Phase Stability Diagrams for High Temperature Corrosion Processes

Directory of Open Access Journals (Sweden)

J. J. Ramos-Hernandez

2013-01-01

Full Text Available Corrosion phenomena of metals by fused salts depend on chemical composition of the melt and environmental conditions of the system. Detail knowledge of chemistry and thermodynamic of aggressive species formed during the corrosion process is essential for a better understanding of materials degradation exposed to high temperature. When there is a lack of kinetic data for the corrosion processes, an alternative to understand the thermodynamic behavior of chemical species is to utilize phase stability diagrams. Nowadays, there are several specialized software programs to calculate phase stability diagrams. These programs are based on thermodynamics of chemical reactions. Using a thermodynamic data base allows the calculation of different types of phase diagrams. However, sometimes it is difficult to have access to such data bases. In this work, an alternative way to calculate phase stability diagrams is presented. The work is exemplified in the Na-V-S-O and Al-Na-V-S-O systems. This system was chosen because vanadium salts is one of the more aggressive system for all engineering alloys, especially in those processes where fossil fuels are used.

Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams

International Nuclear Information System (INIS)

Chagarov, E.; Sardashti, K.; Kummel, A. C.; Haight, R.; Mitzi, D. B.

2016-01-01

Density-functional theory simulations of CZTS, CZTSe, and CZTS 0.25 Se 0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS 0.25 Se 0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS 0.25 Se 0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS 0.25 Se 0.75 that the chemical potentials for stability differ between typical processing temperature (∼900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS 0.25 Se 0.75 in a thermodynamically stable state to minimize phase decomposition.

Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams

Science.gov (United States)

Chagarov, E.; Sardashti, K.; Haight, R.; Mitzi, D. B.; Kummel, A. C.

2016-08-01

Density-functional theory simulations of CZTS, CZTSe, and CZTS0.25Se0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS0.25Se0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS0.25Se0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS0.25Se0.75 that the chemical potentials for stability differ between typical processing temperature (˜900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS0.25Se0.75 in a thermodynamically stable state to minimize phase decomposition.

Effective interactions approach to phase stability in alloys under irradiation

International Nuclear Information System (INIS)

Enrique, R.A.; Bellon, P.

1999-01-01

Phase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results form two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges. The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram

Effective interactions approach to phase stability in alloys under irradiation

International Nuclear Information System (INIS)

Enrique, R.A.; Bellon, P.

1999-01-01

Phase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results from two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram

Lattice parameters values and phase diagram for the Cu2Zn1-zFezGeSe4 alloy system

International Nuclear Information System (INIS)

Caldera, D.; Quintero, M.; Morocoima, M.; Quintero, E.; Grima, P.; Marchan, N.; Moreno, E.; Bocaranda, P.; Delgado, G.E.; Mora, A.E.; Briceno, J.M.; Fernandez, J.L.

2008-01-01

X-ray powder diffraction and differential thermal analysis (DTA) measurements were made on polycrystalline samples of the Cu 2 Zn 1-z Fe z GeSe 4 alloy system. The diffraction patterns were used to show the equilibrium conditions and to estimate crystalline parameter values. It was found that, at room temperature, a single phase solid solution with the tetragonal stannite α structure (I4-bar2m) occurs across the whole composition range. The DTA thermograms were used to construct the phase diagram of the Cu 2 Zn 1-z Fe z GeSe 4 alloy system. It was confirmed that the Cu 2 ZnGeSe 4 compound melts incongruently. It was observed that undercooling effects occur for samples with z > 0.9

Searching for Next Single-Phase High-Entropy Alloy Compositions

Directory of Open Access Journals (Sweden)

