minimum between x = 0.3 and 0.4. The driving energy for the transition from the crystalline metastable state to the equilibrium two-phase state was of the order of 0.12 kJ cm -3 while the activation barrier was approx.19 kJ cm -3 . Thus, the metastable alloys, which had average grain sizes of 100--200 nm and a lattice constant which varied linearly with x, exhibited good thermal and temporal stability

Strong composition-dependent disorder in InAs1-xNx alloys

International Nuclear Information System (INIS)

Benaissa, H.; Zaoui, A.; Ferhat, M.

2009-01-01

We investigate the main causes of disorder in the InAs 1-x N x alloys (x = 0, 0.03125, 0.0625, 0.09375, 0.125, 0.25, 0.5, 0.75, 0.875, 0.90625, 0.9375, 0.96875 and 1). The calculation is based on the density-functional theory in the local-density approximation. We use a plane wave-expansion non-norm conserving ab initio Vanderbilt pseudopotentials. To avoid the difficulty of considering the huge number of atomic configurations, we use an appropriate strategy in which we consider four configurations for a given composition where the N atoms are not randomly distributed. We mainly show that the band gap decreases (increases) rapidly with increasing (decreasing) compositions of N. As a consequence the optical band gap bowing is found to be strong and composition dependent. The obtained compounds, from these alloys, may change from semi-conducting to metal (passing to a negative bowing) and could be useful for device applications, especially at certain composition.

Organometallic chemical vapor deposition and characterization of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates

Science.gov (United States)

Xing, G. C.; Bachmann, Klaus J.; Posthill, J. B.; Timmons, M. L.

1993-01-01

The epitaxial growth of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates by open tube organometallic chemical vapor deposition (OMCVD) is reported. The chemical composition of the alloys characterized by energy dispersive X-ray spectroscopy shows that alloys with x up to 0.13 can be deposited on (001) GaP. Epitaxial growth with mirror smooth surface morphology was achieved for x less than or equal to 0.05. Transmission electron microscopy (TEM) micrographs of these alloys show specular epitaxy and the absence of microstructural defects indicating a defect density of less than 10(exp 7) cm(sup -2). Selected area electron diffraction pattern of the alloy shows that the epitaxial layer crystallizes in the chalcopyrite structure with relatively weak superlattice reflections indicating certain degree of randomness in the cation sublattice. Hall measurements show that the alloys are p-type, like the unalloyed films; the carrier concentration, however, dropped about 10 times from 2 x 10(exp 18) to 2 x 10(exp 17) cm(sup -3). Absorption measurements indicate that the band tailing in the absorption spectra of the alloy was shifted about 0.04 eV towards shorter wavelength as compared to the unalloyed material. Diodes fabricated from the n(+)-GaP/p-ZnSiP2-ZnGeP2-Ge heterostructure at x = 0.05 have a reverse break-down voltage of -10.8 V and a reverse saturation current density of approximately 6 x 10(exp -8) A/sq cm.

Optical characterization of In xGa 1- xN alloys

Science.gov (United States)

Gartner, M.; Kruse, C.; Modreanu, M.; Tausendfreund, A.; Roder, C.; Hommel, D.

2006-10-01

InGaN layers were grown by molecular beam epitaxy (MBE) either directly on (0 0 0 1) sapphire substrates or on GaN-template layers deposited by metal-organic vapor-phase epitaxy (MOVPE). We combined spectroscopic ellipsometry (SE), Raman spectroscopy (RS), photoluminescence (PL) and atomic force microscopy (AFM) measurements to investigate optical properties, microstructure, vibrational and mechanical properties of the InGaN/GaN/sapphire layers. The analysis of SE data was done using a parametric dielectric function model, established by in situ and ex situ measurements. A dielectric function database, optical band gap, the microstructure and the alloy composition of the layers were derived. The variation of the InGaN band gap with the In content ( x) in the 0 < x ≤ 0.14 range was found to follow the linear law Eg = 3.44-4.5 x. The purity and the stability of the GaN and InGaN crystalline phase were investigated by RS.

Soft x-ray emission studies of several aluminum alloys

International Nuclear Information System (INIS)

Tsang, K.L.; Zhang, C.H.; Callcott, T.A.; Arakawa, E.T.; Ederer, D.L.; Biancaniello, F.; Curelaru, I.

1986-01-01

During the first few months of operation of our soft x-ray spectrometer at the NSLS, we have measured the L emission spectrum for three classes of aluminum alloys: dilute aluminum-magnesium alloys to extend the Al-Mg system to the impurity limit; a 50-50 alloy of aluminum-lithium to characterize the band structure of bulk samples of this potential battery electrolite; and the icosahedral and normal Al-Mn alloys to see if the two phases had measurably different density of states which have been predicted. All spectra shown are produced when core holes generated by energetic electrons or photons are filled by radiative transitions from conduction band states. Dipole selection rules govern the transitions. Thus, K spectra provide a measure of the p-symmetic partial density of states (DOS) near the atom. Similarly, L spectra produced by transitions to p-core holes map the s and d symmetric DOS in the vicinity of the atom with the core hole

Soft x-ray emission studies of several aluminum alloys

Energy Technology Data Exchange (ETDEWEB)

Tsang, K.L.; Zhang, C.H.; Callcott, T.A.; Arakawa, E.T.; Ederer, D.L.; Biancaniello, F.; Curelaru, I.

1986-09-23

During the first few months of operation of our soft x-ray spectrometer at the NSLS, we have measured the L emission spectrum for three classes of aluminum alloys: dilute aluminum-magnesium alloys to extend the Al-Mg system to the impurity limit; a 50-50 alloy of aluminum-lithium to characterize the band structure of bulk samples of this potential battery electrolite; and the icosahedral and normal Al-Mn alloys to see if the two phases had measurably different density of states which have been predicted. All spectra shown are produced when core holes generated by energetic electrons or photons are filled by radiative transitions from conduction band states. Dipole selection rules govern the transitions. Thus, K spectra provide a measure of the p-symmetic partial density of states (DOS) near the atom. Similarly, L spectra produced by transitions to p-core holes map the s and d symmetric DOS in the vicinity of the atom with the core hole.

Absence of intrinsic ferromagnetism in Zn1-xMnxO alloys

International Nuclear Information System (INIS)

Zhang Huawei; Shi Erwei; Chen Zhizhan; Liu Xuechao; Xiao Bing

2006-01-01

Zn 1-x Mn x O alloys, with different Mn concentrations, were prepared by the hydrothermal method. X-ray diffraction and electron paramagnetic resonance spectra demonstrate that Zn 2+ ions are homogeneously substituted by Mn 2+ ions without changing the ZnO wurtzite structure. The x = 0.02 and 0.04 samples are paramagnetic. When the Mn concentrations are increased to x = 0.08 and 0.10, the samples exhibit some ferromagnetism due to a secondary phase (Zn,Mn)Mn 2 O 4 . (letter to the editor)

Magnetic Properties of Nanocrystalline Fe{sub x}Cu{sub 1-x} Alloys Prepared by Ball Milling

Energy Technology Data Exchange (ETDEWEB)

Yousif, A.; Bouziane, K., E-mail: bouzi@squ.edu.om; Elzain, M. E. [Sultan Qaboos University, Physics Department, College of Science (Oman); Ren, X.; Berry, F. J. [The Open University, Department of Chemistry (United Kingdom); Widatallah, H. M. [Sudan Atomic Energy Commission, Institute of Nuclear Research (Sudan); Al Rawas, A.; Gismelseed, A.; Al-Omari, I. A. [Sultan Qaboos University, Physics Department, College of Science (Oman)

2004-12-15

X-ray diffraction, Moessbauer and magnetization measurements were used to study Fe{sub x}Cu{sub 1-x} alloys prepared by ball-milling. The X-ray data show the formation of a nanocrystalline Fe-Cu solid solution. The samples with x{>=}0.8 and x{<=}0.5 exhibit bcc or fcc phase, respectively. Both the bcc and fcc phases are principally ferromagnetic for x{>=}0.2, but the sample with x=0.1 remains paramagnetic down to 78 K. The influence of the local environment on the hyperfine parameters and the local magnetic moment are discussed using calculations based on the discrete-variational method in the local density approximation.

Moessbauer and X-ray Study of Fe1-xAlx, 0.2≤x≤0.5, Samples Produced by Mechanical Alloying

International Nuclear Information System (INIS)

Oyola Lozano, D.; MartInez, Y. Rojas; Bustos, H.; Perez Alcazar, G. A.

2004-01-01

In this work we report the magnetic and structural properties obtained by Moessbauer spectroscopy and X-ray diffraction, of the Fe 1-x Al x , 0.2≤x≤0.5, alloys produced by mechanical alloying. Alloys with x=0.2, 0.3, 0.4 and 0.5, were for milled 12, 24, 36, and 48 hours. All the obtained alloys are in the bcc phase. The obtained Moessbauer spectra are characteristic of disordered ferromagnetic system. The lattice parameter remains nearly constant (∼2.91 A) for all the milling times and compositions. The mean grain sizes in the (110) and (211) direction are nearly constants with the milling time but vary from 15.5 to 11 nm and from 10.5 to 8.5 nm when Al content grow between x=0.2 to x=0.4, respectively. The difference between the mean grain sizes in these two directions shows that the grains are of prolate spheroid form.

First-principles investigation of the optical properties for rocksalt mixed metal oxide Mg{sub x}Zn{sub 1−x}O

Energy Technology Data Exchange (ETDEWEB)

Hadjab, Moufdi [Applied Materials Laboratory, Research Center, University Djillali Liabes, 22000, Sidi Bel Abbes (Algeria); Thin Films Development and Applications Unit UDCMA, Setif – Research Center in Industrial Technologies CRTI, P. O. Box 64, Cheraga, 16014, Algiers (Algeria); Berrah, Smail [Mastery Renewable Energies Laboratory (LMER), University of A. Mira, Bejaia (Algeria); Abid, Hamza; Ziane, Mohamed Issam; Bennacer, Hamza [Applied Materials Laboratory, Research Center, University Djillali Liabes, 22000, Sidi Bel Abbes (Algeria); Reshak, Ali H., E-mail: maalidph@yahoo.co.uk [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 30614, Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007, Kangar, Perlis (Malaysia)

2016-10-01

In this paper, we have presented a theoretical study of the optical properties for the cubic Mg{sub x}Zn{sub 1−x}O (x = 0.0, 0.125, 0.375, 0.625, 0.875 and 1.0) alloys using the full-potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT). The local density approximation (LDA) was applied to calculate the structural properties. In order to explore the desired properties, the Mg{sub x}Zn{sub 1−x}O alloys were modeled at various x compositions from 0.0 to 1.0 by step of 0.125. The recently modified semi-local Becke-Johnson potential with LDA correlation in the form of mBJ-LDA was used to predict the energy band gap, optical dielectric function, refractive index, absorption coefficient, reflectivity, optical conductivity and the electron energy loss of Mg{sub x}Zn{sub 1−x}O alloys. The obtained results show good agreement with the experimental data, which indicate that the investigated ternary alloys are among promising material for the fabrication of electronic, optoelectronic devices and their applications. - Highlights: • Theoretical study of optical properties of the cubic alloy Mg{sub x}Zn{sub 1−x}O. • The lattice constants, the bulk modulus B and it’s pressure derivative B′ were obtained. • The calculated energy gaps within mBJ show good agreement with the experimental data. • The optical properties were calculated and discussed in details.

Bimodal microstructure and deformation of cryomilled bulk nanocrystalline Al-7.5Mg alloy

International Nuclear Information System (INIS)

Lee, Z.; Witkin, D.B.; Radmilovic, V.; Lavernia, E.J.; Nutt, S.R.

2005-01-01

The microstructure, mechanical properties and deformation response of bimodal structured nanocrystalline Al-7.5Mg alloy were investigated. Grain refinement was achieved by cryomilling of atomized Al-7.5Mg powders, and then cryomilled nanocrystalline powders blended with 15 and 30% unmilled coarse-grained powders were consolidated by hot isostatic pressing followed by extrusion to produce bulk nanocrystalline alloys. Bimodal bulk nanocrystalline Al-7.5Mg alloys, which were comprised of nanocrystalline grains separated by coarse-grain regions, show balanced mechanical properties of enhanced yield and ultimate strength and reasonable ductility and toughness compared to comparable conventional alloys and nanocrystalline metals. The investigation of tensile and hardness test suggests unusual deformation mechanisms and interactions between ductile coarse-grain bands and nanocrystalline regions

Pressure dependence of Raman modes in the chalcopyrite quaternary alloy AgxCu1-xGaS2

International Nuclear Information System (INIS)

Choi, In-Hwan; Yu, Peter Y.

2000-01-01

Raman scattering in the chalcopyrite quaternary alloy Ag x Cu 1-x GaS 2 has been studied under high pressure (up to 7 GPa) and at low temperature (50 K) using a diamond anvil high pressure cell for alloy concentrations x=1, 0.75, 0.5, 0.25 and 0. This has allowed us to determine the dependence of their zone-center phonon modes on both pressure and alloy concentration. The resultant phonon pressure coefficients are helpful in understanding the nature of the phonon modes in these chalcopyrites

Large roomtemperature magnetocaloric effect with negligible magnetic hysteresis losses in Mn1-xVxCoGe alloys

International Nuclear Information System (INIS)

Ma, S.C.; Zheng, Y.X.; Xuan, H.C.; Shen, L.J.; Cao, Q.Q.; Wang, D.H.; Zhong, Z.C.; Du, Y.W.

2012-01-01

The magnetic and magnetocaloric properties have been investigated in a series of Mn 1-x V x CoGe (x=0.01, 0.02, 0.03, and 0.05) alloys. The substitution of V for Mn reduces the structural transformation temperature of MnCoGe alloy effectively and results in a second-order magnetic transition in Mn 0.95 V 0.05 CoGe alloys. Large room temperature magnetocaloric effect and almost zero magnetic hysteresis losses are simultaneously achieved in the alloys with x=0.01, 0.02, and 0.03. The reasons for the negligible magnetic hysteresis losses and the potential application for the roomtemperature magnetic refrigeration are discussed. - Highlights: → V-substitution for Mn reduces the structural transformation temperature of MnCoGe. → FM-PM transition presents the second-order nature in Mn0.95V0.05CoGe. → The first-order FM-PM transitions are observed for alloys with x=0.01, 0.02, and 0.03. → Large room temperature MCEs are achieved in these alloys. → Negligible magnetic HL is achieved for these alloys simultaneously.

Direct observation of the crystal structure changes in the Mg{sub x}Zn{sub 1−x}O alloy system

Energy Technology Data Exchange (ETDEWEB)

Yoo, Seung Jo; Lee, Ji-Hyun; Kim, Chang-Yeon [Nano-Bio Electron Microscopy Research Group, Korea Basic Science Institute (KBSI), 169-148 Gwahak-ro, Yuseong-gu, Daejeon 305-806 (Korea, Republic of); Kim, Chang Hoi [Department of Nano Semiconductor Engineering, Korea Maritime and Ocean University, 727 Taejong-ro, Yeongdo-Gu, Busan 606-791 (Korea, Republic of); Shin, Jae Won [Nano-Bio Electron Microscopy Research Group, Korea Basic Science Institute (KBSI), 169-148 Gwahak-ro, Yuseong-gu, Daejeon 305-806 (Korea, Republic of); Center for Nanomaterials and Chemical Reactions, Institute for Basic Science (IBS), Daejeon 305-701 (Korea, Republic of); Kim, Hong Seung, E-mail: hongseung@hhu.ac.kr [Department of Nano Semiconductor Engineering, Korea Maritime and Ocean University, 727 Taejong-ro, Yeongdo-Gu, Busan 606-791 (Korea, Republic of); Kim, Jin-Gyu, E-mail: jjintta@kbsi.re.kr [Nano-Bio Electron Microscopy Research Group, Korea Basic Science Institute (KBSI), 169-148 Gwahak-ro, Yuseong-gu, Daejeon 305-806 (Korea, Republic of)

2015-08-03

We directly observed the crystal structure changes of the Mg{sub x}Zn{sub 1−x}O alloy thin film deposited on Si (111) substrates. Through the in situ heating transmission electron microscopy study, it was determined that the crystal structure changes did not occur up to at 400 °C, whereas the disappearance of the hexagonal structure was observed at 500 °C in the layer of nanosized grains. Additionally, the decreased intensity of the Zn L-edge was analyzed in the comparison of the core loss electron energy loss spectroscopy spectra of the Zn L-edge and the Mg K-edge obtained at room temperature and 500 °C. Based on these experimental results, the process of crystal structure changes could be explained by the evaporation of Zn atoms in the Mg{sub x}Zn{sub 1−x}O alloy system. This phenomenon is prominent in the improvement of the microstructure of the Mg{sub x}Zn{sub 1−x}O alloy thin film by controlling the thermal annealing temperature. - Highlights: • Mg{sub x}Zn{sub 1−x}O thin films coexisting with cubic and hexagonal structures were deposited. • Crystal structure changes of the thin films were directly observed at 500 °C. • The process of microstructure changes could be caused by the evaporation of Zn atoms.

Effects of heat treatment on the morphology of long-period stacking ordered phase and the corresponding mechanical properties of Mg–9Gd–xEr–1.6Zn–0.6Zr magnesium alloys

International Nuclear Information System (INIS)

Wang, Jingfeng; Song, Pengfei; Huang, Song; Pan, Fusheng

2013-01-01

This study investigates the effects of heat treatment on the morphology of long-period stacking ordered phase (LPSO) and the corresponding mechanical properties of Mg–9Gd–xEr–1.6Zn–0.6Zr (1–4 wt%) using optical microscopy, scanning electron microscopy, energy-dispersive X-ray spectrometry, X-ray diffraction, transmission electron microscopy, and tensile tests. The microstructure analysis of the as cast alloys showed that the volume fraction of the (Mg, Zn) 3 (Gd, Er) phase increased with increasing Er content. The (Mg, Zn) 3 (Gd, Er) phase in grain boundaries transformed into the 14H-LPSO phase Mg 12 Zn(Gd, Er) after heat treatment between 400 °C and 515 °C. The bulk shaped LPSO phases distributed along the grain boundaries produced isometric crystal grains in and enhanced the ductility of the as-extruded alloys. However, the lamellar LPSO phases precipitating in the grain interior induced strip-shaped grains in and improved the strength of the as-extruded alloys

Photoluminescence and electrical impedance measurements on alloyed Zn{sub (1-x)}Cd{sub x}S nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Saravanan, R. Sakthi Sudar, E-mail: rsakthiss@yahoo.com [Physics Research Centre, S.T. Hindu College, Nagercoil 629 002 (India); Mahadevan, C.K. [Physics Research Centre, S.T. Hindu College, Nagercoil 629 002 (India)

2012-11-15

Highlights: Black-Right-Pointing-Pointer High yield synthesis of Zn-Cd-S QDs. is achieved by solvothermal-microwave heating. Black-Right-Pointing-Pointer The samples are highly crystalline and the average particle size is {approx}3.5 nm. Black-Right-Pointing-Pointer High luminescent quantum yield and narrow emission spectral widths are obtained. Black-Right-Pointing-Pointer High conduction activation energy is observed in the case of Zn-Cd coexisting QDs. - Abstract: A series of wurtzite Zn{sub (1-x)}Cd{sub x}S (x = 0, 0.25, 0.5, 0.75 and 1) nanocrystals with average crystallite size of 1.98, 1.82, 1.80, 2.04 and 2.51 nm, respectively, have been synthesized by simple solvothermal microwave heating method. The photoluminescence yield is found to be higher in the case of alloyed nanocrystals (x = 0.25, 0.5, 0.75) as compared to ZnS (x = 0) and CdS (x = 1). The optical emission is tuned from blue (440 nm) to orange (575 nm) with the increase of Cd composition in Zn{sub (1-x)}Cd{sub x}S nanocrystal. The impedance analysis for Zn{sub (1-x)}Cd{sub x}S nanocrystals has been measured as a function of frequency and temperature. The real and imaginary part of complex impedance plots exhibit semicircle behavior in the complex plane. The AC activation energies of ZnS, Zn{sub 0.75}Cd{sub 0.25}S, Zn{sub 0.5}Cd{sub 0.5}S, Zn{sub 0.25}Cd{sub 0.75}S and CdS nanocrystals were calculated from electrical conductivity analysis and are found to be 0.188, 0.378, 0.456, 0.284 and 0.255 eV, respectively. The conductivity of the alloyed nanocrystals was higher than that of ZnS and CdS.

{\\rm{ZnO}}_{1-{{x}}}{\\rm{Te}}_{{{x}}} and {\\rm{ZnO}}_{1-{{x}}}\\rm{S}_{{{x}}} semiconductor alloys as competent materials for opto-electronic and solar cell applications: a comparative analysis

Science.gov (United States)

Das, Utsa; Pal, Partha P.

2017-08-01

ZnO1-x Te x ternary alloys have great potential to work as a photovoltaic (PV) absorber in solar cells. ZnO1-x S x is also a ZnO based alloy that have uses in solar cells. In this paper we report the comparative study of various parameters of ZnO1-x Te x and ZnO1-x S x for selecting it to be a competent material for solar cell applications. The parameters are mainly being calculated using the well-known VCA (virtual crystal approximation) and VBAC (Valence Band Anti-Crossing) model. It was certainly being analysed that the incorporation of Te atoms produces a high band gap lower than S atoms in the host ZnO material. The spin-orbit splitting energy value of ZnO1-x Te x was found to be higher than that of ZnO1-x S x . Beside this, the strain effects are also higher in ZnO1-x Te x than ZnO1-x S x . The remarkable notifying result which the paper is reporting is that at a higher percentage of Te atoms in ZnO1-x Te x , the spin-orbit splitting energy value rises above the band gap value, which signifies a very less internal carrier recombination that decreases the leakage current and increases the efficiency of the solar cell. Moreover, it also covers a wide wavelength range compared to ZnO1-x S x .

Magnetic properties of Co and Ni based alloy nanoparticles dispersed in a silica matrix

International Nuclear Information System (INIS)

De Julian Fernandez, C.; Sangregorio, C.; Mattei, G.; Maurizio, C.; Battaglin, G.; Gonella, F.; Lascialfari, A.; Lo Russo, S.; Gatteschi, D.; Mazzoldi, P.; Gonzalez, J.M.; D'Acapito, F.

2001-01-01

A comparative study of the magnetic properties of Co and Ni based alloy nanoparticles (Ni-Co, Ni-Cu and Co-Cu) formed in a silica matrix by ion implantation is presented. Different ion doses and implantation sequences were realized in order to obtain different nanostructures. The structural and magnetic properties observed for the Cu 50 Ni 50 nanoparticles are similar to those of the Cu 60 Ni 40 bulk alloy. The crystal structure of Co x Ni 1-x (0≤x≤1) nanoparticles is similar to that of the corresponding bulk alloy. The magnetic properties depend on the ion-implanted dose and on the alloy composition. The samples prepared by implanting a 15x10 16 ions/cm 2 total dose contain nanoparticles, which are superparamagnetic at room temperature and their magnetic behavior is influenced by dipolar interparticle interactions. The magnetization of the CoNi samples at high magnetic field is larger than that of the corresponding bulk alloy and follows the same composition dependence of that quantity measured in the alloy

Pressure effect on thermopower of Y1-xGdxCo2 alloy system

International Nuclear Information System (INIS)

Nakama, T.; Takaesu, Y.; Uchima, K.; Yagasaki, K.; Hedo, M.; Uwatoko, Y.; Burkov, A.T.

2007-01-01

Thermopower of Y 1-x Gd x Co 2 pseudobinary compounds has been measured at temperatures from 1.5 to 300K under hydrostatic pressure up to 2GPa and in magnetic field 0-15T. In the inhomogeneous and paramagnetic regions of the phase diagram the main contribution to the electronic transport is related to the strong static magnetic fluctuations, which arise due to interplay of structural disorder within Gd-sublattice and Co-3d itinerant electron metamagnetism. This complex magnetic disorder brings about novel transport phenomena, such as anomalous positive magnetoresistance found in ferrimagnetic state of the alloys. The low-temperature thermopower is almost independent of alloy composition in the ferrimagnetic range of the phase diagram (x>0.3) indicating that the alloying does not change electronic structure of the compounds in a close vicinity of Fermi energy. However, the thermopower shows substantial variation with the composition in the inhomogeneous and in the paramagnetic regions of the phase diagram reflecting evolution of the magnetic structure with the composition

X-ray diffraction (XRD) characterization of microstrain in some iron and uranium alloys

International Nuclear Information System (INIS)

Kimmel, G.; Dayan, D.; Frank, G.A.; Landau, A.