David E. Alman

2013-10-01

Full Text Available There has been considerable technological interest in high-entropy alloys (HEAs since the initial publications on the topic appeared in 2004. However, only several of the alloys investigated are truly single-phase solid solution compositions. These include the FCC alloys CoCrFeNi and CoCrFeMnNi based on 3d transition metals elements and BCC alloys NbMoTaW, NbMoTaVW, and HfNbTaTiZr based on refractory metals. The search for new single-phase HEAs compositions has been hindered by a lack of an effective scientific strategy for alloy design. This report shows that the chemical interactions and atomic diffusivities predicted from ab initio molecular dynamics simulations which are closely related to primary crystallization during solidification can be used to assist in identifying single phase high-entropy solid solution compositions. Further, combining these simulations with phase diagram calculations via the CALPHAD method and inspection of existing phase diagrams is an effective strategy to accelerate the discovery of new single-phase HEAs. This methodology was used to predict new single-phase HEA compositions. These are FCC alloys comprised of CoFeMnNi, CuNiPdPt and CuNiPdPtRh, and HCP alloys of CoOsReRu.

Applications of phase diagrams in metallurgy and ceramics

International Nuclear Information System (INIS)

Carter, G.C.

1978-03-01

The workshop represents an effort to coordinate and reinforce the current efforts on compilation of phase diagrams of alloys and ceramics. Many research groups and individual scientists throughout the world are concerned with phase equilibrium data. Specialized expertise exists in small institutions as well as large laboratories. If this talent can be effecively utilized through a cooperative effort, the needs for such data can be met. The Office of Standard Reference Data, which serves as the program management office for the National Standard Reference Data System, is eager to work with all groups concerned with this problem. Through a cooperative international effort we can carry out a task which has become too large for an individual. Volume 2 presents computational techniques for phase diagram construction

Phase diagram of the ternary Zr-Ti-Sn system

International Nuclear Information System (INIS)

Arias, D.; Gonzalez Camus, M.

1987-01-01

It is well known that Ti stabilizes the high temperature cubic phase of Zr and that Sn stabilizes the low temperature hexagonal phase of Zr. The effect of Sn on the Zr-Ti diagram has been studied in the present paper. Using high purity metals, nine different alloys have been prepared, with 4-32 at % Ti, 0.7-2.2 at % Sn and Zr till 100%. Resistivity and optical and SEM metallography techniques have been employed. Effect of some impurities have been analyzed. The results are discussed and different isothermic sections of the ternary Zr-Ti-Sn diagram are presented. (Author) [es

On the question of calculation methods of phase diagrams

International Nuclear Information System (INIS)

Vasil'ev, M.V.

1983-01-01

The technique of determining interaction parameters of components of binary alloys is suggested. U-Mo and Cu-Al systems are used as example with the aid of experimental state diagrams. It is shown that the search for new regularities is necessary with the aim of analytical description of state diagrams and forecast of the shape of phase equilibria curves in real systems. Optimum combinations of experimental investigations with the aim of reliable determination of supporting points and forecasting possibilities of typical equations can considerably decrease the volume of experimental work when preparing state diagrams, in cases of repeated state diagrams of more reliable state diagrams with the application of more advanced methods of investigation. The translation of state diagrams from geometric to analytical language with the use of typical equations opens up new possibilities for establishing a compact information bank for state diagrams

Modelling the continuous cooling transformation diagram of engineering steels using neural networks. Part I. Phase regions

Energy Technology Data Exchange (ETDEWEB)

Wolk, P.J. van der; Wang, J. [Delft Univ. of Technology (Netherlands); Sietsma, J.; Zwaag, S. van der [Delft Univ. of Technology, Lab. for Materials Science (Netherlands)

2002-12-01

A neural network model for the calculation of the phase regions of the continuous cooling transformation (CCT) diagram of engineering steels has been developed. The model is based on experimental CCT diagrams of 459 low-alloy steels, and calculates the CCT diagram as a function of composition and austenitisation temperature. In considering the composition, 9 alloying elements are taken into account. The model reproduces the original diagrams rather accurately, with deviations that are not larger than the average experimental inaccuracy of the experimental diagrams. Therefore, it can be considered an adequate alternative to the experimental determination of the CCT diagram of a certain steel within the composition range used. The effects of alloying elements can be quantified, either individually or in combination, with the model. Nonlinear composition dependencies are observed. (orig.)