1996-01-01

The high linear attenuation coefficient of steel, uranium and uranium based alloys is associated with the small penetration depth of X-rays with the usual wavelength used for diffraction. Nevertheless, by using the proper surface preparation technique, it is possible of obtaining surfaces with bulk properties (free of residual mechanical microstrain). Taking advantage of the feasibility to obtain well prepared surfaces, extensive work has been conducted in studying XRD line broadening effects from flat polycrystalline samples of steel, uranium and uranium alloys

New view on In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y}alloys

Energy Technology Data Exchange (ETDEWEB)

Elyukhin, Vyacheslav A. [Departamento de Ingenieria Electrica, Centro de Investigacion y de Estudios Avanzados del Instituto Politecnico Nacional, Avenida Instituto Politecnico Nacional 2508, 07360, Mexico (Mexico)

2015-12-15

Semiconductors with isoelectronic centers are actively studied to fabricate arrays of identical single photon emitters. Self-assembling of 4N10In and 1N4In clusters in GaAs-rich In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y} is represented. All or almost all In atoms are in 4N10In clusters from 0 to 800 C in In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y} with x = 1 x 10{sup -4}, y = 1 x 10{sup -4} and x = 1 x 10{sup -5}, y = 1 x 10{sup -5}. All or almost all nitrogen atoms are in 1N4In clusters if x = 0.01, y = 1 x 10{sup -4} and x = 1 x 10{sup -3}, y = 1 x 10{sup -6}. There are both types of clusters in alloys with x = 5 x 10{sup -5}, y = 5 x 10{sup -7}; x = 2 x 10{sup -4}, y = 2 x 10{sup -6}; x = 1 x 10{sup -4}, y = 1 x 10{sup -5} and x = 2 x 10{sup -3}, y = 2 x 10{sup -4} and portions of nitrogen atoms in clusters depend on the composition and temperature. Thus, In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y} are promising semiconductors to obtain arrays of identical isoelectronic clusters with the desirable density. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Microstructure, Tensile Properties, and Corrosion Behavior of Die-Cast Mg-7Al-1Ca- xSn Alloys

Science.gov (United States)

Wang, Feng; Dong, Haikuo; Sun, Shijie; Wang, Zhi; Mao, Pingli; Liu, Zheng

2018-02-01

The microstructure, tensile properties, and corrosion behavior of die-cast Mg-7Al-1Ca- xSn ( x = 0, 0.5, 1.0, and 2.0 wt.%) alloys were studied using OM, SEM/EDS, tensile test, weight loss test, and electrochemical test. The experimental results showed that Sn addition effectively refined grains and intermetallic phases and increased the amount of intermetallic phases. Meanwhile, Sn addition to the alloys suppressed the formation of the (Mg,Al)2Ca phase and resulted in the formation of the ternary CaMgSn phase and the binary Mg2Sn phase. The Mg-7Al-1Ca-0.5Sn alloy exhibited best tensile properties at room temperature, while Mg-7Al-1Ca-1.0Sn alloy exhibited best tensile properties at elevated temperature. The corrosion resistance of studied alloys was improved by the Sn addition, and the Mg-7Al-1Ca-0.5Sn alloy presented the best corrosion resistance.

Hydrogen storage behavior of ZrCo1-xNix alloys

International Nuclear Information System (INIS)

Jat, Ram Avtar; Parida, S.C.; Agarwal, Renu; Kulkarni, S.G.

2012-01-01

Intermetallic compound ZrCo is proposed as a candidate material for storage, supply and recovery of hydrogen isotopes in International Thermonuclear Experimental Reactor (ITER) Storage and Delivery System (SDS). However, it has been reported that upon repeated hydriding-dehydriding cycles, ZrCo undergoes disproportionation as per the reaction; 2ZrCo + H 2 ↔ ZrH 2 + ZrCO 2 . This results in reduction in hydrogen storage capacity of ZrCo, which is not a desirable property for SDS. Konishi et al. reported that the disproportionation reaction can be suppressed by decreasing the desorption temperature. It is anticipated that suitable ternary alloying of ZrCo can elevated the hydrogen equilibrium pressure and hence decrease the desorption temperature for supply of 100 kPa of hydrogen. In this study, we have investigated the effect of Ni content on the hydrogenation behavior of ZrCo 1-x Ni x alloys

Magnetic spin configuration in Fe{sub 50}Pt{sub 50-x}Rh{sub x} alloys

Energy Technology Data Exchange (ETDEWEB)

Fenske, J.; Lott, D.; Schreyer, A. [GKSS Research Centre (Germany); Mankey, G.J. [University of Alabama, MINT Center (United States); Schmidt, W.; Schmalzl, K. [Juelich Research Centre (Germany); Tartakowskaya, E. [Institute for Magnetism, National Ukrainian Accademy of Science (Ukraine)

2010-07-01

FePt-based alloys are typically the material of choice for magnetic information storage media. The high magnetic moment of Fe gives a large magnetization and the large atomic number of Pt results in a high magnetic anisotropy. This combination enables the written bits to be smaller than ever before. One way to control the magnetic properties in these materials is through the introduction of a third element into the crystal matrix e.g. Rh. When Rh is added to replace Pt in the equiatomic alloy, new magnetic phases emerge. Bulk samples of Fe{sub 50}Pt{sub 50-x}Rh{sub x} studied by magnetization measurements refer to three different phase transitions with increasing temperature: (I) An antiferromagnetic (AF)-paramagnetic (PM) transition for 30<x<14.25, (II), an AF-ferromagnetic (FM) transition for 14.25<x<9.5 and, (III), a FM-PM transition 9.5<x<0. Here we present results on a series of 200 nm Fe{sub 50}Pt{sub 50-x}Rh{sub x} films with different Rh concentrations. These films were examined by neutron diffraction in dependence of temperature and magnetic field. By the use of polarized and unpolarized neutron diffraction we could develop a detailed model of the magnetic spin structure in these thin films.

Effect of excess Ni on martensitic transition, exchange bias and inverse magnetocaloric effect in Ni{sub 2+x}Mn{sub 1.4−x}Sn{sub 0.6} alloy

Energy Technology Data Exchange (ETDEWEB)

Ray, Mayukh K., E-mail: mayukh.ray@saha.ac.in; Bagani, K.; Banerjee, S., E-mail: sangam.banerjee@saha.ac.in

2014-07-05

Highlights: • Excess Ni causes an increase in the martensite transition temperature. • The system Ni{sub 2+x}Mn{sub 1.4−x}Sn{sub 0.6} exhibit multifunctional properties. • The RCP and EB increases continuously with excess Ni concentration in the system. • Antiferromagnetic interaction increases with excess Ni concentration. - Abstract: The martensitic transition, exchange bias (EB) and inverse magnetocaloric effect (IMCE) of bulk Ni{sub 2+x}Mn{sub 1.4−x}Sn{sub 0.6} (x = 0, 0.06, 0.12, 0.18) Heusler alloy is investigated in this paper. Substitution of Mn by Ni causes an increase in the martensite transition temperature (T{sub M}), decrease in Curie temperature of austenite phase (T{sub C}{sup A}) and also a decrease in the saturation magnetic moment (M{sub sat}). While the decrease in T{sub C}{sup A} and M{sub sat} is explained by the dilution of the magnetic subsystems and on the other hand the increase in T{sub M} is due to the increase of valence electron concentration per atom (e/a). All the alloys shows EB effect below a certain temperature (T{sup ∗}) and EB field (H{sub EB}) value is almost thrice in magnitude for x = 0.18 sample compared to x = 0 sample at 5 K. In these alloys, Ni/Mn atoms at regular site couples antiferromagnetically (AFM) with the excess Ni atoms at Mn or Sn sites and this AFM coupling plays the key role in the observation of EB. For the IMCE, the change in magnetic entropy (ΔS{sub M}) initially increased with excess Ni concentration upto x = 0.12 but then a drastic fall in ΔS{sub M} value is observed for the sample x = 0.18 but the relative cooling power (RCP) value is increased continuously with the excess Ni concentration.

First-principles study of the phase stability and the mechanical properties of W-Ta and W-Re alloys

Directory of Open Access Journals (Sweden)

Ning Wei

2014-05-01

Full Text Available The phase stability and mechanical properties of binary W1−xTax and W1−xRex alloys were investigated using the full-potential augmented plane-wave method. The special quasirandom structures(SQSs of these alloys are mechanically stable due to all of the positive elastic constants and negative binding energies. The binding energies of both the W1−xTax and W1−xRex alloys also exhibit energy favorable asymmetry toward the W-rich side. In addition, the bulk modulus of the W1−xTax alloys decrease gradually with the increase of the Ta concentration, while those of the W1−xRex alloys increase gradually with the increase of the Re concentration. Consequently, the bulk modulus of W metal can be improved by doping with Re, implying that the resistance to deformation is enhanced. Based on the mechanical characteristic G/B and Poisson's ratio ν, both the W1−xTax and W1−xRex alloys are regarded as being ductile materials, the ductility of which improves with the increase of Ta or Re.

Bulk synthesis by spray forming of Al–Cu–Fe and Al–Cu–Fe–Sn alloys containing a quasicrystalline phase

International Nuclear Information System (INIS)

Srivastava, V.C.; Huttunen-Saarivirta, E.; Cui, C.; Uhlenwinkel, V.; Schulz, A.; Mukhopadhyay, N.K.

2014-01-01

Highlights: • 40 kg Bulk material spray formed based on Al–Cu–Fe and Al–Cu–Fe + Sn. • Deposited Al–Cu–Fe alloy showed single phase bulk quasicrystals(QC). • DSC, XRD and microscopic analyses were done to ascertain the QC nature. • Sn does not help in single phase quasicrystal formation in the deposit. • The possible structural evolution mechanisms have been discussed in detail. - Abstract: In this study, Al–Cu–Fe alloys without and with the addition of Sn and containing a quasicrystalline phase were spray deposited. The spray-deposited bulk materials were characterized in terms of microstructure and hardness. The results showed that the Al 62.5 Cu 25 Fe 12.5 alloy contains the icosahedral quasicrystalline phase (i-phase) along with the minor λ-Al 13 Fe 4 phase, whereas the Al 62.5 Cu 25 Fe 12.5 + Sn alloy contains five phases: the major i-phase and the crystalline phases of Sn, θ-Al 2 Cu, λ-Al 13 Fe 4 and β-AlFe(Cu) phases. These results have been corroborated by X-ray diffraction (XRD), scanning and transmission electron microscopies (SEM and TEM) and differential scanning calorimetry (DSC). The hardness value of the Al–Cu–Fe alloy reached 10.5 GPa at 50 g load and then decreased steadily with increase in the applied load, while that for Al–Cu–Fe–Sn alloy it was originally somewhat lower, then decreased dramatically with slight increase in the applied load but stayed constant with further load increase. The hardness indentations in Al–Cu–Fe alloy introduced cracking in the material, whereas in the case of Al–Cu–Fe–Sn alloy the Sn-rich areas inhibited the crack growth. The present study provides an insight into the mechanism of phase and microstructural evolutions during spray forming of the studied alloys. Furthermore, the role of Sn in terms of microstructure and properties is highlighted

Optical characterization of In xGa1-xN alloys

International Nuclear Information System (INIS)

Gartner, M.; Kruse, C.; Modreanu, M.; Tausendfreund, A.; Roder, C.; Hommel, D.

2006-01-01

InGaN layers were grown by molecular beam epitaxy (MBE) either directly on (0 0 0 1) sapphire substrates or on GaN-template layers deposited by metal-organic vapor-phase epitaxy (MOVPE). We combined spectroscopic ellipsometry (SE), Raman spectroscopy (RS), photoluminescence (PL) and atomic force microscopy (AFM) measurements to investigate optical properties, microstructure, vibrational and mechanical properties of the InGaN/GaN/sapphire layers. The analysis of SE data was done using a parametric dielectric function model, established by in situ and ex situ measurements. A dielectric function database, optical band gap, the microstructure and the alloy composition of the layers were derived. The variation of the InGaN band gap with the In content (x) in the 0 g = 3.44-4.5x. The purity and the stability of the GaN and InGaN crystalline phase were investigated by RS

Hyperfine-field distribution in Fe3Si/sub 1-x/Al/sub x/ alloys and a theoretical interpretation

International Nuclear Information System (INIS)

Burch, T.J.; Raj, K.; Jena, P.; Budnick, J.I.; Niculescu, V.; Muir, W.B.

1979-01-01

In Fe 3 Si/sub 1-x/Al/sub x/ alloys with small x the Si and Al nuclear magnetic resonances are 31.5 and 16.1 MHz, respectively. The concentration dependences of the frequencies of these resonances are linear, the Si resonance shifting to lower frequencies, the Al resonance to higher frequencies. Both the magnitudes and concentration dependences of the Si and Al internal fields are in agreement with the predictions of a simple model which Jena and Geldart, following the approach of Daniel and Friedel, have found successful in calculating the fields of sp elements in Heusler alloys. A positive sign is predicted for the Si internal field, and a negative sign for the Al field. Magnetization and lattice-parameter data required for the comparison of experiment and theory are also reported

Influence of Radiation Damage and Isochronal Annealing on the Magnetic Susceptibility of Pu1-xAmx Alloys

International Nuclear Information System (INIS)

McCall, Scott K.; Fluss, Michael J.; Chung, Brandon W.; Haire, Richard G.

2008-01-01

Results of radiation damage in Pu and Pu 1-x Am x alloys studied with magnetic susceptibility, χ(T), and resistivity are presented. Damage accumulated at low temperatures increases χ(T) for all measured alloys, with the trend generally enhanced as the lattice expands. There is a trend towards saturation observable in the damage induced magnetic susceptibility data. that is not evident in similar damage induced resistivity data taken on the same specimen. A comparison of isochronal annealing curves measured by both resistivity and magnetic susceptibility on a 4.3 at% Ga stabilized δ-Pu specimen show that Stage I annealing, where interstitials begin to move, is largely transparent to the magnetic measurement. This indicates that interstitials have little impact on the damage induced increase in the magnetic susceptibility. The isochronal annealing curves of the Pu 1-x Am x alloys do not show distinct annealing stages as expected for alloys. However, samples near 20% Am concentration show an unexpected increase in magnetization beginning when specimens are annealed to 35 K. This behavior is also reflected in a time dependent increase in the magnetic susceptibility of damaged specimens indicative of first order kinetics. These results suggest there may be a metastable phase induced by radiation damage and annealing in Pu 1-x Am x alloys. (authors)

Electronic band structure calculations for GaxIn1−xASyP1−y alloys lattice matched to InP

International Nuclear Information System (INIS)

Bechiri, A; Benmakhlouf, F; Allouache, H; Bacha, S; Bouarissa, N

2012-01-01

A pseudopotential formalism coupled with the virtual crystal approximation are applied to study the effect of compositional disorder upon electronic band structure of cubic Ga x In 1−x As y P 1−y quarternary alloys lattice matched to InP. The effects of compositional variations are properly included in the calculations. Very good agreement is obtained between the calculated values and the available experimental data for the lattice–matched alloy to InP. The absorption at the fundamental optical gaps is found to be direct within a whole range of the y composition whatever the lattice-matching to the substrate of interest. The alloy system Ga x In 1−x As y P 1−y lattice matched to InP is suggested to be suitable for an efficient light emitting device (ELED) material.

Electrochemical oxidation of methanol on Pt3Co bulk alloy

Directory of Open Access Journals (Sweden)

S. LJ. GOJKOVIC

2003-11-01

Full Text Available The electrochemical oxidation of methanol was investigated on a Pt3Co bulk alloy in acid solutions. Kinetic parameters such as transfer coefficient, reaction orders with respect to methanol and H+ ions and energy of activation were determined. It was found that the rate of methanol oxidation is significantly diminished by rotation of the electrode. This effect was attributed to the diffusion of formaldehyde and formic acid from the electrode surface. Stirring of the electrolyte also influenced the kinetic parameters of the reaction. It was speculated that the predominant reaction pathway and rate determining step are different in the quiescent and in the stirred electrolyte. Cobalt did not show a promoting effect on the rate of methanol oxidation on the Pt3Co bulk alloy with respect to a pure Pt surface.

Corrosion Characteristics of Ti-xTa Alloys with Ta contents

International Nuclear Information System (INIS)

Kim, H. J.; Choe, H. C.

2013-01-01

The purpose of this study was to investigate corrosion characteristics of Ti-xTa alloys with Ta contents. Ti-xTa alloys used as samples (x=30, 40%) were arc-melted under argon atmosphere of 99.9% purity. Ti-xTa alloys were homogenized for 12hr at 1000 .deg. C and then water quenched. The surface characteristics of Ti-xTa alloys were investigated using optical microscopy (OM) and X-ray diffractometer (XRD). The anodic corrosion behaviors of the specimens were examined through potentiodynamic, potentiostatic and galvanostatic test in 0.9 % NaCl solution at 36.5 ± 1 .deg. C. After corrosion test, the surface characteristics of Ti-xTa alloys were investigated using OM. The microstructure of Ti-Ta alloy showed the beta structure with Ta content. The corrosion resistance of Ti alloy was improved by increasing Ta content and the corrosion morphology of Ti-Ta alloy showed that the site attacked by chloride ion decreased from the active to passive region with Ta content. Potential of Ti-40Ta alloy increased as time increased, whereas, current density of Ti-40Ta alloy decreased as time increased compared to Ti-30 alloy

Transformation of bulk alloys to oxide nanowires

Science.gov (United States)

Lei, Danni; Benson, Jim; Magasinski, Alexandre; Berdichevsky, Gene; Yushin, Gleb

2017-01-01

One dimensional (1D) nanostructures offer prospects for enhancing the electrical, thermal, and mechanical properties of a broad range of functional materials and composites, but their synthesis methods are typically elaborate and expensive. We demonstrate a direct transformation of bulk materials into nanowires under ambient conditions without the use of catalysts or any external stimuli. The nanowires form via minimization of strain energy at the boundary of a chemical reaction front. We show the transformation of multimicrometer-sized particles of aluminum or magnesium alloys into alkoxide nanowires of tunable dimensions, which are converted into oxide nanowires upon heating in air. Fabricated separators based on aluminum oxide nanowires enhanced the safety and rate capabilities of lithium-ion batteries. The reported approach allows ultralow-cost scalable synthesis of 1D materials and membranes.

Surface functionalized Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloyed nanostructure for DNA sensing

Energy Technology Data Exchange (ETDEWEB)

Ibraheam, A.S.; Voon, C.H.; Foo, K.L.; Azizah, N. [University Malaysia Perlis, Institute of Nano Electronic Engineering, Kangar, Perlis (Malaysia); Al-Douri, Y. [University of Sidi-Bel-Abbes, Physics Department, Faculty of Science, Sidi Bel-Abbes (Algeria); Gopinath, S.C.B. [University Malaysia Perlis, Institute of Nano Electronic Engineering, Kangar, Perlis (Malaysia); Universiti Malaysia Perlis, School of Bioprocess Engineering, Arau, Perlis (Malaysia); Ameri, M. [Universite Djilali Liabes de Sidi Bel-Abbes, Laboratoire Physico-Chimie des Materiaux Avances (LPCMA), Sidi Bel-Abbes (Algeria); Ibrahim, Sattar S. [University of Anbar, Chemisty Department, College of Science, Al Rumadi (Iraq)

2017-03-15

A sensing plate of extended Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloy nanostructures, fabricated on an oxidized silicon substrate by the sol-gel method, is reported in this paper. The fabricated device was characterized and analyzed via field emission-scanning electron microscopy, X-ray diffraction (XRD), and photoluminescence (PL). The XRD peaks shifted towards the lower angle side alongside increasing concentration of cadmium. The average diameter of the Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloy nanostructures falls between 21.55 and 43.12 nm, while the shift of the PL bandgap was from 1.81 eV (x = 0) to 1.72 eV (x = 1). The resulting Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloy nanostructures components were functionalized with oligonucleotides probe DNA molecules and interacted with the target, exhibiting good sensing capabilities due to its large surface-to-volume ratio. The fabrication, immobilization, and hybridization processes were analyzed via representative current-voltage (I-V) plots. Its electrical profile shows that the device is capable to distinguish biomolecules. Its high performance was evident from the linear relationship between the probe DNA from cervical cancer and the target DNA, showing its applicability for medical applications. (orig.)

Study of magnetic hardening in Sm(Co/sub 1-x/Cu/sub x/)/sub 5/ alloy

International Nuclear Information System (INIS)

Awan, M.S.; Bhatti, A.S.; Farooque, M.

2008-01-01

Magnetic hardening has been examined in the samarium (Sm), cobalt (Co) and copper (Cu) fused permanent magnets by correlating the magnetic properties with annealing temperature and microstructure of the samples. For the Sm(Co/sub 1-x/Cu/sub x/)/sub 5/ system, with various copper contents (x=0, 0.2, 0.3, 0.4 and 0.5) the shape of initial magnetization curve indicated that the magnetic hardening process involved in these types of magnets consists of domain wall pinning type. This is consistent with the microstructure studies which show the existence of nonmagnetic Cu-rich precipitates in the Co-rich matrix. Copper substituted samples were annealed in the temperature range (300 -1000) degree C for 3h under the protective atmosphere of argon (Ar) gas. Both cast and annealed samples prepared by tri-arc melting technique exhibit two-phase microstructure responsible for enhanced magnetic properties. Metallographic and surface studies were carried out using a digital optical microscope (OM). X-ray diffraction (XRD) studies confirmed that the alloys solidefied in the hexagonal crystal structure. The lattice parameters and unit cell volume increase with increasing Cu content. Scanning electron microscope (SEM) coupled with energy dispersive X-ray (EDX) was used to examine the surface morphology, compositional variations, elemental segregations, formation and effect of annealing on the different phases. Later these parameters were related to the magnetic properties. Copper-rich phase precipitates in the Co- rich matrix may serves as the pinning centers for the domain wall motion. Introduction of these pinning centers improved the magnetic hardening of the alloy. Annealing the Cu-substituted alloy further improved the magnetic properties. During annealing, diffusion of copper played the key role for enhanced magnetic properties. It was found that both Cu substitution and subsequent annealing are the dominating factors determining the magnetic properties of these magnetic

Irradiation assisted stress corrosion cracking of HTH Alloy X-750 and Alloy 625

International Nuclear Information System (INIS)

Mills, W.J.; Lebo, M.R.; Bajaj, R.; Kearns, J.J.; Hoffman, R.C.; Korinko, J.J.

1994-01-01

In-reactor testing of bolt-loaded precracked compact tension specimens was performed in 360 degree C water to determine effect of irradiation on the SCC behavior of HTH Alloy X-750 and direct aged Alloy 625. Out-of-flux and autoclave control specimens provided baseline data. Primary test variables were stress intensity factor, fluence, chemistry, processing history, prestrain. Results for the first series of experiments were presented at a previous conference. Data from two more recent experiments are compared with previous results; they confirm that high irradiation levels significantly reduce SCC resistance in HTH Alloy X-750. Heat-to-heat differences in IASCC were related to differences in boron content, with low boron heats showing improved SCC resistance. The in-reactor SCC performance of Alloy 625 was superior to that for Alloy X-750, as no cracking was observed in any Alloy 625 specimens even though they were tested at very high K 1 and fluence levels. A preliminary SCC usage model developed for Alloy X-750 indicates that in-reactor creep processes, which relax stresses but also increase crack tip strain rates, and radiolysis effects accelerate SCC. Hence, in-reactor SCC damage under high flux conditions may be more severe than that associated with postirradiation tests. In addition, preliminary mechanism studies were performed to determine the cause of IASCC In Alloy X-750

First-Principle Study of the Optical Properties of Dilute-P GaN1-xPx Alloys.

Science.gov (United States)

Borovac, Damir; Tan, Chee-Keong; Tansu, Nelson

2018-04-16

An investigation on the optical properties of dilute-P GaN 1-x P x alloys by First-Principle Density Functional Theory (DFT) methods is presented, for phosphorus (P) content varying from 0% up to 12.5%. Findings on the imaginary and real part of the dielectric function are analyzed and the results are compared with previously reported theoretical works on GaN. The complex refractive index, normal-incidence reflectivity and birefringence are presented and a difference in the refractive index in the visible regime between GaN and GaNP alloys of ~0.3 can be engineered by adding minute amounts of phosphorus, indicating strong potential for refractive index tunability. The optical properties of the GaN 1-x P x alloys indicate their strong potential for implementation in various III-nitride-based photonic waveguide applications and Distributed Bragg Reflectors (DBR).

Bulk metallic glasses and high entropy alloys for reprocessing applications

International Nuclear Information System (INIS)

Kamachi Mudali, U.; Jayaraj, J.

2016-01-01

Recent breakthroughs in materials engineering have generated complex alloys that retain a glassy state in bulk form (bulk metallic glasses or BMGs) via ingot casting. High corrosion resistance is expected for BMGs (amorphous) as they are free from defects associated with the crystalline state such as grain boundaries, dislocations and stacking faults. Compared with conventional alloys containing one or two principal elements, the recently developed HEAs are usually composed of five or more elements with equimolar or near equimolar elemental fractions, which forms single solid solution phase. These HEAs exhibit excellent microstructural stability with better mechanical, wear and corrosion resistance properties as they are essentially single phase. Reprocessing of spent fuel from the fast breeder reactor involves the use of high concentration of (11.5 M) nitric acid under boiling conditions for the dissolution of the fuel. Conventional AISI type 304LSS and nitric acid grade 304L stainless steel would undergo inter-granular corrosion under these conditions and cannot be used for the fabrication of dissolver vessel. Currently titanium is used and zirconium alloys are proposed for future dissolver applications. Thus searching for newer materials with higher corrosion resistance suggests metallic glasses and HEAs for critical components of the dissolver application. Several Zr-based glassy alloys with different microstructural states and Ni-Nb based glassy alloys and TiZrHfNbTa HEA were cast and characterized for microstructure and corrosion resistance in nitric acid medium. From these studies, factors such as the corrosive environment (nitric acid, chloride and fluoride), and the presence of passivating elements in the alloy were emphasized for better corrosion resistance of BMGs and HEA. Attempts were also made to prepare coatings of Zr-and Ni-based glassy alloys on 304LSS by laser based deposition technique and their corrosion properties were evaluated. (author)

Valence Band Structure of InAs1-xBix and InSb1-xBix Alloy Semiconductors Calculated Using Valence Band Anticrossing Model

Directory of Open Access Journals (Sweden)

D. P. Samajdar

2014-01-01

Full Text Available The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs1-xBix and InSb1-xBix alloy systems. It is found that both the heavy/light hole, and spin-orbit split E+ levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E− energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

Composition Dependence of Surface Phonon Polariton Mode in Wurtzite InxGa1−xN (0 ≤ x ≤ 1) Ternary Alloy

International Nuclear Information System (INIS)

Ng, S. S.; Hassan, Z.; Hassan, H. Abu

2008-01-01

We present a theoretical study on the composition dependence of the surface phonon polariton (SPP) mode in wurtzite structure α-In x Ga 1-x N ternary alloy over the whole composition range. The SPP modes are obtained by the theoretical simulations by means of an anisotropy model. The results reveal that the SPP mode of α-In x Ga 1-x N semiconductors exhibits one-mode behaviour. From these data, composition dependence of the SPP mode with bowing parameter of −28.9 cm −1 is theoretically obtained

Local structure in (MnS)2x(CuInS2)1-x alloys

International Nuclear Information System (INIS)

Pietnoczka, A.; Bacewicz, R.; Schorr, S.