Discontinuous structural phase transition of liquid metal and alloys (2)

International Nuclear Information System (INIS)

Wang, Li; Liu, Jiantong

2004-01-01

The diameter (d f ) of diffusion fluid cluster before and after phase transition has been calculated in terms of the paper ''Discontinuous structural phase transition of liquid metal and alloy (1)'' Physics Letters. A 326 (2004) 429-435, to verify quantitatively the discontinuity of structural phase transition; the phenomena of thermal contraction and thermal expansion during the phase transition, together with the evolution model of discontinuous structural phase transition are also discussed in this Letter to explore further the nature of structural transition; In addition, based on the viscosity experimental result mentioned in paper [Y. Waseda, The Structure of Non-Crystalline Materials--Liquids and Amorphous Solids, McGraw-Hill, New York, 1980], we present an approach to draw an embryo of the liquid-liquid (L-L) phase diagram for binary alloys above liquidus in the paper, expecting to guide metallurgy process so as to improve the properties of alloys. The idea that controls amorphous structure and its properties by means of the L-L phase diagram for alloys and by the rapid cooling technique to form the amorphous alloy has been brought forward in the end

Phase transformations at continuous cooling in VT6ch and VT23 alloys

International Nuclear Information System (INIS)

Lyasotskaya, V.S.; Lyasotskij, I.V.; Meshcheryakov, V.N.; Ravdonikas, N.Yu.; Nadtochij, S.I.; Faustov, N.N.

1986-01-01

Phase transformations at continuous cooling at β-region temperatures in VT6ch and VT23 alloys are studied. Nonequilibrium phases: α', α'', (ω), βsub(e), αsub(e), are shown to be formed in these alloys depending on cooling composition and rate. It is established that at cooling at temperatures below Ar 3 in alloys studied high-temperature α-phase is formed, and at temperatures below 650 deg C - more dispersed low-temperature α-phase precipitating from β-solution volumes mostly enriched by alloying elements according to the intermediate mechanism. Diagrams of anisothermal β-phase decomposition for VT6ch and VT23 alloys are plotted in coincidence with the results of thermal, thermodifferential, metallographic and X-ray diffraction analyses; lines of martensite transformation, lines of high- and low-temperature α-phase formation are pointed on the diagrams. Besides, for VT23 alloy a line for (ω)-phase formation is pointed

An approach for continuous cooling transformation (CCT) diagrams of aluminium alloys

International Nuclear Information System (INIS)

Herding, T.; Kessler, O.; Hoffmann, F.; Mayr, P.

2002-01-01

Two different kinds of time temperature transformation (TTT) diagrams are known. The first one are isothermal transformation (IT) diagrams and the second one continuous cooling transformation (CCT) diagrams. These diagrams are important for the correct heat treatment of aluminium alloys, because they provide information about the required quenching rate, which is necessary to obtain a supersaturated solid solution during age hardening. Furthermore, it is possible to determine the lowest quenching rate, which permits both a high strength and a small distortion of the component after age hardening. In the literature IT diagrams for different aluminium alloys are available. To determine these diagrams, a solution annealing followed by quenching to defined temperatures is necessary. At these temperatures the alloy is kept isothermally until a transformation has started. These diagrams are not directly portable on continuous cooling, because of the different cooling paths. (orig.)

Towards construction of quasi-binary UAI3-USi3 phase diagram

International Nuclear Information System (INIS)

Rafailov, Gennady; Uziel, Asaf; White, Avner; Meshi, Louisa; Dahan, Itzhak

2014-01-01

Ternary U-Al-Si system has been extensively investigated due to the high potential of Uranium alloyed with Silicon as low-enriched fuel. Another interest in the U-Al-Si ternary system originates from the use of Aluminum alloy, where Silicon is a major alloying element, as U-fuel cladding. In this system, UAl3 and USi3 phases are of special importance. Since UAl3 and USi3 are isostructural and follow the Hume-Rothery rules closely, it would be expected that their quasi-binary phase diagram will be isomorphous. However, previous studies have shown that this system does not display complete liquid and solid solubility. Moreover, conflicting results were reported regarding the phases found . In current work, several compositions were cast and then heat-treated in order to reach equilibrium for subsequent characterization of Si-rich part of the USi3-UAl3 quasi-binary phase diagram. The as-cast and heat-treated alloys were characterized by scanning and transmission electron microscopy and X-ray diffraction (XRD) methods. Quantitative results were obtained from Rietveld analysis performed on XRD data. The results show that the ordered U(Si,Al)3 phase, identified in an earlier study of the Al-rich region is present also in the Si-rich region (studied in present research). Furthermore, ordered phase exhibited substantial stability over quite large range of compositions and temperature. Our results unambiguously point out that this quasi-binary system contains an order-disorder transformation and not a miscibility gap at low temperatures in the studied range of compositions

Phase diagram of Fe1-xCox ultrathin film

International Nuclear Information System (INIS)

Fridman, Yu.A.; Klevets, Ph.N.; Voytenko, A.P.

2008-01-01

Concentration-driven reorientation phase transitions in ultrathin magnetic films of FeCo alloy have been studied. It is established that, in addition to the easy-axis and easy-plane phases, a spatially inhomogeneous phase (domain structure), a canted phase, and also an 'in-plane easy-axis' phase can exist in the system. The realization of the last phase is associated with the competition between the single-ion anisotropy and the magnetoelastic interaction. The critical values of Co concentration corresponding to the phase transitions are evaluated, the types of phase transitions are determined, and the phase diagrams are constructed

Pressure-concentration (P-X) diagram for the Ce-Th alloy system

International Nuclear Information System (INIS)

Gu, G.; Vohra, Y.K.; Winand, J.M.; Spirlet, J.C.

1995-01-01

Pressure is an important variable in the phase stability of rare earth and actinide metals and alloys. This is largely due to the enormous change of the f-electron character induced by high pressure. Under high pressure, the increased f-electron overlap and interactions between the f-electrons and the spd conduction electrons are the main causes of the change of f-electron behavior and the relevant phase transformations. Diamond anvil cell techniques now allow for pressures over 300 GPa and this has given new impetus to the field of structural phase transformations. In this paper, the authors report their high pressure measurements on a series of Ce 1-x Th x alloys performed at ambient temperature in a diamond anvil cell using synchrotron x-ray source. In particular, the authors focus their attention on the γ(fcc) to α(fcc) and α to bct (body centered tetragonal) phase transformations caused by application of high pressure. The data is combined with the earlier measurements to construct a P-X diagram for the Ce-Th Alloy system

Para-equilibrium phase diagrams

International Nuclear Information System (INIS)

Pelton, Arthur D.; Koukkari, Pertti; Pajarre, Risto; Eriksson, Gunnar

2014-01-01

Highlights: • A rapidly cooled system may attain a state of para-equilibrium. • In this state rapidly diffusing elements reach equilibrium but others are immobile. • Application of the Phase Rule to para-equilibrium phase diagrams is discussed. • A general algorithm to calculate para-equilibrium phase diagrams is described. - Abstract: If an initially homogeneous system at high temperature is rapidly cooled, a temporary para-equilibrium state may result in which rapidly diffusing elements have reached equilibrium but more slowly diffusing elements have remained essentially immobile. The best known example occurs when homogeneous austenite is quenched. A para-equilibrium phase assemblage may be calculated thermodynamically by Gibbs free energy minimization under the constraint that the ratios of the slowly diffusing elements are the same in all phases. Several examples of calculated para-equilibrium phase diagram sections are presented and the application of the Phase Rule is discussed. Although the rules governing the geometry of these diagrams may appear at first to be somewhat different from those for full equilibrium phase diagrams, it is shown that in fact they obey exactly the same rules with the following provision. Since the molar ratios of non-diffusing elements are the same in all phases at para-equilibrium, these ratios act, as far as the geometry of the diagram is concerned, like “potential” variables (such as T, pressure or chemical potentials) rather than like “normal” composition variables which need not be the same in all phases. A general algorithm to calculate para-equilibrium phase diagrams is presented. In the limit, if a para-equilibrium calculation is performed under the constraint that no elements diffuse, then the resultant phase diagram shows the single phase with the minimum Gibbs free energy at any point on the diagram; such calculations are of interest in physical vapor deposition when deposition is so rapid that phase