2006-01-01

Local structure around Mn atoms in (MnS) 2x (CuInS 2 ) 1-x alloys for x≤0.09 has been determined using near-edge and extended X-ray absorption fine structure (XANES and EXAFS) measured at the Mn K-edge. We found that for the Mn concentration up to 9 at% Mn atoms substitute preferentially for indium in the chalcopyrite lattice. The Mn-S bond length is 2.43±0.015 Aa, and is about 2% shorter than the In-S bond length. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Quaternary (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys and photosensitive structures on their basis

Energy Technology Data Exchange (ETDEWEB)

Bodnar, I. V. [Belarusian State University of Informatics and Radioelectronics (Belarus); Rud, V. Yu., E-mail: rudvas.spb@gmail.com [St. Petersburg State Polytechnical University (Russian Federation); Rud, Yu. V. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation); Lozhkin, D. V. [Belarusian State University of Informatics and Radioelectronics (Belarus)

2011-07-15

Using directional crystallization of the melt of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloy, homogeneous crystals of a similar atomic composition are grown over the entire range of compositions 1 {>=} x {>=} 0. It is established that the crystals of the continuous series of quaternary alloys in the range x = 0-1 crystallize in the spinel structure and lattice parameter a linearly depends on x. It is established that it is possible to obtain In(Al)/(FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} photosensitive structures. Room-temperature spectra of relative quantum efficiency of photoconversion of the In(Al)/(FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} structures fabricated for the first time are obtained. From the analysis of these spectra, activation energies of direct and indirect band-to-band transitions for the crystals of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys are determined and the dependence of these parameters on the composition of the position-disordered phases of mentioned alloys is discussed. It is concluded that the crystals of the (FeIn{sub 2}S{sub 4}){sub x}(MnIn{sub 2}S{sub 4}){sub 1-x} alloys can be used in broadband photoconverters of optical radiation.

Effect of Al content on structure and mechanical properties of the Al{sub x}CrNbTiVZr (x = 0; 0.25; 0.5; 1) high-entropy alloys

Energy Technology Data Exchange (ETDEWEB)

Yurchenko, N.Yu. [Laboratory of Bulk Nanostructured Materials, Belgorod State University, Belgorod 308015 (Russian Federation); Stepanov, N.D., E-mail: stepanov@bsu.edu.ru [Laboratory of Bulk Nanostructured Materials, Belgorod State University, Belgorod 308015 (Russian Federation); Shaysultanov, D.G. [Laboratory of Bulk Nanostructured Materials, Belgorod State University, Belgorod 308015 (Russian Federation); Tikhonovsky, M.A. [National Science Center “Kharkov Institute of Physics and Technology”, NAS of Ukraine, Kharkov, 61108 (Ukraine); Salishchev, G.A. [Laboratory of Bulk Nanostructured Materials, Belgorod State University, Belgorod 308015 (Russian Federation)

2016-11-15

In present study, structure and mechanical properties of the Al{sub x}CrNbTiVZr (x = 0; 0.25; 0.5; 1) high-entropy alloys after arc melting and annealing at 1200 °C for 24 h are investigated. The CrNbTiVZr alloy is composed of body centered cubic (bcc) and C15 (face centered cubic) Laves phases while the Al{sub x}CrNbTiVZr (x = 0.25; 0.5; 1) alloys consist of bcc and two C14 (hexagonal close packed) Laves phases with different chemical compositions. Thermodynamic modeling predicts existence of two phases – bcc and C15 Laves phase and broadening of single bcc phase field due to Al addition. The density of the alloys decreases with the increase of Al content. The alloys are found to be extremely brittle at room temperature and 600 °C. The alloys have high strength at temperatures of 800–1000 °C. For example, yield strength at 800 °C increases from 440 MPa for the CrNbTiVZr alloy to 1250 MPa for the AlCrNbTiVZr alloy. The experimental phase composition of the Al{sub x}CrNbTiVZr alloys is compared with predicted equilibrium phases and the factors governing the transformation of C15 to C14 Laves phases due to Al addition to the CrNbTiVZr alloy analyzed. Specific properties of the alloys are compared with other high-entropy alloys and commercial Ni-based superalloys. - Highlights: •Al{sub x}CrNbTiVZr (x = 0; 0.25; 0.5; 1) alloys are arc melted and annealed at 1200 °C. •The CrNbTiVZr alloy has bcc and C15 Laves phases. •The Al-containing alloys are composed of bcc and two C14 Laves phases. •The alloys demonstrate high specific strength at temperatures of 800 °C and 1000 °C. •The strength of the alloys increases in proportion with increase of Al content.

The (CuGaSe{sub 2}){sub 1-x}(MgSe){sub x} alloy system (0{<=}x{<=}0.5): X-ray diffraction, energy dispersive spectrometry and differential thermal analysis

Energy Technology Data Exchange (ETDEWEB)

Grima Gallardo, P.; Munoz, M.; Ruiz, J. [Centro de Estudios en Semiconductores (C.E.S.), Dpto. Fisica, Fac. Ciencias, La Hechicera, Merida (Venezuela); Delgado, G.E. [Laboratorio de Cristalografia, Dpto. Quimica, Fac. Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Briceno, J.M. [Laboratorio de Analisis Quimico y Estructural (LAQUEM), Dpto. Fisica, Fac. Ciencias, La Hechicera, Merida (Venezuela)

2004-07-01

The (CuGaSe{sub 2}){sub 1-x}(MgSe){sub x} alloy system (0<x{<=}0.5) was investigated using X-ray powder diffraction, energy dispersion spectrometry and differential thermal analysis. The solubility of MgSe in CuGaSe{sub 2} was found to be nearly complete for all the compositions studied, although traces of MgSe appear as a secondary phase at x{>=}0.15. All the alloys showed the chalcopyrite structure and the lattice parameters of the unit cell do not follow a linear behavior but showed a soft local maximum at x {proportional_to} 0.15. In the single-phase field, the increasing behavior of the lattice parameters can be reproduced using an extension for quaternary alloys of Jaffe and Zunger's model for chalcopyrites. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

Energy Technology Data Exchange (ETDEWEB)

Lollobrigida, V. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F. [Istituto Nazionale di Ricerca Metrologica (INRIM), I-10135 Torino (Italy); Borgatti, F. [CNR, Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), I-40129 Bologna (Italy); Torelli, P.; Panaccione, G. [CNR, Istituto Officina dei Materiali (IOM), Lab. TASC, I-34149 Trieste (Italy); Tortora, L. [Laboratorio di Analisi di Superficie, Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Ingegneria Meccanica, Università Tor Vergata, I-00133 Rome (Italy); Stefani, G.; Offi, F. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy)

2014-05-28

We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

Science.gov (United States)

Lollobrigida, V.; Basso, V.; Borgatti, F.; Torelli, P.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Tortora, L.; Stefani, G.; Panaccione, G.; Offi, F.

2014-05-01

We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

International Nuclear Information System (INIS)

Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.

2014-01-01

We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

Rapid Synthesis of Highly Monodisperse Au x Ag 1− x Alloy Nanoparticles via a Half-Seeding Approach

KAUST Repository

Chng, Ting Ting

2011-05-03

Gold-silver alloy AuxAg1-x is an important class of functional materials promising new applications across a wide array of technological fields. In this paper, we report a fast and facile synthetic protocol for preparation of highly monodisperse AuxAg1-x alloy nanoparticles in the size range of 3-6 nm. The precursors employed in this work are M(I)-alkanethiolates (M = Au and Ag), which can be easily prepared by mixing common chemicals such as HAuCl4 or AgNO3 with alkanethiols at room temperature. In this half-seeding approach, one of the M(I)-alkanethiolates is first heated and reduced in oleylamine solvent, and freshly formed metal clusters will then act as premature seeds on which both the first and second metals (from M(I)-alkanethiolates, M = Au and Ag) can grow accordingly without additional nucleation and thus achieve high monodispersity for product alloy nanoparticles. Unlike in other prevailing methods, both Au and Ag elements present in these solid precursors are in the same monovalent state and have identical supramolecular structures, which may lead to a more homogeneous reduction and complete interdiffusion at elevated reaction temperatures. When the M(I)-alkanethiolates are reduced to metallic forms, the detached alkanethiolate ligands will serve as capping agent to control the growth. More importantly, composition, particle size, and optical properties of AuxAg1-x alloy nanoparticles can be conveniently tuned with this approach. The optical limiting properties of the prepared particles have also been investigated at 532 and 1064 nm using 7 ns laser pulses, which reveals that the as-prepared alloy nanoparticles exhibit outstanding broadband optical limiting properties with low thresholds. © 2011 American Chemical Society.

Epitaxial alloys of Al{sub x}Ga{sub 1−x}As:Mg with different types of conductivity

Energy Technology Data Exchange (ETDEWEB)

Seredin, P.V., E-mail: paul@phys.vsu.ru [Voronezh State University, Universitetskaya pl., 1, 394006 Voronezh (Russian Federation); Lenshin, A.S. [Voronezh State University, Universitetskaya pl., 1, 394006 Voronezh (Russian Federation); Arsentyev, I.N., E-mail: arsentyev@mail.ioffe.ru [Ioffe Physical and Technical Institute, Polytekhnicheskaya, 26, 194021 St-Petersburg (Russian Federation); Tarasov, I.S. [Ioffe Physical and Technical Institute, Polytekhnicheskaya, 26, 194021 St-Petersburg (Russian Federation); Prutskij, Tatiana, E-mail: prutskij@yahoo.com [Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, Privada 17 Norte, No 3417, Col San Miguel Hueyotlipan, 72050 Puebla, Pue. (Mexico); Leiste, Harald; Rinke, Monika [Karlsruhe Nano Micro Facility, H.-von-Helmholtz-Platz, 1, 76344 Eggenstein-Leopoldshafen (Germany)

2016-10-01

This project employed high-resolution X-ray diffraction, Raman spectroscopy and photoluminescence spectroscopy to investigate the structural, optical and band energy properties of the MOCVD epitaxial heterostructures, Al{sub x}Ga{sub 1−x}As:Mg/GaAs(100), with different levels of magnesium doping. It was shown that the choice of technological conditions used in the preparation of the Al{sub x}Ga{sub 1−x}As:Mg alloy allowed different types of conductivity and it was also possible to achieve significantly different concentrations of the charge carriers in the epitaxial film.

Growth of In x Ga1-x Sb alloy semiconductor at the International Space Station (ISS) and comparison with terrestrial experiments.

Science.gov (United States)

Inatomi, Y; Sakata, K; Arivanandhan, M; Rajesh, G; Nirmal Kumar, V; Koyama, T; Momose, Y; Ozawa, T; Okano, Y; Hayakawa, Y

2015-01-01

In x Ga 1- x Sb is an important material that has tunable properties in the infrared (IR) region and is suitable for IR-device applications. Since the quality of crystals relies on growth conditions, the growth process of alloy semiconductors can be examined better under microgravity (μG) conditions where convection is suppressed. To investigate the dissolution and growth process of In x Ga 1- x Sb alloy semiconductors via a sandwiched structure of GaSb(seed)/InSb/GaSb(feed) under normal and μG conditions. In x Ga 1- x Sb crystals were grown at the International Space Station (ISS) under μG conditions, and a similar experiment was conducted under terrestrial conditions (1G) using the vertical gradient freezing (VGF) method. The grown crystals were cut along the growth direction and its growth properties were studied. The indium composition and growth rate of grown crystals were calculated. The shape of the growth interface was nearly flat under μG, whereas under 1G, it was highly concave with the initial seed interface being nearly flat and having facets at the peripheries. The quality of the μG crystals was better than that of the 1G samples, as the etch pit density was low in the μG sample. The growth rate was higher under μG compared with 1G. Moreover, the growth started at the peripheries under 1G, whereas it started throughout the seed interface under μG. Kinetics played a dominant role under 1G. The suppressed convection under μG affected the dissolution and growth process of the In x Ga 1- x Sb alloy semiconductor.

The system study of 1:13 phase formation, the magnetic transition adjustment, and magnetocaloric property in La(Fe,Co){sub 13−x}Si{sub x} alloys

Energy Technology Data Exchange (ETDEWEB)

Chen, Xiang, E-mail: gxucx@163.com [School of Materials Science and Engineering, Sichuan University, Chengdu 610065 (China); Department of Physics and Electronic Informational Engineering, Neijiang Teachers College, Neijiang 641002 (China); Chen, Yungui, E-mail: ygchen60@yahoo.com.cn [School of Materials Science and Engineering, Sichuan University, Chengdu 610065 (China); Tang, Yongbo; Xiao, Dingquan [School of Materials Science and Engineering, Sichuan University, Chengdu 610065 (China)

2014-11-15

The effects of Co on the formation of NaZn{sub 13}-type phase in as-cast and annealed LaFe{sub 16−x}Co{sub x}Si{sub 1.4} and LaFe{sub 11.6}Si{sub 1.4−x}Co{sub x} alloys have been investigated systematically by XRD, SEM, and EDS, respectively. In LaFe{sub 11.6}Si{sub 1.4−x}Co{sub x} alloys, the introduction of Co will hamper the formation of 1:13 and LaFeSi phases, and help the formation of αof (Co, Si) solid solution, so there is almost only α-Fe(Co, Si) solid solution when x reaches 0.7 in as-cast and annealed LaFe{sub 11.6}Si{sub 1.4−x}Co{sub x} alloys. Although the amounts of 1:13 phase increases when x reaches 0.7 in as-cast LaFe{sub 16−x}Co{sub x}Si{sub 1.4} alloys, there is a small amount of α-Fe in LaFe{sub 11.6−x}Co{sub x}Si{sub 1.4} alloys annealed at 1523 K (5 h), which indicates that the annealing time for obtaining a 1:13 single-phase cannot be shortened in our high-temperature and short-time annealing. The studies on the magnetic properties show that the Curie temperature T{sub C} goes up from 207 K to 285 K with increase of Co content from x=0.1 to 0.8. The introduction of Co element weakens the first order magnetic phase transition, which results in the change of magnetic transition type from first to second order at about x=0.3–0.5. At the same time, it has effects on the phase transition temperature interval and magnetic filed interval, and the changing rate of magnetic entropy change dependence on the Co content in LaFe{sub 16−x}Co{sub x}Si{sub 1.4} alloys. The maximum entropy values of LaFe{sub 11.6−x}Co{sub x}Si{sub 1.4} alloys decrease with the increase of Co content, but the relative cooling power does not decrease, the reason of which is that the phase transition temperature interval increases and the first order phase transition character decreases, and the effective refrigeration temperature range becomes big, which is useful to the application of magnetic refrigeration material. - Highlights: • The introduction of Co

Thermoelectric properties of p-type (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} fabricated by mechanical alloying process

Energy Technology Data Exchange (ETDEWEB)

Jung, B Y; Choi, J S; Oh, T S; Hyun, D B

1997-07-01

Thermoelectric properties of polycrystalline (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} (0.75 {le} x {le} 0.85), fabricated by mechanical alloying and hot pressing methods, have been investigated. Formation of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloy powder was completed by mechanical alloying for 5 hours at ball-to-material ratio of 5:1, and processing time for (Bi{sub 1{minus}sub x}Sb{sub x}){sub 2}Te{sub 3} formation increased with Sb{sub 2}Te{sub 3} content x. When (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} was hot pressed at temperatures ranging from 300 C to 550 C for 30 minutes, figure-of-merit increased with hot pressing temperature and maximum value of 2.8 x 10{sup {minus}3}/K could be obtained by hot pressing at 550 C. When hot pressed at 550 C, (Bi{sub 0.2}Sb{sub 0.8}){sub 2}Te{sub 3} exhibited figure-of-merit of 2.92 x 10{sup {minus}3}/K, which could be improved to 2.97 x 10{sup {minus}3}/K with addition of 1 wt% Sb as acceptor dopant.

An investigation on hydrogen storage kinetics of nanocrystalline and amorphous Mg2Ni1-xCox (x = 0-0.4) alloy prepared by melt spinning

International Nuclear Information System (INIS)

Zhang Yanghuan; Li Baowei; Ren Huipin; Ding Xiaoxia; Liu Xiaogang; Chen Lele

2011-01-01

Research highlights: → The investigation of the structures of the Mg 2 Ni 1-x Co x (x = 0, 0.1, 0.2, 0.3, 0.4) alloys indicates that a nanocrystalline and amorphous structure can be obtained in the experiment alloys by melt spinning technology. The substitution of Co for Ni facilitates the glass formation in the Mg 2 Ni-type alloy. And the amorphization degree of the alloys visibly increases with increasing Co content. → Both the melt spinning and Co substitution significantly improve the hydrogen storage kinetics of the alloys. The hydrogen absorption saturation ratio (R t a ) and hydrogen desorption ratio (R t d ) as well as the high rate discharge ability (HRD) increase with rising spinning rate and Co content. The hydrogen diffusion coefficient (D), the Tafel polarization curves and the electrochemical impedance spectra (EIS) measurements show that the electrochemical kinetics notably increases with rising spinning rate and Co content. → Furthermore, all the as-spun alloys, when the spinning rate reaches to 30 m/s, have nearly same hydrogen absorption kinetics, indicating that the hydrogen absorption kinetics of the as-spun alloy is predominately controlled by diffusion ability of hydrogen atoms. - Abstract: In order to improve the hydrogen storage kinetics of the Mg 2 Ni-type alloys, Ni in the alloy was partially substituted by element Co, and melt-spinning technology was used for the preparation of the Mg 2 Ni 1-x Co x (x = 0, 0.1, 0.2, 0.3, 0.4) hydrogen storage alloys. The structures of the as-cast and spun alloys are characterized by XRD, SEM and TEM. The hydrogen absorption and desorption kinetics of the alloys were measured by an automatically controlled Sieverts apparatus. The electrochemical hydrogen storage kinetics of the as-spun alloys is tested by an automatic galvanostatic system. The hydrogen diffusion coefficients in the alloys are calculated by virtue of potential-step method. The electrochemical impedance spectrums (EIS) and the Tafel

Consolidation processing parameters and alternative processing methods for powder metallurgy Al-Cu-Mg-X-X alloys

Science.gov (United States)

Sankaran, K. K.

1987-01-01

The effects of varying the vacuum degassing parameters on the microstructure and properties of Al-4Cu-1Mg-X-X (X-X = 1.5Li-0.2Zr or 1.5Fe-0.75Ce) alloys processed from either prealloyed (PA) or mechanically alloyed (M) powder, and consolidated by either using sealed aluminum containers or containerless vacuum hot pressing were studied. The consolidated billets were hot extruded to evaluate microstructure and properties. The MA Li-containing alloy did not include Zr, and the MA Fe- and Ce-containing alloy was made from both elemental and partially prealloyed powder. The alloys were vacuum degassed both above and below the solution heat treatment temperature. While vacuum degassing lowered the hydrogen content of these alloys, the range over which the vacuum degassing parameters were varied was not large enough to cause significant changes in degassing efficiency, and the observed variations in the mechanical properties of the heat treated alloys were attributed to varying contributions to strengthening by the sub-structure and the dispersoids. Mechanical alloying increased the strength over that of alloys of similar composition made from PA powder. The inferior properties in the transverse orientation, especially in the Li-containing alloys, suggested deficiencies in degassing. Among all of the alloys processed for this study, the Fe- and Ce-containing alloys made from MA powder possessed better combinations of strength and toughness.

Effect of external magnetic field on the Kβ/Kα X-ray intensity ratios of TixNi1-x alloys excited by 59.54 and 22.69keV photons.

Science.gov (United States)

Perişanoğlu, Ufuk; Alım, Bünyamin; Uğurlu, Mine; Demir, Lütfü

2016-09-01

The effects of external magnetic field and exciting photon energies on the Kβ/Kα X-ray intensity ratios of various alloy compositions of Ti-Ni transition metal alloys have been investigated in this work using X-ray fluorescence spectroscopy. The spectrum of characteristic K-X-ray photons from pure Ti, pure Ni and TixNi1-x (x=0.30; 0.40; 0.50; 0.60; 0.70) alloys were detected with a high resolution Si (Li) solid-state detector. Firstly, Kβ/Kα X-ray intensity ratios of pure Ti, pure Ni and TixNi1-x alloys were measured following excitation by 59.54keV γ-rays from a 200mCi (241)Am radioactive point source without any magnetic field and under 0.5 and 1T external magnetic fields, separately. Later, the same measurements were repeated under the same experimental conditions for 22.69keV X-rays from a 370 MBq(1)(0)(9)Cd radioactive point source. The results obtained for Kβ/Kα X-ray intensity ratios of pure Ti, pure Ni, Ti and Ni in various Ti-Ni alloys were evaluated in terms of both external magnetic field effect and exciting photon energy effect. When the results obtained for both exciting photon energies are evaluated in terms of changing of Kβ/Kα X-ray intensity ratios depending on the alloy composition, the tendency of these changes are observed to be similar. Also, Kβ/Kα X-ray intensity ratios for all samples examined have changed with increasing external magnetic field. Therefore, the results obtained have shown that Kβ/Kα X-ray intensity ratios of Ti and Ni in TixNi1-x alloys are connected with the external magnetic field. The present study makes it possible to perform reliable interpretation of experimental Kβ/Kα X-ray intensity ratios for Ti, Ni and TixNi1-x alloys and can also provide quantitative information about the changes of the Kβ/Kα X-ray intensity ratios of these metals with alloy composition. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875}

Directory of Open Access Journals (Sweden)

R. Golsorkhtabar

2007-03-01

Full Text Available  We investigated the structural, magnetic and electronic properties of NixCr1-x alloy in the range 0.125≤ x ≤0.875 by using FP-LAPW method to solve Kohn-Sham equations. In structural study, we calculated the formation energy, lattice parameter and bulk modulus for bcc and fcc structures within ferromagnetic, ferromagnetic and paramagnetic phases. Our results indicate that the system preference for alloy formation is higher in the range of x=0.625 – 0.75 compared to other studied concentrations. Moreover, by investigation of the values obtained for the lattice parameter and bulk modulus we found out that Cr-Ni bond is weaker than Ni-Ni and Cr-Cr bonds. Additionally, our magnetic results indicate that the magnetic interactions among atoms in bcc structures have probably RKKY behavior. Finally, our results show that the Ni0.75Cr0.25 alloy with fcc structure ans spin polarization of 90% has the highest magnetic and structural stability.

Lattice vibrations study of Ga{sub 1-x}In{sub x}As{sub y}Sb{sub 1-y} quaternary alloys with low (In, As) content grown by liquid phase epitaxy

Energy Technology Data Exchange (ETDEWEB)

Olvera-Herandez, J [Centro de Investigacion en Dispositivos Semiconductores (CIDS), BUAP, Puebla, Pue. 72570 (Mexico); Olvera-Cervantes, J [Centro de Investigacion en Dispositivos Semiconductores (CIDS), BUAP, Puebla, Pue. 72570 (Mexico); Rojas-Lopez, M [Centro de Investigacion en BiotecnologIa Aplicada (CIBA), IPN, Tlaxcala, Tlax. 72160 (Mexico); Navarro-Contreras, H [Instituto de Investigacion en Comunicacion Optica (IICO), UASLP, 78100, San Luis PotosI, S.L.P. (Mexico); Vidal, M A [Instituto de Investigacion en Comunicacion Optica (IICO), UASLP, 78100, San Luis PotosI, S.L.P. (Mexico); Anda, F de [Instituto de Investigacion en Comunicacion Optica (IICO), UASLP, 78100, San Luis PotosI, S.L.P. (Mexico)

2006-01-01

Raman scattering spectroscopy was used to measure and analyze the lattice vibrations in some quaternary Ga{sub 1-x}In{sub x}As{sub y}Sb{sub 1-y} alloys with low (In, As) contents (0.03 <x< 0.12 and 0.03 X-Ray Diffraction results showed profiles associated with a quaternary layer lattice matched to the GaSb substrate as obtained from the (004) reflection. The experimental diffractograms were simulated to estimate alloy composition, thickness and lattice mismatch of the layer. Raman scattering results show phonon frequencies associated to the TO and LO GaAs-like modes as well as GaSb + InAs-like mode, which are characteristic of this quaternary alloy. The As content dependence of the phonon frequency measured in this alloy for low (In, As) contents agree well with the modified Random-Element Isodisplacement (REI) model and also with other available experimental reports. This method can also be used to estimate alloy compositions for this kind of quaternary alloys.

Study of oxidation behaviour of Zr-based bulk amorphous alloy Zr 65 ...

Indian Academy of Sciences (India)

The oxidation behaviour of Zr-based bulk amorphous alloy Zr65Cu17.5Ni10Al7.5 has been studied in air environment at various temperatures in the temperature range 591–684 K using a thermogravimetric analyser (TGA). The oxidation kinetics of the alloy in the amorphous phase obeys the parabolic rate law for oxidation ...