Phase-Field simulation of phase decomposition in Fe-Cr-Co alloy under an external magnetic field

Science.gov (United States)

Koyama, Toshiyuki; Onodera, Hidehiro

2004-07-01

Phase decomposition during isothermal aging of a Fe-Cr-Co ternary alloy under an external magnetic field is simulated based on the phase-field method. In this simulation, since the Gibbs energy available from the thermodynamic CALPHAD database of the equilibrium phase diagram is employed as a chemical free energy, the present calculation provides the quantitative microstructure changes directly linked to the phase diagram. The simulated microstructure evolution demonstrates that the lamella like microstructure elongated along the external magnetic field is evolved with the progress of aging. The morphological and temporal developments of the simulated microstructures are in good agreement with experimental results that have been obtained for this alloy system.

Density-functional theory computer simulations of CZTS{sub 0.25}Se{sub 0.75} alloy phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Chagarov, E.; Sardashti, K.; Kummel, A. C. [Departments of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093 (United States); Haight, R. [IBM T. J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598 (United States); Mitzi, D. B. [Departments of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708 (United States)

2016-08-14

Density-functional theory simulations of CZTS, CZTSe, and CZTS{sub 0.25}Se{sub 0.75} photovoltaic compounds have been performed to investigate the stability of the CZTS{sub 0.25}Se{sub 0.75} alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS{sub 0.25}Se{sub 0.75} alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS{sub 0.25}Se{sub 0.75} that the chemical potentials for stability differ between typical processing temperature (∼900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS{sub 0.25}Se{sub 0.75} in a thermodynamically stable state to minimize phase decomposition.

Zr-Fe-Sn Ternary System Phase Diagrams- New Experimental Results

International Nuclear Information System (INIS)

Nieva, N; Gomez, A; Arias, D

2004-01-01

New experimental results for the Zr-Fe-Sn ternary system are presented in this paper. The phases present and equilibrium relations for the 900 o C isothermal on the central zone of the Gibbs triangle are analysed. A set of ternary alloys was designed and obtained, and they were analysed by semi quantitative SEM- EDS, XRD, and metallographic samples. The resulting ternary phase diagrams are presented here (JCH)

Phase diagram of the Ge-rich of the Ba–Ge system and characterisation of single-phase BaGe4

International Nuclear Information System (INIS)

Prokofieva, Violetta K.; Pavlova, Lydia M.

2014-01-01

Highlights: • The Ba-Ge phase diagram for the range 50–100 at.% Ge was constructed. • Single-phase BaGe 4 grown by the Czochralski method was characterised. • A phenomenological model for a liquid-liquid phase transition is proposed. - Abstract: The Ba–Ge binary system has been investigated by several authors, but some uncertainties remain regarding phases with Ba/Ge ⩽ 2. The goal of this work was to resolve the uncertainty about the current phase diagram of Ba–Ge by performing DTA, X-ray powder diffraction, metallographic and chemical analyses, and measurements of the electrical conductivity and viscosity. The experimental Ba–Ge phase diagram over the composition range of 50–100 at.% Ge was constructed from the cooling curves and single-phase BaGe 4 grown by the Czochralski crystal pulling method was characterised. Semiconducting BaGe 4 crystallised peritectically from the liquid phase near the eutectic. In the liquid state, the caloric effects were observed in the DTA curves at 1050 °C where there are no definite phase lines in the Ba–Ge phase diagram. These effects are confirmed by significant changes in the viscosity and electrical conductivity of a Ba–Ge alloy with eutectic composition at this temperature. A phenomenological model based on two different approaches, a phase approach and a chemical approach, is proposed to explain the isothermal liquid–liquid phase transition observed in the Ba–Ge system from the Ge side. Our results suggest that this transition is due to the peritectic reactions in the liquid phase. This reversible phase transition results in the formation of precursors of various metastable clathrate phases and is associated with sudden changes in the structure of Ba–Ge liquid alloys. Characteristics of both first- and second-order phase transitions are observed. Charge transfer appears to play an important role in this transition

Electronic structure theory of alloy phase stability

International Nuclear Information System (INIS)

Turchi, P.E.A.; Sluiter, M.

1992-01-01

We present a brief overview of the advanced methodology which has been developed and applied to the study of phase stability properties in substitutional alloys. The approach is based on the real space version of the Generalized Perturbation Method within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method, or with Monte-Carlo simulations. We show that this approach is well suited for studying ground state properties of substitutional alloys, for calculating energies of idealized interfaces and antiphase boundaries, and finally to compute alloy phase diagrams

Phase formation in multicomponent monotectic aluminium alloys

Energy Technology Data Exchange (ETDEWEB)

Mirkovic, Djordje; Groebner, Joachim; Schmid-Fetzer, Rainer [Institute of Metallurgy, Clausthal University of Technology (Germany)

2008-07-01

Alloys with a miscibility gap in the liquid state are potential materials for advanced bearings in automotive and other applications. While binary alloys, such as Al-Pb or Al-Bi, are well known, the information available for ternary monotectic Al-alloys is scarce. However, the phase formation in multicomponent alloys is not only more challenging from a scientific aspect, it is also a prerequisite for a focused development of advanced alloys. This motivated our detailed study of monotectic Al-Bi-Cu-Sn alloys including both experimental and computational thermodynamic methods. Based on the initially established systematic classification of monotectic ternary Al-alloys, the first promising monotectic reaction was observed in the ternary Al-Bi-Zn system. Further ternary systems Al-Cu-Sn, Al-Bi-Sn, Al-Bi-Cu and Bi-Cu-Sn were investigated as basis for quaternary Al-Bi-Cu-Sn alloys. Experimental investigations of phase equilibria, enthalpies and solidification microstructures were combined with thermodynamic modeling. The results demonstrate that the developed precise thermodynamic description is vital to reveal the distinct multicomponent monotectic features of pertinent phase diagrams. The solidification paths of ternary monotectic alloy systems, Al-Bi-Zn, Al-Sn-Cu and Al-Bi-Cu, were also studied using thermodynamic calculations, revealing specific details of phase formation during solidification of selected alloys.

A new experimental phase diagram investigation of Cu-Sb.

Science.gov (United States)

Fürtauer, Siegfried; Flandorfer, Hans

The binary system Cu-Sb is a constituent system that is studied in investigations of technically important ternary and quaternary alloy systems (e.g., casting alloys and lead-free solders). Although this binary system has been thoroughly investigated over the last century, there are still some uncertainties regarding its high-temperature phases. Thus, parts of its phase diagram have been drawn with dashed lines in reviews published in the literature. The aim of this work was to resolve these uncertainties in the current phase diagram of Cu-Sb by performing XRD, SEM-EDX, EPMA, and DTA. The results from thermal analysis agreed well with those given in the literature, although some modifications due to the invariant reaction temperatures were necessary. In particular, reactions located on the Cu-rich side of the nonquenchable high-temperature β phase (BiF 3 -type) left considerable scope for interpretation. Generally, the structural descriptions of the various binary phases given in the literature were verified. The range of homogeneity of the ε phase (Cu 3 Ti type) was found to be higher on the Sb-rich side. Most of the reaction temperatures were verified, but a few had to be revised, such as the eutectoid reaction [Formula: see text] at 440 °C (found to occur at 427 °C in this work) and the eutectoid reaction [Formula: see text] at 400 °C (found to occur at 440 °C in this work). Further phase transformations that had previously only been estimated were confirmed, and their characteristic temperatures were determined.