Study of Ni50+xMn25Ga25-x (x = 2-11) as high-temperature shape-memory alloys

International Nuclear Information System (INIS)

Ma Yunqing; Jiang Chengbao; Li Yan; Xu Huibin; Wang Cuiping; Liu Xingjun

2007-01-01

Ni 50+x Mn 25 Ga 25-x (x = 2-11) alloys were studied as high-temperature shape-memory alloys, with regard to their microstructure, martensitic transformation behavior and high-temperature shape-memory effect. Single phase of martensite with tetragonal structure was present for x p increase monotonically from 39.1 deg. C for x = 2 to 443.8 deg. C for x = 7, then remain almost constant at 440 deg. C for x ≥ 7. The shape-memory strains of the alloys decreased gradually from 6.1% for x = 4 to 2.8% for x = 8 and 0% for x = 11 under the same pre-strain. The variations of the martensitic transformation temperatures and the shape-memory effects with Ni contents correlate with changes in size factor, electron concentration and precipitation of γ phase

Creep-rupture behavior of 2-1/4 Cr-1 Mo steel, Alloy 800H and Hastelloy Alloy X in a simulated HTGR helium environment

International Nuclear Information System (INIS)

Lai, G.Y.; Wolwowicz, R.J.

1979-12-01

Creep-rupture testing was conducted on 1 1/4 Cr-1 Mo steel, Alloy 800H and Hastelloy Alloy X in flowing helium containing nominal concentration of following gases: 1500 μatm H 2 , 450 μatm CO, 50 μatm CH 4 , 50 μatm H 2 O and 5 μatm CO 2 . This environment is believed to represent maximum permissible levels of impurities in the primary coolant for the steam-cycle system of a high-temperature gas-cooled reactor (HTGR) when it is operating continuously with a water and/or steam leak at technical specification limits. Two or three heats of material for each alloy were investigated. Tests were conducted at 482 0 C and 760 0 C (1200 0 F and 1400 0 F) for Alloy 800H, and at 760 0 C and 871 0 C (1400 0 F and 1600 0 F) for Hastelloy Alloy X for times up to 10,000 h. Selected tests were performed on same heat of material in both air and helium environments to make a direct comparison of creep-rupture behaviors between two environments. Metallurgical evaluation was performed on selected post test specimens with respect to gas-metal interactions which included oxidation, carburization and/or decarburization. Correlation between gaseous corrosion and creep-rupture behavior was attempted. Limited tests were also performed to investigate the specimen size effects on creep-rupture behavior in the helium environment

Theoretical investigation of the structural, electronic, and thermodynamic properties of CdS1-xSex alloys

Science.gov (United States)

Long, Debing; Li, Mingkai; Meng, Dongxue; Ahuja, Rajeev; He, Yunbin

2018-03-01

In this work, the structural, electronic, and thermodynamic properties of wurtzite (WZ) and zincblende (ZB) CdS1-xSex alloys are investigated using the density functional theory (DFT) and the cluster expansion method. A special quasirandom structure containing 16 atoms is constructed to calculate the band structures of random alloys. The band gaps of CdS1-xSex alloys are direct and decrease as the Se content increases. The delta self-consistent-field method is applied to correct band gaps that are underestimated by DFT. The band offsets clearly reflect the variation in valence band maxima and conduction band minima, thus providing information useful to the design of relevant quantum well structures. The positive formation enthalpies of both phases imply that CdS1-xSex is an immiscible system and tends to phase separate. The influence of lattice vibrations on the phase diagram is investigated by calculating the phonon density of states. Lattice vibration effects can reduce the critical temperature Tc and increase alloy solid solubilities. This influence is especially significant in the ZB structure. When only chemical interactions are present, the Tc values for WZ- and ZB-CdS1-xSex are 260 K and 249 K, respectively. The lattice vibration enthalpy and entropy lower the Tc to 255 K and 233 K, respectively.

Alloying Behavior and Properties of FeSiBAlNiCo x High Entropy Alloys Fabricated by Mechanical Alloying and Spark Plasma Sintering

Science.gov (United States)

Wang, Wen; Li, Boyu; Zhai, Sicheng; Xu, Juan; Niu, Zuozhe; Xu, Jing; Wang, Yan

2018-02-01

In this paper, FeSiBAlNiCo x (x = 0.2, 0.8) high-entropy alloy (HEA) powders were fabricated by mechanical alloying process, and the powders milled for 140 h were sintered by spark plasma sintering (SPS) technique. The microstructures and properties of as-milled powders and as-sintered samples were investigated. The results reveal that the final milling products (140 h) of both sample powders present the fully amorphous structure. The increased Co contents obviously enhance the glass forming ability and thermal stability of amorphous HEA powders, which are reflected by the shorter formation time of fully amorphous phase and the higher onset crystallization temperature, respectively. According to coercivity, the as-milled FeSiBAlNiCo x (x = 0.2, 0.8) powders (140 h) are the semi-hard magnetic materials. FeSiBAlNiCo0.8 HEA powders possess the highest saturation magnetization and largest remanence ratio. The SPS-ed products of both bulk HEAs are composed of body-centered cubic solid solution, and FeSi and FeB intermetallic phases. They possess the high relative density above 97% and excellent microhardness exceeding 1150 HV. The as-sintered bulks undergo the remarkable increase in saturation magnetization compared with the as-milled state. The SPS-ed FeSiBAlNiCo0.8 HEA exhibits the soft magnetic properties. The electrochemical corrosion test is carried out in 3.5% NaCl solution. The SPS-ed FeSiBAlNiCo0.2 HEA reveals the better passivity with low passive current density, and the higher pitting resistance with wide passive region.

Structural and electronic properties of ScxAl1−xN: First principles study

International Nuclear Information System (INIS)

Berkok, Houria; Tebboune, Abdelghani; Saim, Asmaa; Belbachir, Ahmed H

2013-01-01

The structural and electronic properties of Sc x Al 1−x N ternary semiconductor alloys are investigated in the rocksalt, zinc blend and wurtzite structures using the full potential linear muffin tin orbitals (FP-LMTO) method. The local density approximation (LDA) was used for the exchange and correlation energy density functional. In particular, the lattice constant, bulk modulus and band gap energies of ScN and AlN compounds and their ternary alloys Sc x Al 1−x N are calculated in rocksalt, zinc blend and wurtzite structures and discussed. A linear relationship has obtained for equilibrium lattice constants versus Sc concentration for rocksalt and zinc blend structures. The band gap is decreased with the increasing of Sc concentration in the rocksalt phase. For ZB-Sc x Al 1−x N, the band gap is the largest one at x=0.25 and changes from indirect to direct when x is more than 0.25

On the position of local levels of defects in proton-irradiated Pb1-xSnxTe alloys

International Nuclear Information System (INIS)

Brandt, N.B.; Gas'kov, A.M.; Ladygin, E.A.; Skipetrov, E.P.; Khorosh, A.G.

1989-01-01

Effect of fast proton irradiation (T≅300 K, E=200 keV, F≤2x10 14 cm -2 ) on electrophysical properties of thin layers p-Pb 1-x Sn x Te (0.17 ≤x≤ 0.26) is investigated. Saturation of radiation flux dependences of hole density due to occurrence of a resonance level under irradiation, which is near the ceiling of the valence band of alloys, and due to stabilization of the Fermi level with the resonance level is detected. Possibility of coordination of novadays data on the position of the levels of radiation defects in alloys Pb 1-x Sn x Te is discussed

Collective effects of interface roughness and alloy disorder in InxGa1-xN/GaN multiple quantum wells

International Nuclear Information System (INIS)

Zeng, K.C.; Smith, M.; Lin, J.Y.; Jiang, H.X.

1998-01-01

The collective effects of alloy disorder and interface roughness on optical properties of In x Ga 1-x N/GaN multiple quantum wells (MQWs) have been studied. The results are compared with those of GaN/AlGaN MQWs and InGaN epilayers. In x Ga 1-x N/GaN MQWs emit a broad and asymmetrical photoluminescence (PL) band, while GaN/AlGaN MQWs and InGaN epilayers emit narrower and Gaussian-shaped PL bands. Furthermore, the decay of excitons at low temperatures in In x Ga 1-x N/GaN MQWs follows a nonexponential function even at the lower-energy side of the PL spectral peak, while those in GaN/AlGaN MQWs and in InGaN epilayers follow a single exponential function. Both alloy disorder and interface roughness have to be included in order to interpret the PL emission spectrum and the decay dynamics in In x Ga 1-x N/GaN MQWs. Important parameters of the In x Ga 1-x N/GaN MQWs, σ x ,σ L , and dτ/dL, denoting the alloy disorder, the interface roughness, and the rate of changing of the exciton decay lifetime with well width, respectively, have been deduced. The method developed here can be used to determine σ x ,σ L , and dτ/dL in any MQW systems with wells being alloy materials. copyright 1998 American Institute of Physics

Microhardness of the YbxY1-xInCu4 alloy system: the of electronic structure on hardness

International Nuclear Information System (INIS)

Ocko, M; Sarrao, J L; Stubicar, N; Aviani, I; Simek, Z; Stubicar, M

2003-01-01

We show that the Vickers microhardness, measured on flux grown single crystals of the Yb x Y 1-x InCu 4 alloy system, although sample dependent, exhibits clear concentration dependence; it increases with decreasing x. Such a dependence is not expected because the cubic lattice parameter increases with decreasing x and one expects then a decrease of hardness with decreasing x. Also, such a concentration dependence is in accordance with neither the Mott-Nabarro theory nor other known experimental results. We ascribe the observed dependence to the change of the electronic structure of the Yb x Y 1-x InCu 4 alloy system with x

First-principles investigations on structural, elastic and mechanical properties of BNxAs1‑x ternary alloys

Science.gov (United States)

Zhang, Junqin; Ma, Huihui; Zhao, Bin; Wei, Qun; Yang, Yintang

2018-05-01

A systematic investigation of the structural optimization, elastic and mechanical properties of the BNxAs1‑x ternary alloys are reported in the present work using the density-functional theory with the generalized gradient approximation (GGA) of the exchange-correlation functional. Some of the constants which are used to analyze the properties including elastic constants and modulus, and some parameters describing the elastic anisotropy and Debye temperature are also calculated. Our calculations were performed to evaluate the equilibrium lattice constant and band structure compared with the available theoretical works. On the one hand, our results might be expected to provide a theoretical basis for future study of BNxAs1‑x alloys towards elastic or mechanical properties. On the other hand, we draw a conclusion that BNxAs1‑x alloys show direct bandgap when x equals 0.25, 0.5 or 0.75. We obtained the elastic modulus, Poisson’s ratio and universal anisotropic index which are used to demonstrate the elastic anisotropy of these alloys which is proved according to our calculations. Also, we calculated the Debye temperature to illustrate covalent interactions and obtained the lower limit of the thermal conductivity for further research.

Fe-based bulk amorphous alloys with iron contents as high as 82 at%

Energy Technology Data Exchange (ETDEWEB)

Li, Jin-Feng; Liu, Xue; Zhao, Shao-Fan; Ding, Hong-Yu [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Yao, Ke-Fu, E-mail: kfyao@tsinghua.edu.cn [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)

2015-07-15

Fe-based bulk amorphous alloys (BAAs) with high Fe contents are advantageous due to their high saturation magnetization and low cost. However, preparing Fe-based BAAs with Fe contents higher than 80 at% is difficult due to their poor glass forming abilities (GFA). In this study, an Fe{sub 81}P{sub 8.5}C{sub 5.5}B{sub 2}Si{sub 3} BAA with a diameter of 1 mm and a saturation magnetization of 1.56 T was successfully prepared using the fluxing and copper mold casting methods. In addition, by introducing a small amount of elemental Mo to the alloy, an Fe{sub 82}Mo{sub 1}P{sub 6.5}C{sub 5.5}B{sub 2}Si{sub 3} BAA rod with a diameter of 1 mm, a high saturation magnetization of 1.59 T, a high yield stress of 3265 MPa, and a clear plasticity of 1.3% was prepared in the same way. The cost effectiveness and good magnetic properties of these newly-developed Fe-based BAAs with Fe contents as high as 82 at% would be advantageous and promising for industrial applications. - Highlights: • Novel Fe-based BAA with no other metallic element except 81 at% Fe was prepared. • Fe-based bulk amorphous alloy (BAA) with the highest Fe content (82%) was prepared. • Very high saturation magnetization of 1.59 T has been achieved. • A new thought for designing Fe-based BAA with high Fe content was provided.

Electrochemical and metallurgical characterization of ZrCr{sub 1-x}NiMo{sub x} AB{sub 2} metal hydride alloys

Energy Technology Data Exchange (ETDEWEB)

Erika, Teliz [Universidad de la República, Facultad de Ciencias, Laboratorio de Electroquímica Fundamental, Núcleo Interdisciplinario Ingeniería Electroquímica, Igua 4225, CP 11400 Montevideo (Uruguay); Ricardo, Faccio [Universidad de la República, Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Centro NanoMat, Polo Tecnológico de Pando, Espacio Interdisciplinario, Facultad de Química, Montevideo (Uruguay); Fabricio, Ruiz [Consejo Nacional de Investigaciones Científicas y Técnicas , CONICET, Av. Rivadavia 1917, C1033AAJ Ciudad de Buenos Aires (Argentina); Centro Atómico Bariloche , Comisión Nacional de Energía Atómica (CAB-CNEA), Av. Bustillo 9500, CP 8400 S.C. de Bariloche, RN (Argentina); Fernando, Zinola [Universidad de la República, Facultad de Ciencias, Laboratorio de Electroquímica Fundamental, Núcleo Interdisciplinario Ingeniería Electroquímica, Igua 4225, CP 11400 Montevideo (Uruguay); and others

2015-11-15

The effects of partial replacement of chromium by molybdenum was studied on the structure and electrochemical kinetic properties of ZrCr{sub 1-x}NiMo{sub x}(x = 0.0, 0.3 and 0.6) metal hydride alloys. The arc-melting prepared alloys were metallurgically characterized by X-ray diffraction and energy dispersive spectroscopy microanalysis, which showed AB{sub 2} (with hexagonal C14 structure) and Zr{sub x}Ni{sub y} (Zr{sub 7}Ni{sub 10}, Zr{sub 9}Ni{sub 11}) phases. After a partial substitution of chromium by molybdenum, secondary phases monotonically increase with the C14 unit cell volume indicating that most of molybdenum atoms locate in the B-site. The alloys were electrochemically characterized using charge/discharge cycling, electrochemical impedance spectroscopy and rate capability experiments that allowed the determination of hydriding reaction kinetic parameters. The presence of molybdenum produces a positive effect for hydrogen diffusion in the alloy lattice, and ZrCr{sub 0.7}NiMo{sub 0.3} alloy depicts the better kinetics associated with a fast activation, lower charge transfer resistance and the best high rate discharge behavior. This fact would be related to a lower diffusion time constant and a bigger value of the product between exchange density current and surface active area. There is a trade-off in the amounts of secondary phase and Laves phases in order to improve the kinetic performance. - Highlights: • Metallurgical characterization evidences the presence of Zr{sub x}Ni{sub y} and C14 phases. • The partial replacement of Cr by Mo promotes the segregation of Zr{sub x}Ni{sub y} phase. • The incorporation of molybdenum improves the kinetics for the hydriding process. • Mo produces a decrease in the diffusion time constant.

Effect of Mo-Fe substitution on glass forming ability, thermal stability, and hardness of Fe-C-B-Mo-Cr-W bulk amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Khalifa, Hesham E.; Cheney, Justin L. [University of California, San Diego Materials Science and Engineering Program, 9500 Gilman Drive, La Jolla, CA 92093-0411 (United States); Vecchio, Kenneth S. [University of California, San Diego Department of NanoEngineering, 9500 Gilman Drive, La Jolla, CA 92093-0411 (United States)], E-mail: kvecchio@ucsd.edu

2008-08-25

Amorphous Fe{sub 67-x}C{sub 10}B{sub 9}Mo{sub 7+x}Cr{sub 4}W{sub 3} (x = 1-7 at.%) plates with 640 {mu}m thickness were prepared by copper mold casting. The thermal properties and microstructural development during heat treatments were investigated by a combination of differential scanning calorimetry (DSC), differential thermal analysis, and X-ray diffractometry (XRD). The glass forming ability (GFA) and activation energy for crystallization have a distinct dependence on Mo content. Fe{sub 62}C{sub 10}B{sub 9}Mo{sub 12}Cr{sub 4}W{sub 3} is the best glass former in this study, demonstrating a supercooled liquid region, {delta}T{sub x} = 51 K, and an activation energy for crystallization, Q = 453 kJ/mol. The GFA of alloys in this system was governed by elastic strain optimization resulting directly from the variation in Mo content. Heat treatments were performed to demonstrate resistance to crystallization under typical processing conditions. Alloys in this system exhibited a three-phase evolution during crystallization. A second set of heat treatments was performed to identify each phase. Hardness data was collected at each of the heat treatment conditions, and a bulk metallic glasses (BMG)-derived composite containing a Mo-rich phase exhibited Vickers Hardness in excess of 2000. The fully amorphous alloys had an average hardness approaching 1500.

EFFECT OF THE TEMPERATURE ON THE FRICTION AND WEAR PROPERTIES OF BULK AMORPHOUS ALLOY

OpenAIRE

DAWIT ZENEBE SEGU; PYUNG HWANG; SEOCK-SAM KIM

2014-01-01

The present paper report the results of an experimental investigation of the temperature effect on the sliding friction and wear properties of the bulk metallic glass (BMG). To improve the friction and wear properties of the BMG, the disk specimens were developed in the alloy system of Fe67.6C7.1Si3.3B5.5P8.7Cr2.3Mo2.6Al2Co1.0 using hot metal and industrial ferro-alloys. The friction and wear test was performed using flat-on-flat contact configuration of unidirectional tribometer and Si3N4 ce...

Time-resolved x-ray diffraction techniques for bulk polycrystalline materials under dynamic loading

Energy Technology Data Exchange (ETDEWEB)

Lambert, P. K.; Hustedt, C. J.; Zhao, M.; Ananiadis, A. G.; Hufnagel, T. C. [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Vecchio, K. S. [Department of NanoEngineering, University of California San Diego, La Jolla, California 92093 (United States); Huskins, E. L. [Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee 37830 (United States); US Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, Maryland 21005 (United States); Casem, D. T. [US Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, Maryland 21005 (United States); Gruner, S. M. [Department of Physics, Cornell University, Ithaca, New York 14853 (United States); Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, New York 14853 (United States); Kavli Institute at Cornell for Nanoscale Science, Cornell University, Ithaca, New York 14853 (United States); Tate, M. W.; Philipp, H. T.; Purohit, P.; Weiss, J. T. [Department of Physics, Cornell University, Ithaca, New York 14853 (United States); Woll, A. R. [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, New York 14853 (United States); Kannan, V.; Ramesh, K. T. [Department of Mechanical Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Kenesei, P.; Okasinski, J. S.; Almer, J. [X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2014-09-15

We have developed two techniques for time-resolved x-ray diffraction from bulk polycrystalline materials during dynamic loading. In the first technique, we synchronize a fast detector with loading of samples at strain rates of ∼10{sup 3}–10{sup 4} s{sup −1} in a compression Kolsky bar (split Hopkinson pressure bar) apparatus to obtain in situ diffraction patterns with exposures as short as 70 ns. This approach employs moderate x-ray energies (10–20 keV) and is well suited to weakly absorbing materials such as magnesium alloys. The second technique is useful for more strongly absorbing materials, and uses high-energy x-rays (86 keV) and a fast shutter synchronized with the Kolsky bar to produce short (∼40 μs) pulses timed with the arrival of the strain pulse at the specimen, recording the diffraction pattern on a large-format amorphous silicon detector. For both techniques we present sample data demonstrating the ability of these techniques to characterize elastic strains and polycrystalline texture as a function of time during high-rate deformation.

Magnetocaloric effect of Gd4(BixSb1-x)3 alloy series

International Nuclear Information System (INIS)

Niu, Xuejun

1999-01-01

Alloys from the Gd 4 (Bi x Sb 1-x ) 3 series were prepared by melting a stoichiometric amounts of pure metals in an induction furnace. The crystal structure is of the anti-Th 3 P 4 type (space group Ibar 43d) for all the compounds tested. The linear increase of the lattice parameters with Bi concentration is attributed to the larger atomic radius of Bi than that of Sb. Magnetic measurements show that the alloys order ferromagnetically from 266K to 330K, with the ordering temperature increasing with decreasing Bi concentration. The alloys are soft ferromagnets below their Curie temperatures, and follow the Curie-Weiss law above their ordering temperatures. The paramagnetic effective magnetic moments are low compared to the theoretical value for a free Gd 3+ , while the ordered magnetic moments are close to the theoretical value for Gd. The alloys exhibit a moderate magnetocaloric effect (MCE) whose maxima are located between 270K and 338K and have relatively wide peaks. The peak MCE temperature decreases with decreasing Bi concentration while the peak height increases with decreasing Bi concentration. The Curie temperatures determined from inflection points of heat capacity are in good agreement with those obtained from the magnetocaloric effect. The MCE results obtained from the two different methods (magnetization and heat capacity) agree quite well with each other for all of the alloys in the series

Mechanical alloying of Cu-xCr (x = 3, 5 and 8 wt.%) alloys

International Nuclear Information System (INIS)

Aguilar, C.; Ordonez, S.; Guzman, D.; Rojas, P.A.

2010-01-01

This work studies the structural evolution of Cu-xCr (x = 3, 5 and 8 wt.%) alloys processed by mechanical alloying using X-ray diffraction profiles, scanning microscopy and microhardness analysis. X-ray diffraction analysis using the modified Williamson-Hall and Warren-Averbach methods were used to determine structural properties, such as crystallite size, stacking fault probability and energy, dislocation density, lattice parameters and crystallite size distribution of metallic powder as a function of Cr amount and milling time. Lattice defects increase the Gibbs free energy and the Gibbs free energy curves shift upward, therefore the solubility limit change.

High strength and utilizable ductility of bulk ultrafine-grained Cu-Al alloys

Science.gov (United States)

An, X. H.; Han, W. Z.; Huang, C. X.; Zhang, P.; Yang, G.; Wu, S. D.; Zhang, Z. F.

2008-05-01

Lack of plasticity is the main drawback for nearly all ultrafine-grained (UFG) materials, which restricts their practical applications. Bulk UFG Cu-Al alloys have been fabricated by using equal channel angular pressing technique. Its ductility was improved to exceed the criteria for structural utility while maintaining a high strength by designing the microstructure via alloying. Factors resulting in the simultaneously enhanced strength and ductility of UFG Cu-Al alloys are the formation of deformation twins and their extensive intersections facilitating accumulation of dislocations.

XPS study on Mg0.9-xTi0.1PdxNi (x = 0.04, 0.06, 0.08, 0.1) hydrogen storage electrode alloys after charge-discharge cycles

International Nuclear Information System (INIS)

Tian Qifeng; Zhang Yao; Wu Yuanxin

2009-01-01

The passive film composition of Mg 0.9-x Ti 0.1 Pd x Ni (x = 0.04, 0.06, 0.08, 0.1) hydrogen storage alloys after 40 charge-discharge cycles has been investigated by means of X-ray photoelectron spectroscopy (XPS) in combination with Ar + sputtering technology. With the XPSPEAK software, high resolution spectra of alloy elements and oxygen were deconvolved into individual peaks. Composites formed by metal elements and their relative contents were also deduced. It was found that the composites originated from Mg and Ni were mainly in the form of their oxides and hydroxides, which existed at the top surface of alloys. With the increase of sputtering depth, the hydroxides of Mg and Ni gradually disappeared while corresponding oxides dominated their passive products. According to the analysis results of oxygen spectra, the elemental segregation of Mg and Ni was influenced by the substitution of Pd because the addition of Pd slightly enhanced the surface energy of the alloys and suppressed the formation of Mg hydroxide and oxide. Ti and Pd presented multiple-oxides from the surface to the inner alloys and metallic Pd appeared in the sub-layers of the alloys' surface. The possible mechanisms of the formation of passive products were suggested on the basis of the discussion in the paper.

Structure and energetics of bimetallic surface confined alloys

Energy Technology Data Exchange (ETDEWEB)

Bergbreiter, Andreas; Roetter, Ralf T.; Engstfeld, Albert K.; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University (Germany); Gross, Axel [Institute for Theoretical Chemistry, Ulm University (Germany)

2009-07-01

The atomic distribution in a number of A{sub x}B{sub 1-x}/B type surface alloys was determined by STM imaging with chemical contrast and statistically evaluated. Whereas in the systems Au{sub x}Pt{sub 1-x}/Pt(111), Ag{sub x}Pt{sub 1-x}/Pt(111), and Pd{sub x}Ru{sub 1-x}/Ru(0001) we find preferences for larger homoatomic aggregates, the atom distribution in Pt{sub x}Ru{sub 1-x}/Ru(0001) and Ag{sub x}Pd{sub 1-x}/Pd(111) is very close to a random one[1]. In Ag{sub x}Pd{sub 1-x}/Pd(111), our data show a small tendency towards clustering for x{sub Ag}<0.5, whereas at x{sub Ag}>0.5 this is reversed to a slight preference for heteroatomic neighborhoods. Based on these experimental results, we have derived effective cluster interaction energies for all surface alloys. These allow us to calculate phase diagrams for the surface alloys that we compare to predictions from theoretical work and to the behaviour of the corresponding bulk systems. We also discuss in how far the different atom distributions affect chemical and catalytic properties of the surface alloys.

Temperature-dependent elastic properties of Ti{sub 1−x}Al{sub x}N alloys

Energy Technology Data Exchange (ETDEWEB)

Shulumba, Nina [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Functional Materials, Saarland University, D-66123 Saarbrücken (Germany); Hellman, Olle [Division of Engineering and Applied Science, California Institute of Technology, Pasadena, California 91125 (United States); Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Rogström, Lina; Raza, Zamaan; Tasnádi, Ferenc; Odén, Magnus [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Abrikosov, Igor A. [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Materials Modeling and Development Laboratory, NUST “MISIS,” 119049 Moscow (Russian Federation); LACOMAS Laboratory, Tomsk State University, 634050 Tomsk (Russian Federation)

2015-12-07

Ti{sub 1−x}Al{sub x}N is a technologically important alloy that undergoes a process of high temperature age-hardening that is strongly influenced by its elastic properties. We have performed first principles calculations of the elastic constants and anisotropy using the symmetry imposed force constant temperature dependent effective potential method, which include lattice vibrations and therefore the effects of temperature, including thermal expansion and intrinsic anharmonicity. These are compared with in situ high temperature x-ray diffraction measurements of the lattice parameter. We show that anharmonic effects are crucial to the recovery of finite temperature elasticity. The effects of thermal expansion and intrinsic anharmonicity on the elastic constants are of the same order, and cannot be considered separately. Furthermore, the effect of thermal expansion on elastic constants is such that the volume change induced by zero point motion has a significant effect. For TiAlN, the elastic constants soften non-uniformly with temperature: C{sub 11} decreases substantially when the temperature increases for all compositions, resulting in an increased anisotropy. These findings suggest that an increased Al content and annealing at higher temperatures will result in a harder alloy.

Thermoelectric properties of n-type Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} fabricated by mechanical alloying and hot pressing

Energy Technology Data Exchange (ETDEWEB)

Kim, H J; Choi, J S; Oh, T S; Hyun, D B

1997-07-01

Thermoelectric properties of polycrystalline Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} (0.05 {le} x {le} 0.25), fabricated by mechanical alloying and hot pressing, have been investigated. Formation of n-type Bi{sub 2}(Te{sub 0.9}Se{sub 0.1}){sub 3} alloy powders was completed by mechanical alloying for 3 hours at ball-to-material ratio of 5:1, and processing time for Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} formation increased with Bi{sub 2}Se{sub 3} content x. Figure-of-merit of Bi{sub 2}(Te{sub 0.9}Se{sub 0.1}) was markedly increased by hot pressing at temperatures above 450 C, and maximum value of 1.9 x 10{sup {minus}3}/K was obtained by hot pressing at 550 C. With addition of 0.015 wt% Bi as acceptor dopant, figure-of-merit of Bi{sub 2}(Te{sub 0.9}Se{sub 0.1}){sub 3} was hot pressed at 550 C, could be improved to 2.1 x 10{sup {minus}3}/K. When Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} was hot pressed at 550 C, figure-of-merit increased from 1.14 x 10{sup {minus}3}/K to 1.92 x 10{sup {minus}3}/K with increasing Bi{sub 2}Se{sub 3} content x from 0.05 to 0.15, and then decreased to 1.30 x 10{sup {minus}3}/K for x = 0.25 composition.

Magnetic Properties of Nanocrystalline FexCu1-x Alloys Prepared by Ball Milling

International Nuclear Information System (INIS)

Yousif, A.; Bouziane, K.; Elzain, M. E.; Ren, X.; Berry, F. J.; Widatallah, H. M.; Al Rawas, A.; Gismelseed, A.; Al-Omari, I. A.

2004-01-01

X-ray diffraction, Moessbauer and magnetization measurements were used to study Fe x Cu 1-x alloys prepared by ball-milling. The X-ray data show the formation of a nanocrystalline Fe-Cu solid solution. The samples with x≥0.8 and x≤0.5 exhibit bcc or fcc phase, respectively. Both the bcc and fcc phases are principally ferromagnetic for x≥0.2, but the sample with x=0.1 remains paramagnetic down to 78 K. The influence of the local environment on the hyperfine parameters and the local magnetic moment are discussed using calculations based on the discrete-variational method in the local density approximation.

Lattice vibrations study of Ga1-xInxAsySb1-y quaternary alloys with low (In, As) content grown by liquid phase epitaxy

International Nuclear Information System (INIS)

Olvera-Herandez, J; Olvera-Cervantes, J; Rojas-Lopez, M; Navarro-Contreras, H; Vidal, M A; Anda, F de

2006-01-01

Raman scattering spectroscopy was used to measure and analyze the lattice vibrations in some quaternary Ga 1-x In x As y Sb 1-y alloys with low (In, As) contents (0.03 0 C. High Resolution X-Ray Diffraction results showed profiles associated with a quaternary layer lattice matched to the GaSb substrate as obtained from the (004) reflection. The experimental diffractograms were simulated to estimate alloy composition, thickness and lattice mismatch of the layer. Raman scattering results show phonon frequencies associated to the TO and LO GaAs-like modes as well as GaSb + InAs-like mode, which are characteristic of this quaternary alloy. The As content dependence of the phonon frequency measured in this alloy for low (In, As) contents agree well with the modified Random-Element Isodisplacement (REI) model and also with other available experimental reports. This method can also be used to estimate alloy compositions for this kind of quaternary alloys

Phase transitions and thermal expansion in Ni51- x Mn36 + x Sn13 alloys

Science.gov (United States)

Kaletina, Yu. V.; Gerasimov, E. G.; Kazantsev, V. A.; Kaletin, A. Yu.

2017-10-01

Thermal expansion and structural and magnetic phase transitions in alloys of the Ni-Mn-Sn system have been investigated. The spontaneous martensitic transformation in Ni51-xMn36 + xSn13 (0 ≤ x ≤ 3) alloys is found to be accompanied by high jumps in the temperature dependences of the linear thermal expansion. The relative change in the linear sizes of these alloys at the martensitic transformation is 1.5 × 10-3. There are no anomalies in the magnetic-ordering temperature range in the temperature dependences of the coefficient of linear thermal expansion. The differences in the behavior of linear thermal expansion at the martensitic transformation in Ni51-xMn36 + xSn13 (0 ≤ x ≤ 3) and Ni47Mn40Sn13( x = 4) alloys have been established.

The microstructures and electrochemical performances of La0.6Gd0.2Mg0.2Ni3.0Co0.5-xAlx (x=0-0.5) hydrogen storage alloys as negative electrodes for nickel/metal hydride secondary batteries

Science.gov (United States)

Li, Rongfeng; Xu, Peizhen; Zhao, Yamin; Wan, Jing; Liu, Xiaofang; Yu, Ronghai

2014-12-01

La0.6Gd0.2Mg0.2Ni3.0Co0.5-xAlx (x = 0-0.5) hydrogen storage alloys were prepared by induction melting followed by annealing treatment at 1173 K for 8 h. The effects of substitution Al for Co on the microstructures and electrochemical performances were studied systematically. The structure analyses show that all alloys consist of multiphase structures such as (La, Mg)2Ni7 phase, (La, Mg) Ni3 phase and LaNi5 phase. The abundance of (La, Mg)2Ni7 phase decreases while the abundance of LaNi5 phase and (La, Mg)Ni3 phase increases directly as the Al content increasing. The electrochemical tests show that the maximum discharge capacity of alloy electrodes are almost unchanged when x ≤ 0.2 while the cyclic stability of the alloy electrode are improved significantly after proper amount of Al substitution for Co. The alloy electrode with x = 0.1 exhibits the better balance between discharge capacity and cycling life than any others. Moreover, at the discharge current density of 900 mA g-1, the high rate dischargeability (HRD) of the alloy electrodes decreases with increasing Al substitution and the relative analyses reveal that the charge transfer on alloy surface is more important than the hydrogen diffusion in alloy bulk for the kinetic properties of the alloy electrodes.

Metastability and thermophysical properties of metallic bulk glass forming alloys

International Nuclear Information System (INIS)

Wunderlich, R.K.; Fecht, H.J.

1998-01-01

The absence of crystallization over a wide time/temperature window can be used to produce bulk metallic glass by relatively slow cooling of the melt. For a number of alloys, including several multicomponent Zr-based alloys, the relevant thermodynamic and thermomechanical properties of the metastable glassy and undercooled liquid states have been measured below and above the glass transition temperature. These measurements include specific heat, viscosity, volume, and elastic properties as a function of temperature. As a result, it becomes obvious that the maximum undercooling for these alloys is given by an isentropic condition before an enthalpic or isochoric instability is reached. Alternatively, these glasses can also be produced by mechanical alloying, thus replacing the thermal disorder by static disorder and resulting in the same thermodynamic glass state. During heating through the undercooled liquid, a nanoscale phase separation occurs for most glasses as a precursor of crystallization

Undoped p-type GaN1-xSbx alloys: Effects of annealing

Science.gov (United States)

Segercrantz, N.; Baumgartner, Y.; Ting, M.; Yu, K. M.; Mao, S. S.; Sarney, W. L.; Svensson, S. P.; Walukiewicz, W.

2016-12-01

We report p-type behavior for undoped GaN1-xSbx alloys with x ≥ 0.06 grown by molecular beam epitaxy at low temperatures (≤400 °C). Rapid thermal annealing of the GaN1-xSbx films at temperatures >400 °C is shown to generate hole concentrations greater than 1019 cm-3, an order of magnitude higher than typical p-type GaN achieved by Mg doping. The p-type conductivity is attributed to a large upward shift of the valence band edge resulting from the band anticrossing interaction between localized Sb levels and extended states of the host matrix.

Noninjection Synthesis of CdS and Alloyed CdSxSe1−xNanocrystals Without Nucleation Initiators

Directory of Open Access Journals (Sweden)

Zou Yu

2010-01-01

Full Text Available Abstract CdS and alloyed CdSxSe1−x nanocrystals were prepared by a simple noninjection method without nucleation initiators. Oleic acid (OA was used to stabilize the growth of the CdS nanocrystals. The size of the CdS nanocrystals can be tuned by changing the OA/Cd molar ratios. On the basis of the successful synthesis of CdS nanocrystals, alloyed CdSxSe1−x nanocrystals can also be prepared by simply replacing certain amount of S precursor with equal amount of Se precursor, verified by TEM, XRD, EDX as well as UV–Vis absorption analysis. The optical properties of the alloyed CdSxSe1−x nanocrystals can be tuned by adjusting the S/Se feed molar ratios. This synthetic approach developed is highly reproducible and can be readily scaled up for potential industrial production.

Temperature dependence of the bulk and surface properties of liquid Zn-Cd alloys

Energy Technology Data Exchange (ETDEWEB)

Awe, O.E. [University of Ibadan, Department of Physics, Ibadan (Nigeria); Azeez, A.A. [African University of Science and Technology, Abuja (Nigeria)

2017-05-15

The effects of temperature on the bulk and surface properties of liquid Zn-Cd alloys have been theoretically investigated, using a combination of self association model, Darken's thermodynamic equation for diffusion, empirical model for viscosity and a statistical mechanics model. The results from this study show that change in temperature resulted in cross-over effects in bulk and surface properties. We also found that with an increase in temperature, a pronounced asymmetry of viscosity isotherm is significantly reduced, and viscosity isotherm exhibited anomalous behaviour. Our results reveal that the homocoordination tendency in Zn-Cd liquid alloys is not strong and reduces with increasing temperature. The study further suggests a pronounced segregation of Cd-atoms at the surface of Zn-Cd liquid alloys and the extent of segregation reduces with temperature. We as well found that, in addition to the reported understanding that size-factor determines the compositional location of asymmetry of the viscosity isotherm, temperature is an operating parameter that has effect, not only on the composition of asymmetry, but also on the magnitude of asymmetry. In all the properties investigated, the most pronounced effect of temperature (52.9 %) is on the viscosity while the least effect (7.1 %) is on the surface tension. (orig.)

Anomalous magnetic ordering in Dy_xPr_1-x alloys

DEFF Research Database (Denmark)

Clegg, P.S.; Cowley, R.A.; Goff, J.P.

2000-01-01

Epitaxial thin-films of DyxPr1-x alloys have been studied using neutron diffraction and magnetization measurements. The crystal structure changes from HCP to Sm type to DHCP as x decreases; each crystal phase has different magnetic behaviour. Surprisingly, long-range order is suppressed in the DH...... allays, a possible explanation is outlined. (C) 2000 Elsevier Science B.V. All rights reserved....

First-principles calculations of structural, electronic and optical properties of CdxZn1-xS alloys

KAUST Repository

Noor, Naveed Ahmed; Ikram, Nazma; Ali, Sana Zulfiqar; Nazir, Safdar; Alay-E-Abbas, Syed Muhammad; Shaukat, Ali

2010-01-01

Structural, electronic and optical properties of ternary alloy system CdxZn1-xS have been studied using first-principles approach based on density functional theory. Electronic structure, density of states and energy band gap values for CdxZn1-xS

Irradiation-assisted stress corrosion cracking in HTH Alloy X-750 and Alloy 625

International Nuclear Information System (INIS)

Bajaj, R.; Mills, W.J.; Lebo, M.R.; Hyatt, B.Z.; Burke, M.G.

1995-01-01

In-reactor testing of bolt-loaded compact tension specimens was performed in 360 C water to determine the irradiation-assisted stress corrosion cracking (IASCC) behavior of HTH Alloy X-750 and direct-aged Alloy 625. New data confirm previous results showing that high irradiation levels reduce SCC resistance in Alloy X-750. Heat-to-heat variability correlates with boron content, with low boron heats showing improved IASCC properties. Alloy 625 is resistant to IASCC, as no cracking was observed in any Alloy 625 specimens. Microstructural, microchemical and deformation studies were performed to characterize the mechanisms responsible for IASCC in Alloy X-750 and the lack of an effect in Alloy 625. The mechanisms under investigation are: boron transmutation effects, radiation-induced changes in microstructure and deformation characteristics, and radiation-induced segregation. Irradiation of Alloy X-750 caused significant strengthening and ductility loss that was associated with the formation of cavities and dislocation loops. High irradiation levels did not cause significant segregation of alloying or trace elements in Alloy X-750. Irradiation of Alloy 625 resulted in the formation of small dislocation loops and a fine body-centered-orthorhombic phase. The strengthening due to the loops and precipitates was apparently offset by a partial dissolution of γ double-prime precipitates, as Alloy 625 showed no irradiation-induced strengthening or ductility loss. In the nonirradiated condition, an IASCC susceptible HTH heat containing 28 ppm B showed grain boundary segregation of boron, whereas a nonsusceptible HTH heat containing 2 ppm B and Alloy 625 with 20 ppm B did not show significant boron segregation. Transmutation of boron to helium at grain boundaries, coupled with matrix strengthening, is believed to be responsible for IASCC in Alloy X-750, and the absence of these two effects results in the superior IASCC resistance displayed by Alloy 625

ZnO1-xTex and ZnO1-xSx semiconductor alloys as competent materials for opto-electronic and solar cell applications: a comparative analysis

Institute of Scientific and Technical Information of China (English)

Utsa Das; Partha P.Pal

2017-01-01

ZnO1-xTex ternary alloys have great potential to work as a photovoltaic (PV) absorber in solar cells.ZnO1-xSx is also a ZnO based alloy that have uses in solar cells.In this paper we report the comparative study of various parameters of ZnO1-xTex and ZnO1-xSx for selecting it to be a competent material for solar cell applications.The parameters are mainly being calculated using the well-known VCA (virtual crystal approximation) and VBAC (Valence Band Anti-Crossing) model.It was certainly being analysed that the incorporation of Te atoms produces a high band gap lower than S atoms in the host ZnO material.The spin-orbit splitting energy value of ZnO1-xTex was found to be higher than that of ZnO1-xSx.Beside this,the strain effects are also higher in ZnO1-xTex than ZnO1-xSx.The remarkable notifying result which the paper is reporting is that at a higher percentage of Te atoms in ZnO1-xTex,the spin-orbit splitting energy value rises above the band gap value,which signifies a very less internal carrier recombination that decreases the leakage current and increases the efficiency of the solar ceil.Moreover,it also covers a wide wavelength range compared to ZnO1-xSx.

Bridgman growth and characterization of bulk single crystals of Ga1-xInxSb for thermophotovoltaic applications

International Nuclear Information System (INIS)

Boyer, J.R.; Haines, W.T.

1997-12-01

Thermophotovoltaic generation of electricity is attracting renewed attention due to recent advances in low bandgap (0.5--0.7 eV) III-V semiconductors. The use of mixed pseudo-binary compounds allows for the tailoring of the lattice parameter and the bandgap of the material. Conventional deposition techniques (i.e., epitaxy) for producing such ternary or quaternary materials are typically slow and expensive. Production of bulk single crystals of ternary materials, for example Ga 1-x In x Sb, is expected to dramatically reduce such material costs. Bulk single crystals of Ga 1-x In x Sb have been prepared using a Bridgman technique in a two-zone furnace. These crystals are 19 mm in diameter by approximately 50 mm long and were produced using seeds of the same diameter. The effects of growth rate and starting materials on the composition and quality of these crystals will be discussed and compared with other attempts to produce single crystals of this material

Narrow-gap physical vapour deposition synthesis of ultrathin SnS1-xSex (0 ≤ x ≤ 1) two-dimensional alloys with unique polarized Raman spectra and high (opto)electronic properties.

Science.gov (United States)

Gao, Wei; Li, Yongtao; Guo, Jianhua; Ni, Muxun; Liao, Ming; Mo, Haojie; Li, Jingbo

2018-05-10

Here we report ultrathin SnS1-xSex alloyed nanosheets synthesized via a narrow-gap physical vapour deposition approach. The SnS1-xSex alloy presents a uniform quadrangle shape with a lateral size of 5-80 μm and a thickness of several nanometers. Clear orthorhombic symmetries and unique in-plane anisotropic properties of the 2D alloyed nanosheets were found with the help of X-ray diffraction, high resolution transmission electron microscopy and polarized Raman spectroscopy. Moreover, 2D alloyed field-effect transistors were fabricated, exhibiting a unipolar p-type semiconductor behavior. This study also provided a lesson that the thickness of the alloyed channels played the major role in the current on/off ratio, and the high ratio of 2.10 × 102 measured from a large ultrathin SnS1-xSex device was two orders of magnitude larger than that of previously reported SnS, SnSe nanosheet based transistors because of the capacitance shielding effect. Obviously enhanced Raman peaks were also found in the thinner nanosheets. Furthermore, the ultrathin SnS0.5Se0.5 based photodetector showed a highest responsivity of 1.69 A W-1 and a short response time of 40 ms under illumination of a 532 nm laser from 405 to 808 nm. Simultaneously, the corresponding highest external quantum efficiency of 392% and detectivity of 3.96 × 104 Jones were also achieved. Hopefully, the narrow-gap synthesis technique provides us with an improved strategy to obtain large ultrathin 2D nanosheets which may tend to grow into thicker ones for stronger interlayer van der Waals forces, and the enhanced physical and (opto)electrical performances in the obtained ultrathin SnS1-xSex alloyed nanosheets prove their great potential in the future applications for versatile devices.

Local Conduction in Mo xW1- xSe2: The Role of Stacking Faults, Defects, and Alloying.

Science.gov (United States)

Bampoulis, Pantelis; Sotthewes, Kai; Siekman, Martin H; Zandvliet, Harold J W

2018-04-18

Here, we report on the surface conductivity of WSe 2 and Mo x W 1- x Se 2 (0 ≤ x ≤ 1) crystals investigated with conductive atomic force microscopy. We found that stacking faults, defects, and chemical heterogeneities form distinct two-dimensional and one-dimensional conduction paths on the transition metal dichalcogenide surface. In the case of WSe 2 , in addition to step edges, we find a significant amount of stacking faults (formed during the cleaving process) that strongly influence the surface conductivity. These regions are attributed to the alternation of the 2H and 3R polytypism. The stacking faults form regular 2D patterns by alternation of the underlying stacking order, with a periodicity that varies significantly between different regions and samples. In the case of Mo x W 1- x Se 2 , its conductivity has a localized nature, which depends on the underlying chemical composition and the Mo/W ratio. Segregation to W-rich and Mo-rich regions during the growth process leads to nonuniform conduction paths on the surface of the alloy. We found a gradual change of the conductivity moving from one region to the other, reminiscent of lateral band bending. Our results demonstrate the use of C-AFM as a nanoscopic tool to probe the electrical properties of largely inhomogeneous samples and show the complicated nature of the surface conductivity of TMDC alloys.

Rapid Synthesis of Highly Monodisperse Au x Ag 1− x Alloy Nanoparticles via a Half-Seeding Approach

KAUST Repository

Chng, Ting Ting; Polavarapu, Lakshminarayana; Xu, Qing Hua; Ji, Wei; Zeng, Hua Chun

2011-01-01

Gold-silver alloy AuxAg1-x is an important class of functional materials promising new applications across a wide array of technological fields. In this paper, we report a fast and facile synthetic protocol for preparation of highly monodisperse Aux

A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

International Nuclear Information System (INIS)

Huang, Y.J.; Shen, J.; Sun, J.F.; Yu, X.B.

2007-01-01

The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti 41.5 Zr 2.5 Hf 5 Cu 42.5-x Ni 7.5 Si 1 Sn x (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy. The activation energies for glass transition and crystallization for Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy also possesses superior mechanical properties

Competing order parameters in quenched random alloys: Fe/sub 1-x/Co/sub x/Cl2

International Nuclear Information System (INIS)

Wong, P.; Horn, P.M.; Birgeneau, R.J.; Safinya, C.R.; Shirane, G.

1980-01-01

A study is reported of the magnetic properties of the random alloy Fe/sub 1-x/Co/sub x/Cl 2 , which represents an archetypal example of a system with competing orthogonal spin anisotropies. Behavior similar to previous experiments and theoretical predictions is found, but with important qualitative and quantitative differences; in particular the phase transition in one variable is drastically altered by the existence of long-range order in the other variable. It is hypothesized that this is due to microscopic random-field effects

Nature of the fundamental band gap in GaNxP1-x alloys

International Nuclear Information System (INIS)

Shan, W.; Walukiewicz, W.; Yu, K. M.; Wu, J.; Ager, J. W. III; Haller, E. E.; Xin, H. P.; Tu, C. W.

2000-01-01

The optical properties of GaN x P 1-x alloys (0.007≤x≤0.031) grown by gas-source molecular-beam epitaxy have been studied. An absorption edge appears in GaN x P 1-x at energy below the indirect Γ V -X C transition in GaP, and the absorption edge shifts to lower energy with increasing N concentration. Strong photomodulation signals associated with the absorption edges in GaN x P 1-x indicate that a direct fundamental optical transition is taking place, revealing that the fundamental band gap has changed from indirect to direct. This N-induced transformation from indirect to direct band gap is explained in terms of an interaction between the highly localized nitrogen states and the extended states at the Γ conduction-band minimum. (c) 2000 American Institute of Physics

Valence Band Structure of InAs1−xBix and InSb1−xBix Alloy Semiconductors Calculated Using Valence Band Anticrossing Model

Science.gov (United States)

Samajdar, D. P.; Dhar, S.

2014-01-01

The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs1−xBix and InSb1−xBix alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E − energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data. PMID:24592181

Preparation of nanocrystalline Ce1-xSmx(Fe,Co)11Ti by melt spinning and mechanical alloying

Science.gov (United States)

Wuest, H.; Bommer, L.; Huber, A. M.; Goll, D.; Weissgaerber, T.; Kieback, B.

2017-04-01

Permanent magnetic materials based on Ce(Fe, Co)12-xTix with the ThMn12 structure are promising candidates for replacing NdFeB magnets. Its intrinsic magnetic properties are not far below the values of Nd2Fe14B, and the high amount of Fe and the fact that Ce is much more abundant and less expensive than Nd encourages the reasonable interest in these compounds. Nanocrystalline magnetic material of the composition Ce1-xSmxFe11-yCoyTi (x=0-1 and y=0; 1.95) has been produced by both melt spinning and mechanical alloying. Alloys containing only Ce as rare earth element (x=0) show coercivities below 77 kA/m, while for x=1 Hc,J values up to 392 kA/m are reached. Coercivity shows rather an exponential than a linear dependence on the gradual substitution of Ce by Sm.

Topological Phase Diagrams of Bulk and Monolayer TiS2−xTex

KAUST Repository

Zhu, Zhiyong

2013-02-12

With the use of ab initio calculations, the topological phase diagrams of bulk and monolayer TiS2−xTex are established. Whereas bulk TiS2−xTex shows two strong topological phases [1;(000)] and [1;(001)] for 0.44<x<0.56 and 0.56<x<1, respectively, the monolayer is topologically nontrivial for 0.48<x<0.80. Because in the latter doping range the topologically nontrivial nature survives down to a monolayer, TiS2−xTex is a unique system for studying topological phases in three and two dimensions simultaneously.

Topological Phase Diagrams of Bulk and Monolayer TiS2−xTex

KAUST Repository

Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

2013-01-01

With the use of ab initio calculations, the topological phase diagrams of bulk and monolayer TiS2−xTex are established. Whereas bulk TiS2−xTex shows two strong topological phases [1;(000)] and [1;(001)] for 0.44<x<0.56 and 0.56<x<1, respectively, the monolayer is topologically nontrivial for 0.48<x<0.80. Because in the latter doping range the topologically nontrivial nature survives down to a monolayer, TiS2−xTex is a unique system for studying topological phases in three and two dimensions simultaneously.

Band gap characterization of ternary BBi1−xNx (0≤x≤1) alloys using modified Becke–Johnson (mBJ) potential

International Nuclear Information System (INIS)

Yalcin, Battal G.

2015-01-01

The semi-local Becke–Johnson (BJ) exchange-correlation potential and its modified form proposed by Tran and Blaha have attracted a lot of interest recently because of the surprisingly accurate band gaps they can deliver for many semiconductors and insulators (e.g., sp semiconductors, noble-gas solids, and transition-metal oxides). The structural and electronic properties of ternary alloys BBi 1−x N x (0≤x≤1) in zinc-blende phase have been reported in this study. The results of the studied binary compounds (BN and BBi) and ternary alloys BBi 1−x N x structures are presented by means of density functional theory. The exchange and correlation effects are taken into account by using the generalized gradient approximation (GGA) functional of Wu and Cohen (WC) which is an improved form of the most popular Perdew–Burke–Ernzerhof (PBE). For electronic properties the modified Becke–Johnson (mBJ) potential, which is more accurate than standard semi-local LDA and PBE calculations, has been chosen. Geometric optimization has been implemented before the volume optimization calculations for all the studied alloys structure. The obtained equilibrium lattice constants of the studied binary compounds are in coincidence with experimental works. And, the variation of the lattice parameter of ternary alloys BBi 1−x N x almost perfectly matches with Vegard's law. The spin–orbit interaction (SOI) has been also considered for structural and electronic calculations and the results are compared to those of non-SOI calculations

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1-x ternary alloys

Science.gov (United States)

Oumelaz, F.; Nemiri, O.; Boumaza, A.; Ghemid, S.; Meradji, H.; Bin Omran, S.; El Haj Hassan, F.; Rai, D. P.; Khenata, R.

2018-06-01

In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1-x ternary alloys. Our calculations are performed with the WIEN2k code based on density functional theory using the full-potential linearized augmented plane wave method. For the electron exchange-correlation potential, a generalized gradient approximation within Wu-Cohen scheme is considered. The recently developed Tran-Blaha modified Becke-Johnson potential has also been used to improve the underestimated band gap. The structural properties, including the lattice constants, the bulk moduli and their pressure derivatives are in very good agreement with the available experimental data and theoretical results. Several structural phase transitions were studied here to establish the stable structure and to predict the phase transition under hydrostatic pressure. The computed transition pressure (Pt) of the material of our interest from the zinc blende (B3) to the rock salt (B1) phase has been determined and found to agree well with the experimental and theoretical data. The calculated band structure shows that GaSb binary compound and the ternary alloys are direct band gap semiconductors. Optical parameters such as the dielectric constants and the refractive indices are calculated and analyzed. The thermodynamic results are also interpreted and analyzed.

Thermal stability and magnetocaloric properties of GdDyAlCo bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Liang, L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Hui, X. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)], E-mail: huixd01@hotmail.com; Chen, G.L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)

2008-01-25

Gd{sub 56-x}Dy{sub x}Al{sub 24}Co{sub 20} (x = 16, 20 and 22) bulk metallic glasses (BMGs) alloys with a diameter of 2, 3 and 3 mm, respectively, were prepared by using copper mold casting. These alloys exhibit higher values of the glass transition temperature, crystallization temperature, and activation energy of the glass transition and crystallization, compared with those of other known rare-earth-based BMGs. A maximum magnetic entropy changes of 15.78 J/(kg K) is obtained in Gd{sub 40}Dy{sub 16}Al{sub 24}Co{sub 20}, which is the maximal among all the bulk metallic glasses, and is much larger than those of the known crystalline magnetic refrigerant compound Gd{sub 5}Si{sub 2}Ge{sub 1.9}Fe{sub 0.1} and pure Gd metal. All the three BMG alloys have a broader temperature range of the entropy change peak, resulting in larger refrigerate capacities (RC) than those of conventional crystalline materials. The excellent magnetocaloric properties combining with high thermal stability make them an attractive candidate for magnetic refrigerants in the temperature range of 20-100 K.

Growth and properties of Al-rich InxAl1-xN ternary alloy grown on GaN template by metalorganic chemical vapour deposition

International Nuclear Information System (INIS)

Oh, Tae Su; Suh, Eun-Kyung; Kim, Jong Ock; Jeong, Hyun; Lee, Yong Seok; Nagarajan, S; Lim, Kee Young; Hong, Chang-Hee

2008-01-01

An Al-rich In x Al 1-x N ternary alloy was grown on a GaN template by metal-organic chemical vapour deposition (MOCVD). The GaN template was fabricated on a c-plane sapphire with a low temperature GaN nucleation layer. The growth of the 300 nm thick In x Al 1-x N layer was carried out under various growth temperatures and pressures. The surface morphology and the InN molar fraction of the In x Al 1-x N layer were assessed by using atomic force microscopy (AFM) and high resolution x-ray diffraction, respectively. The AFM surface images of the In x Al 1-x N ternary alloy exhibited quantum dot-like grains caused by the 3D island growth mode. The grains, however, disappeared rapidly by increasing diffusion length and mobility of the Al adatoms with increasing growth temperature and the full width at half maximum value of ternary peaks in HR-XRD decreased with decreasing growth pressure. The MOCVD growth condition with the increased growth temperature and decreased growth pressure would be effective to grow the In x Al 1-x N ternary alloy with a smooth surface and improved quality. The optical band edge of In x Al 1-x N ternary alloys was estimated by optical absorbance and, based on the results of HR-XRD and optical absorbance measurements, we obtained the bowing parameter of the In x Al 1-x N ternary alloy at b = 5.3 eV, which was slightly larger than that of previous reports

Search for fully compensated ferrimagnet in Co substituted Mn2VGa alloy

International Nuclear Information System (INIS)

Deka, Bhargab; Singh, R.K.; Srinivasan, A.

2015-01-01

Crystallographic and magnetic properties of bulk (Mn 1−x Co x ) 2 VGa alloys with 0≤x≤0.50 are reported in this work. All the alloys exhibit stable L2 1 structure. Unit cell volume of this series of alloys decreased from 207.5 Å 3 to 195.1 Å 3 as x was increased from 0 to 0.50. All the alloys shows ferrimagnetic behavior with Curie temperature decreasing from 763 K to 367 K with increase in x. Saturation magnetization (M s ) measured for the alloys with x=0, 0.25 and 0.50 are 1.84 μ B /f.u., 0.85 μ B /f.u. and 0.30 μ B /f.u., respectively, as compared to the values of 2.00 μ B /f.u., 1.00 μ B /f.u. and 0 μ B /f.u., predicted by the Slater–Pauling (S–P) rule. While explaining the deviations in the M s from the values predicted by the S–P rule, a fully compensated ferrimagnet is expected in an alloy with total number of valance electrons of 24.1. - Highlights: • (Mn 1−x Co x ) 2 VGa alloys with highly ordered L2 1 structure has been obtained • With Co substitution, magnetization of (Mn 1-x Co x ) 2 VGa alloys reduces to 0.3= B /f.u. • Fully compensated ferrimagnet is expected in the alloy with 24.1 valance electrons

Effects of aging time on the mechanical properties of Sn–9Zn–1.5Ag–xBi lead-free solder alloys

International Nuclear Information System (INIS)

Liu, Chih-Yao; Hon, Min-Hsiung; Wang, Moo-Chin; Chen, Ying-Ru; Chang, Kuo-Ming; Li, Wang-Long

2014-01-01

Highlights: • The microstructure of these solder alloys are composed of Sn-rich phase and Ag 3 Sn. • The grain size of Sn–9Zn–1.5Ag–xBi solder alloys increases with rose aging time. • The maximum yield strength is 112.7 ± 2.2 MPa for Sn–9Zn–1.5Ag–3Bi solder alloys. • TEM observed that Bi appears as oblong shape fine particles. -- Abstract: The effects of aging time on the mechanical properties of the Sn–9Zn–1.5Ag–xBi lead-free solder alloys are investigated using scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), energy dispersive spectrometry (EDS) and a universal testing machine. The experimental results show that the microstructure of Sn–9Zn–1.5Ag–xBi solder alloys is composed of Sn-rich phase and AgZn 3 . No other intermetallic compounds (IMCs) with Bi content was observed in the solder matrix for Sn–9Zn–1.5Ag solder alloys with various Bi contents before and after aging at 150 °C for different durations. The lattice parameter increases significantly with increasing aging time or Bi addition. The size of Sn-rich grain increased gradually with aging time increased, but decreases with Bi content increases. The maximum yield strength is 112.7 ± 2.2 MPa for Sn–9Zn–1.5Ag–3Bi solder alloy before aging

Effects of aging time on the mechanical properties of Sn–9Zn–1.5Ag–xBi lead-free solder alloys

Energy Technology Data Exchange (ETDEWEB)

Liu, Chih-Yao [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Hon, Min-Hsiung [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100, Shih-Chuan 1st Road, Kaohsiung 80728, Taiwan (China); Chen, Ying-Ru; Chang, Kuo-Ming; Li, Wang-Long [Institute of Nanotechnology and Microsystems Engineering, National Cheng Kung University, No. 1, University Road, Tainan 70101, Taiwan (China)

2014-01-05

Highlights: • The microstructure of these solder alloys are composed of Sn-rich phase and Ag{sub 3}Sn. • The grain size of Sn–9Zn–1.5Ag–xBi solder alloys increases with rose aging time. • The maximum yield strength is 112.7 ± 2.2 MPa for Sn–9Zn–1.5Ag–3Bi solder alloys. • TEM observed that Bi appears as oblong shape fine particles. -- Abstract: The effects of aging time on the mechanical properties of the Sn–9Zn–1.5Ag–xBi lead-free solder alloys are investigated using scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), energy dispersive spectrometry (EDS) and a universal testing machine. The experimental results show that the microstructure of Sn–9Zn–1.5Ag–xBi solder alloys is composed of Sn-rich phase and AgZn{sub 3}. No other intermetallic compounds (IMCs) with Bi content was observed in the solder matrix for Sn–9Zn–1.5Ag solder alloys with various Bi contents before and after aging at 150 °C for different durations. The lattice parameter increases significantly with increasing aging time or Bi addition. The size of Sn-rich grain increased gradually with aging time increased, but decreases with Bi content increases. The maximum yield strength is 112.7 ± 2.2 MPa for Sn–9Zn–1.5Ag–3Bi solder alloy before aging.

Probing the random distribution of half-metallic Co2Mn1-xFexSi Heusler alloys

NARCIS (Netherlands)

Wurmehl, S.; Kohlhepp, J.T.; Swagten, H.J.M.; Koopmans, B.; Wójcik, M.; Balke, B.; Blum, C.G.F.; Ksenofontov, V.; Fecher, G.H.; Felser, C.

2007-01-01

Co2Mn1-xFexSi Heusler alloys crystallize in the L21 structure. This structure type requires random distribution of Mn and Fe in case of the mixed alloys. The spin echo nuclear magnetic resonance (NMR) technique probes the direct local environments of the active atoms and is thus able to resolve next

Structure and grindability of cast Ti-5Cr-xFe alloys

International Nuclear Information System (INIS)

Hsu, H.-C.; Pan, C.-H.; Wu, S.-C.; Ho, W.-F.

2009-01-01

The purpose of this study was to investigate the structure, microhardness and grindability of Ti-5Cr and a series of ternary Ti-5Cr-xFe alloys with 0.1, 0.5, 1, 3 and 5 wt.% Fe, respectively. This study evaluated the phase and structure of Ti-5Cr and Ti-5Cr-xFe alloys, using an X-ray diffraction (XRD) for phase analysis and optical microscope for microstructure of the etched alloys. In addition, grindability was evaluated by measuring the amount of metal volume removed after grinding for 1 min at each of the four rotational speeds of the wheel (500, 750, 1000 or 1200 m/min), with the goal of developing a titanium alloy with better machinability than commercially pure titanium (c.p. Ti). The results showed that the structure of Ti-5Cr-xFe alloys is sensitive to the Fe content. With Fe contents higher than 0.5 wt.%, the equi-axed β phase is entirely retained, while ω phase was found in the Ti-5Cr, Ti-5Cr-0.1Fe, Ti-5Cr-0.5Fe and Ti-5Cr-1Fe alloys. The largest quantity of ω phase and highest microhardness were found in Ti-5Cr-0.5Fe and Ti-5Cr-1Fe alloys. The grinding rates of the Ti-5Cr and Ti-5Cr-xFe alloys showed a similar tendency to the microhardness. The Ti-5Cr, Ti-5Cr-0.1Fe, Ti-5Cr-0.5Fe and Ti-5Cr-1Fe alloys exhibited the best grindability, especially at 500, 750 and 1000 m/min. Furthermore, the grindability of the tested metals increased in proportion to grinding speed up to 1000 m/min, with a decrease after 1200 m/min. This study concluded that Fe may be used to harden titanium and improve the grindability

Ellipsometric spectroscopy on polycrystalline CuIn1-xGaxSe2: Identification of optical transitions

International Nuclear Information System (INIS)

El Haj Moussa, G.W.; Ajaka, M.; El Tahchi, M.; Eid, E.; Llinares, C.

2005-01-01

Bulk materials have been synthesized by the Bridgman technique using the elements Cu, Ga, In, Se. Bulk samples have been characterized by EDS (Energy Dispersive Spectrometer), hot point, X-ray diffraction, photoluminescence and spectroscopic ellipsometry (SE). The samples used were well crystallized and lended strong support to the achievement of a good stoichiometry. Energy levels above the gap in the band scheme were determined by measuring the dielectric function at ambient temperature for energies lying between 1.5 and 5.5 eV. Many transitions were observed above the gap for different samples of CuIn 1-x Ga x Se 2 (0≤x≤1) alloy. Spectroscopic ellipsometry gave evidence for the interpretation of the choice of gap values which were compatible with that obtained from solar spectrum [1]. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Hard magnetic off-stoichiometric (Fe,Sb){sub 2+x}Hf{sub 1-x} intermetallic phase

Energy Technology Data Exchange (ETDEWEB)

Goll, D.; Gross, T.; Loeffler, R.; Pflanz, U.; Vogel, T.; Kopp, A.; Grubesa, T.; Schneider, G. [Aalen University, Materials Research Institute (Germany)

2017-09-15

By high-throughput screening the ternary Fe-Hf-Sb system, off-stoichiometric (Fe,Sb){sub 2+x}Hf{sub 1-x} with a composition of Fe60.0-Hf26.5-Sb13.5 with high potential as hard magnetic phase is discovered. By quantitative domain structure analysis, promising intrinsic properties of J{sub s} ∝ 1 T, K{sub 1} ∝ 1.5 MJ m{sup -3} are found at room temperature. By magnetometry, bulk intrinsic properties of J{sub s} ∝ 0.7 T, K{sub 1} ∝ 1.4 MJ m{sup -3} are found. Alloying elements like Co or Mn turns out to be an effective adjusting screw on the crystal structure and ferromagnetic behavior. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Bond-length strain in buried Ga1-xInxAs thin-alloy films grown coherently on InP(001)

International Nuclear Information System (INIS)

Woicik, J.C.; Gupta, J.A.; Watkins, S.P.; Crozier, E.D.

1998-01-01

The bond lengths in a series of strained, buried Ga 1-x In x As thin-alloy films grown coherently on InP(001) have been determined by high-resolution extended x-ray absorption fine-structure measurements. Comparison with a random-cluster calculation demonstrates that the external in-plane epitaxial strain imposed by pseudomorphic growth opposes the natural bond-length distortions due to alloying.copyright 1998 American Institute of Physics

Composition controlled spin polarization in Co{sub 1-x}Fe{sub x}S{sub 2} alloys

Energy Technology Data Exchange (ETDEWEB)

Leighton, C [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Manno, M [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Cady, A [Advanced Photon Source, Argonne National Laboratory (United States); Freeland, J W [Advanced Photon Source, Argonne National Laboratory (United States); Wang, L [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Umemoto, K [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Wentzcovitch, R M [Department of Chemical Engineering and Materials Science, University of Minnesota (United States); Chen, T Y [Department of Physics and Astronomy, Johns Hopkins University (United States); Chien, C L [Department of Physics and Astronomy, Johns Hopkins University (United States); Kuhns, P L [National High Magnetic Field Laboratory, Florida State University (United States); Hoch, M J R [National High Magnetic Field Laboratory, Florida State University (United States); Reyes, A P [National High Magnetic Field Laboratory, Florida State University (United States); Moulton, W G [National High Magnetic Field Laboratory, Florida State University (United States); Dahlberg, E D [School of Physics and Astronomy, University of Minnesota (United States); Checkelsky, J [Physics Department, Harvey Mudd College (United States); Eckert, J [Physics Department, Harvey Mudd College (United States)

2007-08-08

The transition metal (TM) chalcogenides of the form TMX{sub 2} (X = S or Se) have been studied for decades due to their interesting electronic and magnetic properties such as metamagnetism and metal-insulator transitions. In particular, the Co{sub 1-x}Fe{sub x}S{sub 2} alloys were the subject of investigation in the 1970s due to general interest in itinerant ferromagnetism. In recent years (2000-present) it has been shown, both by electronic structure calculations and detailed experimental investigations, that Co{sub 1-x}Fe{sub x}S{sub 2} is a model system for the investigation of highly spin polarized ferromagnetism. The radically different electronic properties of the two endpoint compounds (CoS{sub 2} is a narrow bandwidth ferromagnetic metal, while FeS{sub 2} is a diamagnetic semiconductor), in a system forming a substitutional solid solution allows for composition control of the Fermi level relative to the spin split bands, and therefore composition-controlled conduction electron spin polarization. In essence, the recent work has shown that the concept of 'band engineering' can be applied to half-metallic ferromagnets and that high spin polarization can be deliberately engineered. Experiments reveal tunability in both sign and magnitude of the spin polarization at the Fermi level, with maximum values obtained to date of 85% at low temperatures. In this paper we review the properties of Co{sub 1-x}Fe{sub x}S{sub 2} alloys, with an emphasis on properties of relevance to half-metallicity. Crystal structure, electronic structure, synthesis, magnetic properties, transport properties, direct probes of the spin polarization, and measurements of the total density of states at the Fermi level are all discussed. We conclude with a discussion of the factors that influence, or even limit, the spin polarization, along with a discussion of opportunities and problems for future investigation, particularly with regard to fundamental studies of spintronic devices.

Magnetoconductance of amorphous Yx-Si1-x alloys near the metal-insulator transition

International Nuclear Information System (INIS)

Sanquer, M.; Tourbot, R.; Boucher, B.

1989-01-01

We have performed magnetoresistance experiments across the Metal-Insulator transition in amorphous Y x -Si 1-x alloys using very high fields (H = 40T) and very low temperatures (T = 0.05K). Different and unusual behaviours are observed and can be explained assuming that the electron-electron interaction contribution dominates at low fields and localization corrections appears at very high fields. This is the opposite situation compared to usual weak localization regime

Thermo-physical characterization of the Fe_6_7Mo_6Ni_3_._5Cr_3_._5P_1_2C_5_._5B_2_._5 bulk metallic glass forming alloy

International Nuclear Information System (INIS)

Bochtler, Benedikt; Gross, Oliver; Gallino, Isabella; Busch, Ralf

2016-01-01

The iron-phosphorus based bulk metallic glass forming alloy Fe_6_7Mo_6Ni_3_._5Cr_3_._5P_1_2C_5_._5B_2_._5 is characterized with respect to its thermophysical properties, crystallization and relaxation behavior, as well as its viscosity. The alloy provides a high critical casting thickness of 13 mm, thus allowing for the casting of amorphous parts with a considerable size. Calorimetric measurements reveal the characteristic transformation temperatures, transformation enthalpies, and the specific heat capacity. The analyses show that no stable supercooled liquid region exists upon heating. The specific heat capacity data are used to calculate the enthalpy, entropy, and Gibbs free energy differences between the crystalline and the supercooled liquid state. The crystallization behavior of amorphous samples upon heating is analyzed by differential scanning calorimetry and X-ray diffraction, and a time-temperature-transformation diagram is constructed. Dilatometry is used to determine the thermal expansion behavior. The equilibrium viscosity below the glass transition as well as volume relaxation behavior are measured by three-point beam bending and dilatometry, respectively, to assess the kinetic fragility. With a kinetic fragility parameter of D* = 21.3, the alloy displays a rather strong liquid behavior. Viscosity above the melting point is determined using electromagnetic levitation in microgravity on a reduced gravity aircraft in cooperation with the German Aerospace Center (DLR). These high-temperature viscosity data are compared with the low-temperature three-point beam bending measurements. The alloy displays a strong liquid behavior at low temperatures and a fragile behavior at high temperatures. These results are analogous to the ones observed in several Zr-based bulk metallic glass forming liquids, indicating a strong to fragile liquid-liquid transition in the undercooled liquid, which is obscured by crystallization.

Compressibility of Ir-Os alloys under high pressure

International Nuclear Information System (INIS)

Yusenko, Kirill V.; Bykova, Elena; Bykov, Maxim; Gromilov, Sergey A.; Kurnosov, Alexander V.; Prescher, Clemens; Prakapenka, Vitali B.; Hanfland, Michael; Smaalen, Sander van; Margadonna, Serena; Dubrovinsky, Leonid S.

2015-01-01

Highlights: • fcc- and hcp-Ir-Os alloys were prepared from single-source precursors. • Their atomic volumes measured at ambient conditions using powder X-ray diffraction follow nearly linear dependence. • Compressibility of alloys have been studied up to 30 GPa at room temperature in diamond anvil cells. • Their bulk moduli increase with increasing osmium content. - Abstract: Several fcc- and hcp-structured Ir-Os alloys were prepared from single-source precursors in hydrogen atmosphere at 873 K. Their atomic volumes measured at ambient conditions using powder X-ray diffraction follow nearly linear dependence as a function of composition. Alloys have been studied up to 30 GPa at room temperature by means of synchrotron-based X-ray powder diffraction in diamond anvil cells. Their bulk moduli increase with increasing osmium content and show a deviation from linearity. Bulk modulus of hcp-Ir 0.20 Os 0.80 is identical to that of pure Os (411 GPa) within experimental errors. Peculiarities on fcc-Ir 0.80 Os 0.20 compressibility curve indicate possible changes of its electronic properties at ∼20 GPa

Effect of high-order multicomponent on formation and properties of Zr-based bulk glassy alloys

Energy Technology Data Exchange (ETDEWEB)

Inoue, A., E-mail: ainouebmg@yahoo.co.jp [International Institute of Green Materials, Josai International University, Togane 283-8555 (Japan); School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Department of Physics, King Abdulaziz University, Jeddah 22254 (Saudi Arabia); Wang, Z.; Louzguine-Luzgin, D.V. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Han, Y. [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Kong, F.L. [International Institute of Green Materials, Josai International University, Togane 283-8555 (Japan); Shalaan, E.; Al-Marzouki, F. [Department of Physics, King Abdulaziz University, Jeddah 22254 (Saudi Arabia)

2015-07-25

Highlights: • A multicomponent Zr{sub 55}Al{sub 10}Fe{sub 6}Co{sub 6}Ni{sub 6}Cu{sub 6}Pd{sub 6}Ag{sub 5} bulk glassy alloy was formed. • The high-order multiplication suppression of the decrease in mechanical strength. • The BGAs show good corrosion resistance and slow growth rate of primary precipitates. - Abstract: We examined the formation, thermal stability, mechanical properties and corrosion behavior of a multicomponent Zr{sub 55}Al{sub 10}Fe{sub 6}Co{sub 6}Ni{sub 6}Cu{sub 6}Pd{sub 6}Ag{sub 5} bulk glassy alloy, with the aim of clarifying the effect of high-order multiplication of the number of components on their properties. The bulk glassy alloy rods of 2 and 6 mm in diameter were formed by suction casting even at the low total content of typical glass-forming 3-d late transition metals like Co, Ni and Cu. The Vickers hardness is different in the center region and in the outer surface region. The difference seems to reflect the relaxation level of glassy structure. The Young’s modulus and the compressive fracture strength are nearly the same for the base Zr{sub 55}Al{sub 10}Ni{sub 5}Cu{sub 30} alloy in spite of the existence of immiscible atomic pairs. Moreover, the multicomponent alloy exhibits better corrosion resistance than that for the base alloy. The glassy phase changes to a supercooled liquid state at 720 K and then starts to crystallize at 754 K with a single exothermic peak, in contrast to the appearance of a wide supercooled liquid region for the base alloy. The primary crystalline phase precipitates with very short incubation time and very low growth rate, which are different from those for the base alloy. The extremely low growth rate of the crystallites is presumably due to the reduction of diffusivity of late transition metal elements resulting from multiplication. Thus, the high-order multiplication has the features of (1) the maintenance of high glass-forming ability even at the lower Co, Ni and Cu content and in the absence of

A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

Science.gov (United States)

2017-03-28

AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal...Air Force Research Laboratory for accurately predicting compositions of new amorphous alloys specifically based on aluminium with properties superior

Comparative study of the microstructures and mechanical properties of direct laser fabricated and arc-melted Al{sub x}CoCrFeNi high entropy alloys

Energy Technology Data Exchange (ETDEWEB)

Joseph, Jithin, E-mail: jithin@deakin.edu.au [Institute for Frontier Materials, Deakin University, Waurn Ponds 3216 (Australia); Jarvis, Tom; Wu, Xinhua [Monash Centre for Additive Manufacturing, Monash University, Clayton 3168 (Australia); Stanford, Nicole; Hodgson, Peter; Fabijanic, Daniel Mark [Institute for Frontier Materials, Deakin University, Waurn Ponds 3216 (Australia)

2015-05-01

High entropy alloys (HEA) are a relatively new metal alloy system that have promising potential in high temperature applications. These multi-component alloys are typically produced by arc-melting, requiring several remelts to achieve chemical homogeneity. Direct laser fabrication (DLF) is a rapid prototyping technique, which produces complex components from alloy powder by selectively melting micron-sized powder in successive layers. However, studies of the fabrication of complex alloys from simple elemental powder blends are sparse. In this study, DLF was employed to fabricate bulk samples of three alloys based on the Al{sub x}CoCrFeNi HEA system, where x was 0.3, 0.6 and 0.85 M fraction of Al. This produced FCC, FCC/BCC and BCC crystal structures, respectively. Corresponding alloys were also produced by arc-melting, and all microstructures were characterised and compared longitudinal and transverse to the build/solidification direction by x-ray diffraction, glow discharge optical emission spectroscopy and scanning electron microscopy (EDX and EBSD). Strong similarities were observed between the single phase FCC and BCC alloys produced by both techniques, however the FCC/BCC structures differed significantly. This has been attributed to a difference in the solidification rate and thermal gradient in the melt pool between the two different techniques. Room temperature compression testing showed very similar mechanical behaviour and properties for the two different processing routes. DLF was concluded to be a successful technique to manufacture bulk HEA's.

Quantitative description of the magnetization curves of amorphous alloys of the series a-DyxGd1-xNi

International Nuclear Information System (INIS)

Barbara, B.; Filippi, J.; Amaral, V.S.

1992-01-01

The magnetization curves of the series of amorphous alloys Dy x Gd 1-x Ni measured between 1.5 and 4.2 K and up to 15 T, have been fitted to the zero kelvin analytical model of Chudnovsky. The results of these fits allow a detailed understanding of the magnetization curves of amorphous alloys with ferromagnetic interactions. In particular, the ratio D/J of the local anisotropy and exchange energies, and the magnetic and atomic correlation lengths, are accurately determined. (orig.)

Thermal plasma synthesis of Fe1−xNix alloy nanoparticles

International Nuclear Information System (INIS)

Raut, Suyog A.; Kanhe, Nilesh S.; Bhoraskar, S. V.; Mathe, V. L.; Das, A. K.

2014-01-01

Fe-Ni alloy nanoparticles are of great interest because of diverse practical applications in the fields such as magnetic fluids, high density recording media, catalysis and medicine. We report the synthesis of Fe-Ni nanoparticles via thermal plasma route. Thermal plasma assisted synthesis is a high temperature process and gives high yields of production. Here, we have used direct arc thermal plasma plume of 6kw as a source of energy at operating pressure 500 Torr. The mixture of Fe-Ni powder in required proportion (Fe 1−x Ni x ; x=0.30, 0.32, 0.34, 0.36, 0.38 and 0.40) was made to evaporate simultaneously from the graphite anode in thermal plasma reactor to form Fe-Ni bimetallic nanoparticles. The as synthesized particles were characterized by X-Ray Diffraction (XRD), Thermo-Gravimetric Analysis/Differential Scanning Calorimtry (TGA/DSC)

The surface of 1-euro coins studied by X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Gou, F.; Gleeson, M.A.; Villette, J.; Kleyn, S.E.F.; Kleyn, A.W.

2004-01-01

The two alloy surfaces (pill and ring) that are present on 1-euro coins have been studied by X-ray photoelectron spectroscopy (XPS). Comparison is made between coins from general circulation and coin surfaces that have been subjected to a variety of cleaning and oxidation treatments. The concentrations and possible oxidation states of the metals (nickel, copper and zinc) at the surface were derived from analysis of the 2p 3/2 core levels. The surface atomic ratios measured for the pill and the ring parts of the euro coins were compared to the official bulk ratios. This study shows a clear nickel enrichment of both pill and ring surfaces. Nickel at surface seems to be present mainly in hydroxide form although the chloride form cannot be excluded. A small concentration of zinc was present on the surface of the pill, even though it is not present in the bulk alloy. Evidence of both nickel and zinc surface enrichment is observed for the ring. No surface enrichment is observed for the atomically clean or oxidized alloy surfaces over a 60-h time scale

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed; Goumri-Said, Souraya

2014-01-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed

2014-09-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Hydrogen isotope storage behavior of Zr1-xTixCo alloys

International Nuclear Information System (INIS)

Jat, Ram Avtar; Pati, Subhasis; Parida, S.C.; Agarwal, Renu; Mukerjee, S.K.

2016-01-01

Tritium storage properties similar to uranium make ZrCo as a suitable candidate material for storage, supply and recovery of hydrogen isotopes in various tritium facilities. Beside non-radioactive, nonpyrophoric at room temperature and higher storage capacity (H/f.u. up to 3, f.u. = ZrCo), it has been reported that upon repeated hydriding-dehydriding cycles, ZrCo undergoes dis-proportionation as per the reaction; ZrCo + H 2 ↔ ZrH 2 + ZrCo 2 . The present study is aimed to investigate the effect of Ti content on the hydrogen storage behavior of Zr 1-x Ti x Co alloys and the hydrogen isotope effect

Amorphization and crystallization of Zr{sub 66.7-x}Cu{sub 33.3}Nb{sub x} (x = 0, 2, 4) alloys during mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Wang Yan [Key Laboratory of Liquid Structure and Heredity of Materials, Shandong University, 73 Jingshi Road, Jinan 250061 (China); School of Materials Science and Engineering, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Chen Xiuxiu [School of Materials Science and Engineering, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Geng Haoran [School of Materials Science and Engineering, University of Jinan, 106 Jiwei Road, Jinan 250022 (China)], E-mail: mse_wangy@ujn.edu.cn; Yang Zhongxi [Key Laboratory of Liquid Structure and Heredity of Materials, Shandong University, 73 Jingshi Road, Jinan 250061 (China); School of Materials Science and Engineering, University of Jinan, 106 Jiwei Road, Jinan 250022 (China)

2009-04-17

In the present paper, the effect of Nb and different rotation speeds on the amorphization and crystallization of Zr{sub 66.7-x}Cu{sub 33.3}Nb{sub x} (x = 0, 2, 4) alloys during mechanical alloying has been investigated using X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and differential scanning calorimetry (DSC). The results show that the minor addition of Nb can shorten the start time of the amorphization reaction, improve the glass forming ability of Zr-Cu alloys, but cannot promote the formation of a single amorphous phase at a lower rotation speed of 200 rpm. The glass forming ability of the Zr{sub 66.7-x}Cu{sub 33.3}Nb{sub x} (x = 0, 2, 4) alloys increases with increasing Nb additions. At a higher rotation speed of 350 rpm, a single amorphous phase of Zr{sub 66.7-x}Cu{sub 33.3}Nb{sub x} (x = 0, 2, 4) can be successfully fabricated. Moreover, the Nb addition into Zr-Cu alloys can accelerate the amorphization process and improve the stability of the amorphous phase against the mechanically induced crystallization. Furthermore, the amorphous Zr{sub 66.7}Cu{sub 33.3} phase gradually transforms into a metastable fcc-Zr{sub 2}Cu phase with increasing milling time.

Temperature dependence of diffuse satellites in Ti–(50 − x)Pd–xFe (14 ⩽ x ⩽ 20 (at.%)) alloys

International Nuclear Information System (INIS)

Todai, Mitsuharu; Fukuda, Takashi; Kakeshita, Tomoyuki

2014-01-01

Highlights: • Diffuse satellites of Ti–(50 − x)Pd–xFe alloys have been investigated. • Diffuse satellites appear at g B2 + 〈ζζ ¯ 0〉 * below T min . • The peak position of diffuse satellites at T min agree with the length of the nesting vector. • The present result implies that the nesting effect of Fermi surface originates diffuse satellites in Ti–(50 − x)Pd–xFe alloys. - Abstract: Diffuse satellites appearing in electron diffraction pattern of shape memory Ti–(50 − x)Pd–xFe (14, 16, 18, 19 and 20, in at.%) alloys have been investigated. The satellites appear in each alloy below T min , where its electrical resistivity shows a local minimum. The positions of satellites are g B2 + 〈ζ ζ ¯ 0〉 * , where g B2 is a reciprocal lattice vector of the B2-phase. The value of ζ is smaller than 1/5 at T min for all the alloys; it increases with decreasing temperature and decreases with increasing iron content. The value of ζ at T min agrees with the length of the nesting vector previously calculated by the present authors. This result implies that Fermi surface nesting is the origin of diffuse satellites in Ti–(50 − x)Pd–xFe alloys

Structural evolution of Cu{sub (1−X)}Y{sub X} alloys prepared by mechanical alloying: Their thermal stability and mechanical properties

Energy Technology Data Exchange (ETDEWEB)

Mula, Suhrit, E-mail: smulafmt@iitr.ernet.in [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee, Roorkee 247667 (India); Setman, Daria [Physics of Nanostructured Materials, University of Vienna, Boltzmanngasse 5, A-1090 Wien (Austria); Youssef, Khaled [Department of Materials Science and Technology, Qatar University, P.O. Box 2713, Doha (Qatar); Scattergood, R.O.; Koch, Carl C [Department of Materials Science and Engineering, NC State University, Raleigh, NC 27695 (United States)

2015-04-05

Highlights: • Metastable solid solutions were prepared from Cu–Y nonequilibrium compositions by mechanical alloying. • Gibbs free energy change as per Miedema’s model confirms the formation of metastable alloys. • High Y content alloys showed high thermal stability during extensive annealing at high temperatures. • Stabilized alloys showed very high hardness and improved yield strength. • Mechanisms of high thermal stability and improved mechanical properties were discussed. - Abstract: In the present study, an attempt has been made to synthesize copper based disordered solid solutions by mechanical alloying (MA) of non-equilibrium compositions. The blended compositions of Cu–1% Y, Cu–3% Y, Cu–5% Y and Cu–7.5% Y (at.%) (all the compositions will be addressed as % only hereafter until unless it is mentioned) were ball-milled for 8 h, and then annealed at different temperatures (200–800 °C) for different length of duration (1–5 h) under high purity argon + 2 vol.% H{sub 2} atmosphere. X-ray diffraction (XRD) analysis and Gibbs free energy change calculation confirm the formation of disordered solid solution (up to 7.5%) of Y in Cu after milling at a room temperature for 8 h. The XRD grain size was calculated to be as low as 7 nm for 7.5% Y and 22 nm for 1% Y alloy. The grain size was retained within 35 nm even after annealing for 1 h at 800 °C. Transmission electron microscopy (TEM) analysis substantiates the formation of ultra-fine grained nanostructures after milling. Microhardness value of the as-milled samples was quite high (3.0–4.75 GPa) compared to that of pure Cu. The hardness value increased with increasing annealing temperatures up to 400 °C for the alloys containing 3–7.5% Y, and thereafter it showed a decreasing trend. The increase in the hardness after annealing is attributed to the formation of uniformly distributed ultrafine intermetallic phases in the nanocrystalline grains. The stabilization effect is achieved due to

Potentiodynamic polarization studies of bulk amorphous alloy Zr57Cu15.4Ni12.6Al10Nb5 and Zr59Cu20Ni8Al10Ti3 in aqueous HNO3 media

International Nuclear Information System (INIS)

Sharma, Poonam; Dhawan, Anil; Jayraj, J.; Kamachi Mudali, U.

2013-01-01

The potentiodynamic polarization studies were carried out on Zr based bulk amorphous alloy Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 and Zr 59 Cu 20 Ni 8 Al 10 Ti 3 in solutions of 1 M, 6 M and 11.5 M HNO 3 aqueous media at room temperature. As received specimens of Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 (5 mm diameter rod) and Zr 59 Cu 20 Ni 8 Al 10 Ti 3 (3 mm diameter rod) were polished with SiC paper before testing them for potentiodynamic polarization studies. The amorphous nature of the specimens was checked by X-ray diffraction. The bulk amorphous alloy Zr 59 Cu 20 Ni 8 Al 10 Ti 3 shows the better corrosion resistance than Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 alloy in the aqueous HNO 3 media as the value of the corrosion current density (I corr ) for Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 alloy were found to be more than Zr 59 Cu 20 Ni 8 Al 10 Ti 3 alloy in aqueous HNO 3 media. The improved corrosion resistance of Zr 59 Cu 20 Ni 8 Al 10 Ti 3 alloy is possibly due to the presence of Ti and formation of TiO 2 during anodic oxidation. Both Zr based bulk amorphous alloys shows wider passive range at lower concentration of nitric acid and the passive region gets narrowed down with the increase in concentration. A comparison of data obtained from both the Zr-based bulk amorphous alloys is made and results are discussed in the paper. (author)

A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

Energy Technology Data Exchange (ETDEWEB)

Huang, Y.J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Shen, J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)]. E-mail: junshen@hit.edu.cn; Sun, J.F. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Yu, X.B. [Lab of Energy Science and Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)]. E-mail: yuxuebin@hotmail.com

2007-01-16

The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 42.5-x}Ni{sub 7.5}Si{sub 1}Sn {sub x} (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} alloy. The activation energies for glass transition and crystallization for Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} alloy also possesses superior mechanical properties.

Alloying effect on K shell X-ray fluorescence cross-sections and yields in Ti-Ni based shape memory alloys

Directory of Open Access Journals (Sweden)

Bünyamin Alım

2018-04-01

Full Text Available K shell X-ray fluorescence cross-sections (σKα, σKβ and σK, and K shell fluorescence yields (ωK of Ti, Ni both in pure metals and in different alloy compositions (TixNi1-x; x = 0.3, 0.4, 0.5, 0.6, 0.7 were measured by using energy dispersive X-ray fluorescence (EDXRF technique. The samples were excited by 22.69 keV X-rays from a 10 mCi Cd-109 radioactive point source and K X rays emitted by samples were counted by a high resolution Si(Li solid-state detector coupled to a 4 K multichannel analyzer (MCA. The alloying effects on the X-ray fluorescence (XRF parameters of Ti-Ni shape memory alloys (SMAs were investigated. It is clearly observed that alloying effect causes to change in K shell XRF parameter values in Ti-Ni based SMAs for different compositions of x. Also, the present investigation makes it possible to perform reliable interpretation of experimental σKα, σKβ and ωK values for Ti and Ni in SMAs and can also provide quantitative information about the changes of K shell X-ray fluorescence cross sections and fluorescence yields of these metals with alloy composition. Keywords: Alloying effect, XRF, K X-ray fluorescence cross-section, K shell fluorescence yield, Shape memory alloy

Study of the magnetic properties of the Ce{sub x} La{sub 1−x} Pt alloy system: Which interaction establishes ferromagnetism in Kondo systems?

Energy Technology Data Exchange (ETDEWEB)

Očko, M., E-mail: ocko@ifs.hr [Institute of Physics, Bijenička c 46, 10000 Zagreb (Croatia); Center of Excellence for Advanced Materials and Sensing Devices, Ruđer Bošković Institute, Bijenička c. 54, Zagreb (Croatia); Zadro, K. [Department of Physics, University of Zagreb, Bijenička c. 32, 10000 Zagreb (Croatia); Drobac, Đ.; Aviani, I.; Salamon, K. [Institute of Physics, Bijenička c 46, 10000 Zagreb (Croatia); Mixson, D.; Bauer, E.D.; Sarrao, J.L. [Los Alamos National Laboratory, Mail Stop K 764, Los Alamos, NM 87545 (United States)

2016-11-01

In order to study Kondo ferromagnetism, particularly of the CePt compound, we investigate the magnetic properties of the Ce{sub x}La{sub 1−x}Pt alloy system in the temperature range from 1.8 K to 320 K. The results of these investigations can be summarized as follows: dc-susceptibility can be described by the Curie–Weiss law at higher temperatures down to about 100 K, but also at the low temperatures above the phase transition. At higher temperatures, the extracted Curie–Weiss constant, θ{sub p}, is negative in contrast to the low temperatures, where θ{sub C} is positive. The extracted effective magnetic moment from the higher temperatures is the same for all the alloys and is close to the theoretical value of the isolated Ce{sup 3+} ion, μ=2.54 μ{sub B}, indicating the hybridization is weak and, and consequently, Kondo interaction is weak. These observations confirm the main important conclusions inferred from an earlier transport properties investigation of this alloy system. The Curie temperature extracted by various approaches was compared to the extraction from the ac-susceptibility measurements. We show that its concentration dependence is not consistent with Doniach's diagram. Hence, RKKY interaction is not responsible for the ferromagnetism in this alloy system. - Highlights: • We have found that for Ce{sub x}La{sub 1−x}Pt the temperature of the ferromagnetic transition linearly depends on x. • The Kondo temperature is independent of x. • Hence, RKKY interaction is not responsible for the ferromagnetism. • The lattice parameters show that direct exchange interaction is possible. • We expect that the investigations of Ce{sub x}Y{sub 1−x} will confirm our conclusions.

First-principles calculations of structural, electronic and optical properties of CdxZn1-xS alloys

KAUST Repository

Noor, Naveed Ahmed

2010-10-01

Structural, electronic and optical properties of ternary alloy system CdxZn1-xS have been studied using first-principles approach based on density functional theory. Electronic structure, density of states and energy band gap values for CdxZn1-xS are estimated in the range 0 ≤ x ≤ 1 using both the standard local density approximation (LDA) as well as the generalized gradient approximations (GGA) of Wu-Cohen (WC) for the exchange-correlation potential. It is observed that the direct band gap EgΓ-Γ of CdxZn1-xS decreases nonlinearly with the compositional parameter x, as observed experimentally. It is also found that Cd s and d, S p and Zn d states play a major role in determining the electronic properties of this alloy system. Furthermore, results for complex dielectric constant ε(ω), refractive index n(ω), normal-incidence reflectivity R(ω), absorption coefficient α(ω) and optical conductivity σ(ω) are also described in a wide range of the incident photon energy and compared with the existing experimental data. © 2010 Elsevier B.V. All rights reserved.

Crystallization in Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass under pressure

DEFF Research Database (Denmark)

Jiang, Jianzhong; Zhou, T.J.; Rasmussen, Helge Kildahl

2000-01-01

The effect of pressure on the crystallization behavior of the bulk metallic glass-forming Zr41.2Ti13.8Cu12.5Ni10Be22.5 alloy with a wide supercooled liquid region has been investigated by in situ high-pressure and high-temperature x-ray powder diffraction measurements using synchrotron radiation......)], reporting a decrease of the crystallization temperature under pressure in a pressure range of 0-6 GPa for the bulk glass Zr41Ti14Cu12.5Ni9Be22.5C1 alloy. Compressibility with a volume reduction of approximately 22% at room temperature does not induce crystallization in the Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk...... glass alloy. This indicates that the densification effect induced by pressure in the pressure range investigated plays a minor role in the crystallization behavior of this bulk glass alloy. The different crystallization behavior of the carbon-free and the carbon-containing glassy alloys has been...

Effect of alloying composition on low-cycle fatigue properties and microstructure of Fe–30Mn–(6−x)Si–xAl TRIP/TWIP alloys

Energy Technology Data Exchange (ETDEWEB)

Nikulin, Ilya, E-mail: nikulin.i.a@gmail.com [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Belgorod State University, Pobeda 85, Belgorod 308015 (Russian Federation); Sawaguchi, Takahiro [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Tsuzaki, Kaneaki [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan)

2013-12-10

The change in low-cycle fatigue (LCF) properties and deformation microstructure due to the alteration of aluminum and silicon contents was studied in relation with the tensile properties in Fe–30Mn–(6−x)Si–xAl (x=0, 1, 2, 3, 4, 5, 6 wt%) alloys, which are high-Mn austenitic TRIP/TWIP alloys. Austenite to ε-martensite transformation took place during LCF deformation in the TRIP alloys with x≤2 while mechanical twinning was not observed by electron-backscattering diffraction (EBSD) analysis in the TWIP alloys with x>2 after LCF deformation. The fatigue resistance of the alloys was shown to be correlated with the tensile proof strength and the hardening rate. Superior fatigue life of 8×10{sup 3} cycles at a total strain range Δε=2% was found in the Fe–30Mn–4Si–2Al TRIP alloy with a low fraction of ε-martensite, high tensile proof strength and low hardening rate at both tensile and fatigue deformations. On the other hand, a considerable decrease in the fatigue properties was observed in the alloys with decreasing proof strength and increasing hardening rate. Proof strength provided by the solid solution of Al and Si, represents the hampering of plastic deformation, and the hardening rate reflects the strain reversibility affected by the stacking fault energy (SFE) through the rate of austenite to martensite transformation in the TRIP alloys and the substructure formation in the TWIP alloys.

Polaronic transport and thermoelectricity in Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2)

Science.gov (United States)

Liu, Yu; Kang, Chang-Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, G.; Petrovic, C.

2018-04-01

We report a study of Co-doped berthierite Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2). The alloy series of Fe1 -xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ˜270 meV ), and thermopower, ES (47 ˜108 meV ), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x =0 ) exhibit a broad antiferromagnetic transition (TN=46 K ) followed by an additional weak transition (T*=50 K ). Transition temperatures (TN and T*) slightly decrease with increasing Co content x . This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1 -xCoxSb2S4 shows relatively high value of thermopower (up to ˜624 μ V K-1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.

Viscous behavior of (Sn61.9Pb38.1)100-xREx (x=0, 0.1, 0.3, 1 wt%) solder alloys

International Nuclear Information System (INIS)

Wu Yuqin; Bian Xiufang; Zhao Yan; Li Xuelian; Zhang Yanning; Tian Yongsheng; Lv Xiaoqian

2008-01-01

The viscous behavior of (Sn 61.9 Pb 38.1 ) 100-x RE x (x=0, 0.1, 0.3, 1 wt%) solder alloys has been investigated by a torsional oscillation viscometer. The structural transition temperature T ' increases with increasing addition of RE elements. Above T ' , the viscosities of melts increase with increasing addition of RE, and are fitted well with the Arrhenius equation. The time dependence of viscosity at the measured temperature below T ' follows the exponential relaxation function and reflects the process of the structural transition in the melt, which can be considered as the thermodynamic equilibrium process. The thermodynamic equilibrium relaxation time τ eq increases with both the equilibrium viscosity η eq and the discrepancy in viscosity (Δη), between the initial state and the equilibrium state. However, it decreases with the measured temperature T. The size of clusters in the melts increases with increasing of viscosity and is restricted by the thermodynamic equilibrium conditions

Wetting behavior of molten In-Sn alloy on bulk amorphous and crystalline Cu40Zr44Al8Ag8

International Nuclear Information System (INIS)

Ma, G. F.; Zhang, H. F.; Li, H.; Hu, Z. Q.

2007-01-01

Using the sessile-drop method, the wettability of the molten In-Sn alloy on bulk amorphous and crystalline Cu 40 Zr 44 Al 8 Ag 8 alloy was studied at different temperatures. It was found that the equilibrium contact angle of In-Sn alloy melt on bulk amorphous substrate was smaller than that of the crystalline one. An intermetallic compound existed at the interface of In-Sn alloy on amorphous Cu 40 Zr 44 Al 8 Ag 8 , while no intermediate reaction layer was formed at the interface of In-Sn alloy on crystalline Cu 40 Zr 44 Al 8 Ag 8 in the temperature range studied

Irradiation-induced microstructural changes in alloy X-750

International Nuclear Information System (INIS)

Kenik, E.A.

1997-01-01

Alloy X-750 is a nickel base alloy that is often used in nuclear power systems for it's excellent corrosion resistance and mechanical properties. The present study examines the microstructure and composition profiles in a heat of Alloy X-750 before and after neutron irradiation

Antisite-defect-induced surface segregation in ordered NiPt alloy

DEFF Research Database (Denmark)

Pourovskii, L.V.; Ruban, Andrei; Abrikosov, I.A.

2003-01-01

alloys corresponds to the (111) truncation of the bulk L1(0) ordered structure. However, the (111) surface of the nickel deficient Ni49Pt51 alloy is strongly enriched by Pt and should exhibit the pattern of the 2x2 structure. Such a drastic change in the segregation behavior is due to the presence...

Glass formation ability, structure and magnetocaloric effect of a heavy rare-earth bulk metallic glassy Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy

Energy Technology Data Exchange (ETDEWEB)

Jo, C.-L. [Shanghai University, School of Materials Science and Engineering, Yanchang Road 149, Zhabei District, 200072 Shanghai (China)], E-mail: jochollong@163.com; Xia Lei; Ding Ding; Dong Yuanda; Gracien, Ekoko [Shanghai University, School of Materials Science and Engineering, Yanchang Road 149, Zhabei District, 200072 Shanghai (China)

2008-06-30

The glass formation ability, the structure and the magnetocaloric effect of the bulk metallic glassy Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy were investigated. Bulk metallic glassy (BMGs) alloys were prepared by a copper-mold casting method. The glass forming ability and their structure were studied by using X-ray diffraction (XRD) and differential scanning calorimeter (DSC). The XRD analysis revealed that the as-cast cylinder of Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy showed fully amorphous structure in 2 mm diameter. The DSC revealed that the bulk cylinder of the Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy showed a distinct glass transition temperature and a relatively wide supercooled liquid region before crystallization. SQUID investigated the magnetic properties and the entropy changes. The Curie temperature of Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} BMGs alloy was about 130 K, but the maximum magnetic entropy changes(-{delta}S{sub M}) showed at about 125 K, a little lower than the Curie temperature 130 K. The reason could probably be due to the presence of a little amount of nanocrystalline particles between amorphous phases. The BMG alloy has the characteristic of second-order transition (SOT) on Arrott plots. The results showed that the amorphous sample had a relatively improved magnetocaloric effect, indicating that the amorphous alloy could be considered as a candidate for magnetic refrigeration applications in the temperature interval range of 100-200 K.

First principles examination of electronic structure and optical features of 4H-GaN1-xPx polytype alloys

Science.gov (United States)

Laref, A.; Hussain, Z.; Laref, S.; Yang, J. T.; Xiong, Y. C.; Luo, S. J.

2018-04-01

By using first-principles calculations, we compute the electronic band structures and typical aspects of the optical spectra of hexagonally structured GaN1-xPx alloys. Although a type III-V semiconductor, GaP commonly possesses a zinc-blende structure with an indirect band gap; as such, it may additionally form hexagonal polytypes under specific growth conditions. The electronic structures and optical properties are calculated by combining a non-nitride III-V semiconductor and a nitride III-V semiconductor, as GaP and GaN crystallizing in a 4H polytype, with the N composition ranging between x = 0-1. For all studied materials, the energy gap is found to be direct. The optical properties of the hexagonal materials may illustrate the strong polarization dependence owing to the crystalline anisotropy. This investigation for GaN1-xPx alloys is anticipated to supply paramount information for applications in the visible/ultraviolet spectral regions. At a specific concentration, x, these alloys would be exclusively appealing candidates for solar-cell applications.

Impact of Mg content on native point defects in Mg{sub x}Zn{sub 1−x}O (0 ≤ x ≤ 0.56)

Energy Technology Data Exchange (ETDEWEB)

Perkins, J.; Foster, G. M. [Department of Physics, The Ohio State University, 191 West Woodruff Ave., Columbus, Ohio 43210 (United States); Myer, M.; Mehra, S. [Columbus School for Girls, 56 S. Columbia Ave., Columbus, Ohio 43209 (United States); Chauveau, J. M. [Centre de Recherche sur l’Hetero-Epitaxie et ses Applications, Centre National de la Recherche Scientifique (CRHEA-CNRS), Rue B. Gregory, F-06560 Valbonne Sophia Antipolis (France); University of Nice Sophia Antipolis, Parc Valrose, F-06102 Nice Cedex 2 (France); Hierro, A. [Dpto. Ingeniería Electrónica and ISOM, Universidad Politécnica de Madrid, Ciudad Universitaria s/n, 28040 Madrid (Spain); Redondo-Cubero, A. [Dpto. Física Aplicada y Centro de Micro-Análisis de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Windl, W. [Department of Materials Science and Engineering, The Ohio State University, 2041 College Road N., Columbus, Ohio 43210 (United States); Brillson, L. J., E-mail: brillson.1@osu.edu [Department of Physics, The Ohio State University, 191 West Woodruff Ave., Columbus, Ohio 43210 (United States); Department of Electrical and Computer Engineering, The Ohio State University, 2015 Neil Avenue, Columbus, Ohio 43210-1272 (United States); Center for Materials Research, The Ohio State University, Columbus, Ohio 43210 (United States)

2015-06-01

We used depth-resolved cathodoluminescence spectroscopy and surface photovoltage spectroscopy to measure the densities, energy levels, and spatial distributions of zinc/magnesium cation and oxygen vacancies in isostructural, single-phase, non-polar Mg{sub x}Zn{sub 1−x}O alloys over a wide (0 ≤ x ≤ 0.56) range. Within this wide range, both defect types exhibit strong Mg content-dependent surface segregation and pronounced bulk density minima corresponding to unit cell volume minima, which can inhibit defect formation due to electrostatic repulsion. Mg in ZnO significantly reduces native defect densities and their non-polar surface segregation, both major factors in carrier transport and doping of these oxide semiconductors.

Development of nanotopography during SIMS characterization of thin films of Ge{sub 1−x}Sn{sub x} alloy

Energy Technology Data Exchange (ETDEWEB)

Secchi, M., E-mail: secchi@fbk.eu [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy); Department of Physics, University of Trento, Via Sommarive 14, 38123 Trento (Italy); Demenev, E. [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy); Department of Molecular Science and Nanosystems, Ca’Foscari University, Dorsoduro 2137, 30123 Venice (Italy); Colaux, J.L. [Ion Beam Centre, Advanced Technology Institute, University of Surrey, Guildford GU2 7XH, Surrey, England (United Kingdom); Giubertoni, D.; Dell’Anna, R.; Iacob, E. [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy); Gwilliam, R.M.; Jeynes, C. [Ion Beam Centre, Advanced Technology Institute, University of Surrey, Guildford GU2 7XH, Surrey, England (United Kingdom); Bersani, M. [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy)

2015-11-30

Highlights: • SIMS protocol to measure high Sn concentration in GeSn alloy is proposed. • Cs{sup +} as incidence beam, collecting positive ions MCs{sup +} was the chosen configuration. • Applied sputtering conditions induced an early formation of surface topography. • Unusual dot and ripple evolution at oblique incidence angle on Ge were studied. • Two different mechanisms seem to be involved: ripple formation and nanovoids in Ge. - Abstract: This work presents a study of application of secondary ion mass spectrometry (SIMS) to measure tin concentration in Ge{sub 1−x}Sn{sub x} alloy with x higher than solid solubility ∼1%, i.e. well above the diluted regime where SIMS measurements usually provide the most reliable quantitative results. SIMS analysis was performed on Sn{sup +} ion implanted Ge films, epitaxially deposited on Si, and on chemical vapor deposition deposited Ge{sub 0.93}Sn{sub 0.07} alloy. Three SIMS conditions were investigated, varying primary beam ion species and secondary ion polarity keeping 1 keV impact energy. Best depth profile accuracy, best agreement with the fluences measured by Rutherford backscattering spectrometry, good detection limit (∼1 × 10{sup 17} at/cm{sup 3}) and depth resolution (∼2 nm/decade) are achieved in Cs{sup +}/SnCs{sup +} configuration. However, applied sputtering conditions (Cs{sup +} 1 keV, 64° incidence vs. normal) induced an early formation of surface topography on the crater bottom resulting in significant variation of sputtering yield. Atomic force microscopy shows a peculiar topography developed on Ge: for oblique incidence, a topography consisting in a sequence of dots and ripples was observed on the crater bottom. This behavior is unusual for grazing incidence and has been observed to increase with the Cs{sup +} fluence. Rotating sample during sputtering prevents this ripple formation and consequently improves the depth accuracy.

A study on the shape memory characteristics of Ti-Ni50-x-Pdx alloys

International Nuclear Information System (INIS)

Lee, H. W.; Chun, B. S.; Oh, S. J.; Kuk, I.H.

1991-01-01

The shape memory characteristics in TiNi alloys are greatly effected by the alloy composition and heat treatment condition. The present work was aimed to investigate the effect of Pd x (x=5,10,15,20) addition on the shape memory chracteristics of TiNi alloys by means of electrical resistance measurement. X-ray diffraction, differential scanning calorimetry and electron dispersive analysis X-ray measurement. The results obtained from this study are as follows; 1. The martensitic transformation start temperature, Ms of Ti-Ni 50-x -Pd x alloys decreased considerably with the increase of Pd content up to 10at%, whereas increased largely with the increase of Pd content in the alloys with Pd content more than 15at%. 2. The Ms temperature of Ti-Ni 50-x -Pd x alloys with cold working was significantly lower than that of the fully annealed alloys because high density dislocation has been introduced by the cold working which suppressed the martensitic transformation. (Author)

Chemical pressure induced change in multiferroicity of Bi{sub 1+2x}Gd{sub 2x/2}Fe{sub 1−2x}O{sub 3} bulk ceramics

Energy Technology Data Exchange (ETDEWEB)

Pradhan, S.K. [Institute of Materials Science, Bhubaneswar 751013 Odisha (India); Center for Materials Research, Norfolk State University, Norfolk (United States); Sahu, D.R., E-mail: diptirs@yahoo.com [Institute of Materials Science, Bhubaneswar 751013 Odisha (India); Department of Natural and Applied Science, Namibia University of Science and Technology, Windhoek (Namibia); Rout, P.P.; Das, S.K. [Institute of Materials Science, Bhubaneswar 751013 Odisha (India); Pradhan, A.K. [Center for Materials Research, Norfolk State University, Norfolk (United States); Srinivasu, V.V. [Department of Physics, University of South Africa (South Africa); Roul, B.K., E-mail: ims@iopb.res.in [Institute of Materials Science, Bhubaneswar 751013 Odisha (India)

2017-04-01

We have optimized Gd ion substitution in BiFeO{sub 3} (BFO) and observed prominently change in structural, electrical and magnetic behavior of Bi{sub 1+2x}Gd{sub 2x/2}Fe{sub 1−2x}O{sub 3} ceramics synthesized through slow step sintering schedule. It is observed that with the increase in concentration of Gd (x=0.1), original structure of BFO is transformed from rhombohedral R3c space group to orthorhombic Pn21a space group. Surprisingly, unit cell volume is drastically contracted (35% for x=0.2) and the sintered specimen showed enhanced room temperature ferromagnetic behavior although the original BFO is normally G-type antiferromagnetic in nature at 643 K. It is expected that intrinsic chemical pressure within the bulk body built by the substitution of Gd in presence of excess bismuth greatly supported through unidirectional movement of electrical dipole moment with in each individual domain as a result of which suppression of leakage current with enhanced dielectric and ferroelectric hysteresis is observed.

Perpendicular magnetic anisotropy in Co{sub X}Pd{sub 100−X} alloys for magnetic tunnel junctions

Energy Technology Data Exchange (ETDEWEB)

Clark, B.D.; Natarajarathinam, A.; Tadisina, Z.R. [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487 (United States); Chen, P.J.; Shull, R.D. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Gupta, S., E-mail: Sgupta@eng.ua.edu [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487 (United States)

2017-08-15

Highlights: • CoPd alloy perpendicular anisotropy dependent on composition and thickness. • CIPT results show that TMR tracks with PMA of CoPd. • Potential replacement for Co/Pd multilayers. - Abstract: CoFeB/MgO-based perpendicular magnetic tunnel junctions (p-MTJ’s) with high anisotropy and low damping are critical for spin-torque transfer random access memory (STT-RAM). Most schemes of making the pinned CoFeB fully perpendicular require ferrimagnets with high damping constants, a high temperature-grown L1{sub 0} alloy, or an overly complex multilayered synthetic antiferromagnet (SyAF). We report a compositional study of perpendicular Co{sub x}Pd alloy-pinned Co{sub 20}Fe{sub 60}B{sub 20}/MgO based MTJ stacks, grown at moderate temperatures in a planetary deposition system. The perpendicular anisotropy of the Co{sub x}Pd alloy films can be tuned based on the layer thickness and composition. The films were characterized by alternating gradient magnetometry (AGM), energy-dispersive X-rays (EDX), and X-ray diffraction (XRD). Current-in-plane tunneling (CIPT) measurements have also been performed on the compositionally varied Co{sub x}Pd MTJ stacks. The Co{sub x}Pd alloy becomes fully perpendicular at approximately x = 30% (atomic fraction) Co. Full-film MTJ stacks of Si/SiO{sub 2}/MgO (13)/Co{sub X}Pd{sub 100−x} (50)/Ta (0.3)/CoFeB (1)/MgO (1.6)/CoFeB (1)/Ta (5)/Ru (10), with the numbers enclosed in parentheses being the layer thicknesses in nm, were sputtered onto thermally oxidized silicon substrates and in-situ lamp annealed at 400 °C for 5 min. CIPT measurements indicate that the highest TMR is observed for the CoPd composition with the highest perpendicular magnetic anisotropy.

Oxidation and surface segregation of chromium in Fe–Cr alloys studied by Mössbauer and X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Idczak, R.; Idczak, K.; Konieczny, R.

2014-01-01

The room temperature 57 Fe Mössbauer and XPS spectra were measured for polycrystalline iron-based Fe–Cr alloys. The spectra were collected using three techniques: the transmission Mössbauer spectroscopy (TMS), the conversion electron Mössbauer spectroscopy (CEMS) and the X-ray photoelectron spectroscopy (XPS). The combination of these experimental techniques allows to determine changes in Cr concentration and the presence of oxygen in bulk, in the 300 nm pre-surface layer and on the surface of the studied alloys

Superconductivity, magnetic susceptibility, and electronic properties of amorphous (Mo/sub 1-x/Ru/sub x/)80P20 alloys obtained by liquid quenching

International Nuclear Information System (INIS)

Johnson, W.L.; Poon, S.J.; Duwez, P.

1977-11-01

Results of x-ray diffraction, transmission electron diffraction, and crystallization studies on amorphous (Mo/sub 1-x/Ru/sub x/) 80 P 20 alloys obtained by liquid quenching are presented and discussed. The alloys are all found to be superconducting with transition temperatures ranging from approximately 3 0 K to approximately 9 0 K. The variation of T/sub c/ with alloy composition is compared to that obtained by Collver and Hammond for vapor quenched transition metal films. Results of magnetic susceptibility measurements are used to estimate the variation of the electronic density of states at the Fermi level, N(0), from the Pauli paramagnetic contribution. The relationship between the variation of T/sub c/ and N(0) is discussed in terms of the microscope theory of superconductivity. Finally, results of measurements of the upper critical field H/sub c2/, and the normal state electronic transport properties are presented and compared with recent theoretical models for amorphous superconductors

Magnetic x-ray linear dichroism of ultrathin Fe-Ni alloy films

Energy Technology Data Exchange (ETDEWEB)

Schumann, F.O.; Willis, R.F. [Pennsylvania State Univ., University Park, PA (United States); Goodman, K.W. [Lawrence Berkeley National Lab., CA (United States)] [and others

1997-04-01

The authors have studied the magnetic structure of ultrathin Fe-Ni alloy films as a function of Fe concentration by measuring the linear dichroism of the 3p-core levels in angle-resolved photoemission spectroscopy. The alloy films, grown by molecular-beam epitaxy on Cu(001) surfaces, were fcc and approximately four monolayers thick. The intensity of the Fe dichroism varied with Fe concentration, with larger dichroisms at lower Fe concentrations. The implication of these results to an ultrathin film analogue of the bulk Invar effect in Fe-Ni alloys will be discussed. These measurements were performed at the Spectromicroscopy Facility (Beamline 7.0.1) of the Advanced Light Source.

Formation and Applications of Bulk Glassy Alloys in Late Transition Metal Base System

International Nuclear Information System (INIS)

Inoue, Akihisa; Shen Baolong

2006-01-01

This paper reviews our recent results of the formation, fundamental properties, workability and applications of late transition metal (LTM) base bulk glassy alloys (BGAs) developed since 1995. The BGAs were obtained in Fe-(Al,Ga)-(P,C,B,Si), Fe-(Cr,Mo)-(C,B), Fe-(Zr,Hf,Nb,Ta)-B, Fe-Ln-B(Ln=lanthanide metal), Fe-B-Si-Nb and Fe-Nd-Al for Fe-based alloys, Co-(Ta,Mo)-B and Co-B-Si-Nb for Co-based alloys, Ni-Nb-(Ti,Zr)-(Co,Ni) for Ni-based alloys, and Cu-Ti-(Zr,Hf), Cu-Al-(Zr,Hf), Cu-Ti-(Zr,Hf)-(Ni,Co) and Cu-Al-(Zr,Hf)-(Ag,Pd) for Cu-based alloys. These BGAs exhibit useful properties of high mechanical strength, large elastic elongation and high corrosion resistance. In addition, Fe- and Co-based glassy alloys have good soft magnetic properties which cannot be obtained for amorphous and crystalline type magnetic alloys. The Fe- and Ni-based BGAs have already been used in some application fields. These LTM base BGAs are promising as new metallic engineering materials

Characterization and corrosion behaviour of CoNi alloys obtained by mechanical alloying

International Nuclear Information System (INIS)

Olvera, S.; Sánchez-Marcos, J.; Palomares, F.J.; Salas, E.; Arce, E.M.; Herrasti, P.

2014-01-01

CoNi alloys including Co 30 Ni 70 , Co 50 Ni 50 and Co 70 Ni 30 were prepared via mechanical alloying using Co and Ni powders. The crystallinity and short-range order were studied using X-ray diffraction and X-ray absorption spectroscopy. The results show that the milling process increases the number of vacancies, especially around the Co atoms, while the milling time decreases the crystalline size and enhances the crystallinity. X-ray photoelectron spectroscopy was used to characterise the chemical composition of the samples surface. The magnetic properties were analysed using zero-field cooling, field cooling and a magnetic hysteresis loops. The magnetic saturation moment is approximately 1.05 μ B /atom; this value decreases with the mechanical alloying time, and it is proportional to the cobalt concentration. The polarization and impedance curves in different media (NaCl, H 2 SO 4 and NaOH) showed similar corrosion resistance values. The corrosion resistance increased in the order NaCl, H 2 SO 4 and NaOH. A good passivation layer was formed in NaOH due to the cobalt and nickel oxides on the particle surfaces. - Highlights: • Ni x Co 100-x alloys were synthesized by mechanical alloying • Milling time decrease size and enhances crystallinity. • Oxygen is not present in a significant percentage in bulk but is detected on the surface. • Magnetic saturation moment is 1.05 mB/atom and decrease with mechanical allowing time • Corrosion resistance is higher in NaOH than in NaCl or HCl solutions

Electroluminescence and phototrigger effect in single crystals of GaSxSe1-x alloys

International Nuclear Information System (INIS)

Kyazym-Zade, A. G.; Salmanov, V. M.; Mokhtari, A. G.; Dadashova, V. V.; Agaeva, A. A.

2008-01-01

The effects of switching and electroluminescence as well as the interrelation between these effects in single crystals of GaS x Se 1-x alloys are detected and studied. It is established that the threshold voltage for switching depends on temperature, resistivity, and composition of alloys, and also on the intensity and spectrum of photoactive light. As a result, a phototrigger effect is observed; this effect arises under irradiation with light from the fundamental-absorption region. Electroluminescence is observed in the subthreshold region of the current-voltage characteristic; the electroluminescence intensity decreases drastically to zero as the sample is switched from a high-resistivity state to a low-resistivity state. Experimental data indicating that the electroluminescence and the switching effect are based on the injection mechanism (as it takes place in other layered crystals of the III-V type) are reported

Energy gaps, effective masses and ionicity of AlxGa1-xSb ternary semiconductor alloys

Science.gov (United States)

Bouarissa, N.; Boucenna, M.; Saib, S.; Siddiqui, S. A.

2017-12-01

A pseudopotential calculation of the electronic structure of AlxGa1-xSb ternary alloys in the zinc-blende structure has been performed. The compositional dependence of energy gaps, electron and heavy hole effective masses and ionicity of the material system of interest have been examined and discussed. Special attention has been given to the effect of the alloy disorder on the direct (Γ-Γ) bandgap energy. It is found that all features of interest vary monotonically with increasing the Al concentration x. Besides, bandgap bowing parameters and extent of the direct-to-indirect bandgap transition have been determined. Our findings agree generally well with the data reported in the literature. Trends in ionicity are found to be consistent with the Phillips ionicity scale.

Mutual alloying of XAs (X=Ga, In, Al) materials: Tuning the optoelectronic and thermodynamic properties for solar energy applications

KAUST Repository

Haq, Bakhtiar Ul

2014-02-01

In the present work we did mutual alloying of the versatile XAs (X=Ga, In, Al) materials in order to improve their efficiency and enhance their range of technological applications using state of the art first principles method. We investigate the structural, electronic and thermodynamic properties of Ga1-xAlxAs, Ga1-xInxAs and In1-xAlxAs for x=0.25, 0.50, and 0.75. Calculations have been performed using the density functional theory (DFT) as implemented within the full potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method. For exchange and correlation energy treatment, we employed the local density approximations (LDA) as proposed by Wang and Perdew and the generalized gradient approximation (GGA) from Perdew et al. proposed. To calculate the accurate band structure, recently modified Becke Johnson (mBJ) potential was suggested as an alternative. Our calculations show a linear fall in the lattice constant in contrast to linear rise in bulk moduli of Ga1-xAlxAs and In1-xAlxAs with the increase of Al concentration. However the change of indium concentration in Ga1-xInxAs is displaying a reverse effect. The energy band gap of Ga1-xAlxAs and In1-xAlxAs was found to be increased, where a crossover from direct to indirect band gap has been observed with the increase of Al concentration. This direct to indirect crossover was found at 93.4% of Al concentration for Ga1-xAlxAs and at 84.63% of Al concentration for In1-xAlxAs. The effect of the mutual alloying of XAs materials on the thermodynamic properties is comprehensively reported. © 2013 Elsevier Ltd.

Mutual alloying of XAs (X=Ga, In, Al) materials: Tuning the optoelectronic and thermodynamic properties for solar energy applications

KAUST Repository

Haq, Bakhtiar Ul; Ahmed, Rashid; El Haj Hassan, Fouad; Khenata, Rabah; Kasmin, Mohd Khalid; Goumri-Said, Souraya

2014-01-01

In the present work we did mutual alloying of the versatile XAs (X=Ga, In, Al) materials in order to improve their efficiency and enhance their range of technological applications using state of the art first principles method. We investigate the structural, electronic and thermodynamic properties of Ga1-xAlxAs, Ga1-xInxAs and In1-xAlxAs for x=0.25, 0.50, and 0.75. Calculations have been performed using the density functional theory (DFT) as implemented within the full potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method. For exchange and correlation energy treatment, we employed the local density approximations (LDA) as proposed by Wang and Perdew and the generalized gradient approximation (GGA) from Perdew et al. proposed. To calculate the accurate band structure, recently modified Becke Johnson (mBJ) potential was suggested as an alternative. Our calculations show a linear fall in the lattice constant in contrast to linear rise in bulk moduli of Ga1-xAlxAs and In1-xAlxAs with the increase of Al concentration. However the change of indium concentration in Ga1-xInxAs is displaying a reverse effect. The energy band gap of Ga1-xAlxAs and In1-xAlxAs was found to be increased, where a crossover from direct to indirect band gap has been observed with the increase of Al concentration. This direct to indirect crossover was found at 93.4% of Al concentration for Ga1-xAlxAs and at 84.63% of Al concentration for In1-xAlxAs. The effect of the mutual alloying of XAs materials on the thermodynamic properties is comprehensively reported. © 2013 Elsevier Ltd.

X-ray thickness measurement of aluminum alloys

International Nuclear Information System (INIS)

Albert, J.J.

1976-01-01

The theory of x-ray thickness gauging is extended to reveal the conditions under which a fixed anode voltage is ideal. A mathematical model of an alloy and computations reveal that two voltages can be used to measure the aluminum alloys with an error of roughly 1 percent, determined by the tolerance on manganese content rather than the large errors ordinarily a consequence of the tolerances on copper and zinc content. Implementation is discussed

A systematic neutron reflectometry study on hydrogen absorption in thin Mg{sub 1-x}Al{sub x} alloy films

Energy Technology Data Exchange (ETDEWEB)

Fritzsche, H.; Poirier, E., E-mail: helmut.fritzsche@nrc.gc.ca [National Research Council Canada, Canadian Neutron Beam Centre, Chalk River, ON (Canada); Haagsma, J.; Ophus, C.; Luber, E.; Harrower, C.; Mitlin, D. [Univ. of Alberta, and National Research Council Canada, Chemical and Materials Engineering, Edmonton, AB (Canada)

2010-10-15

In this article, we show how neutron reflectometry (NR) can provide deep insight into the absorption and desorption properties of commercially promising hydrogen storage materials. NR benefits from the large negative scattering length of hydrogen atoms, which changes the reflectivity curve substantially, so that NR can determine not only the total amount of stored hydrogen but also the hydrogen distribution along the film normal, with nanometer resolution. To use NR, the samples must have smooth surfaces, and the film thickness should range between 10 and 200 nm. We performed a systematic study on thin Mg{sub 1-x}Al{sub x} alloy films (x = 0.2, 0.3, 0.4, 0.67) capped with a Pd catalyst layer. Our NR experiments showed that Mg{sub 0.7}Al{sub 0.3} is the optimum alloy composition with the highest amount of stored hydrogen and the lowest desorption temperature. All the thin films expand by about 20% because of hydrogen absorption, and the hydrogen is stored only in the MgAl layer with no hydrogen content in the Pd layer. (author)

Corrosion behavior of Zr-x(Nb, Sn and Cu) binary alloys

International Nuclear Information System (INIS)

Kim, M. H.; Lee, M. H.; Park, S. Y.; Jung, Y. H.; We, M. Y.

1999-01-01

For the development of advanced zirconium alloys for nuclear fuel cladding, the corrosion behaviors of zirconium binary alloys were studied on the Zr-xNb, Zr-xSn, and Zr-xCu alloys. The corrosion test were performed in water at 360 deg C, steam at 400 deg C and LiOH at 360 deg C for 45 days. The corrosion behaviors of Zr-xNb was similar to that of Zr-xCu alloys. However, the corrosion behavior of Zr-xSn was different from Zr-xNb and Zr-xCu. The weight gain of Zr-xNb and Zr-xCu was increased with addition of alloying elements. When Sn is added to Zr matrix in range below the solubility limit, the corrosion resistance decrease with increasing Sn-content, while in the range over solubility limit, Sn has an adverse effect on the corrosion resistance. Especially, Zr-xSn alloys showed higher corrosion resistance than Zr-xNb and Zr-xCu alloys in LiOH solution

First-principles study on the effect of alloying elements on the elastic deformation response in β-titanium alloys

International Nuclear Information System (INIS)

Gouda, Mohammed K.; Gepreel, Mohamed A. H.; Nakamura, Koichi

2015-01-01

Theoretical deformation response of hypothetical β-titanium alloys was investigated using first-principles calculation technique under periodic boundary conditions. Simulation was carried out on hypothetical 54-atom supercell of Ti–X (X = Cr, Mn, Fe, Zr, Nb, Mo, Al, and Sn) binary alloys. The results showed that the strength of Ti increases by alloying, except for Cr. The most effective alloying elements are Nb, Zr, and Mo in the current simulation. The mechanism of bond breaking was revealed by studying the local structure around the alloying element atom with respect to volume change. Moreover, the effect of alloying elements on bulk modulus and admissible strain was investigated. It was found that Zr, Nb, and Mo have a significant effect to enhance the admissible strain of Ti without change in bulk modulus