Thermodynamic analysis of 6xxx series Al alloys: Phase fraction diagrams

OpenAIRE

Cui S.; Mishra R.; Jung I.-H.

2018-01-01

Microstructural evolution of 6xxx Al alloys during various metallurgical processes was analyzed using accurate thermodynamic database. Phase fractions of all the possible precipitate phases which can form in the as-cast and equilibrium states of the Al-Mg-Si-Cu-Fe-Mn-Cr alloys were calculated over the technically useful composition range. The influence of minor elements such as Cu, Fe, Mn, and Cr on the amount of each type of precipitate in the as-cast and equilibrium conditions were analyzed...

Phase formation in Mg-Sn-Si and Mg-Sn-Si-Ca alloys

Energy Technology Data Exchange (ETDEWEB)

Kozlov, A.; Groebner, J. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, R., E-mail: schmid-fetzer@tu-clausthal.de [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)

2011-02-17

Research highlights: > The solidification paths of ternary and quaternary alloys are analyzed in detail, using the tool of thermodynamic calculations. > The precipitation sequence of phases and their amounts compare well with the microstructure of alloys. > The most efficient comparison to the experimental thermal analysis data is done by calculation of the enthalpy variation with temperature. > The viability of a procedure for the selection of multicomponent key samples is demonstrated for the development of the Mg-Ca-Si-Sn phase diagram. - Abstract: Experimental work is done and combined with the Calphad method to generate a consistent thermodynamic description of the Mg-Ca-Si-Sn quaternary system, validated for Mg-rich alloys. The viability of a procedure for the selection of multicomponent key samples is demonstrated for this multicomponent system. Dedicated thermal analysis with DTA/DSC on sealed samples is performed and the microstructure of slowly solidified alloys is analyzed using SEM/EDX. The thermodynamic description and phase diagram of the ternary Mg-Si-Sn system, developed in detail also in this work, deviates significantly from a previous literature proposal. The phase formation in ternary and quaternary alloys is analyzed using the tool of thermodynamic equilibrium and Scheil calculations for the solidification paths and compared with present experimental data. The significant ternary/quaternary solid solubilities of pertinent intermetallic phases are quantitatively introduced in the quaternary Mg-Ca-Si-Sn phase diagram and validated by experimental data.

CERPHASE: Computer-generated phase diagrams

International Nuclear Information System (INIS)

Ruys, A.J.; Sorrell, C.C.; Scott, F.H.

1990-01-01

CERPHASE is a collection of computer programs written in the programming language basic and developed for the purpose of teaching the principles of phase diagram generation from the ideal solution model of thermodynamics. Two approaches are used in the generation of the phase diagrams: freezing point depression and minimization of the free energy of mixing. Binary and ternary phase diagrams can be generated as can diagrams containing the ideal solution parameters used to generate the actual phase diagrams. Since the diagrams generated utilize the ideal solution model, data input required from the operator is minimal: only the heat of fusion and melting point of each component. CERPHASE is menu-driven and user-friendly, containing simple instructions in the form of screen prompts as well as a HELP file to guide the operator. A second purpose of CERPHASE is in the prediction of phase diagrams in systems for which no experimentally determined phase diagrams are available, enabling the estimation of suitable firing or sintering temperatures for otherwise unknown systems. Since CERPHASE utilizes ideal solution theory, there are certain limitations imposed on the types of systems that can be predicted reliably. 6 refs., 13 refs

Stereo 3D spatial phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Kang, Jinwu, E-mail: kangjw@tsinghua.edu.cn; Liu, Baicheng, E-mail: liubc@tsinghua.edu.cn

2016-07-15

Phase diagrams serve as the fundamental guidance in materials science and engineering. Binary P-T-X (pressure–temperature–composition) and multi-component phase diagrams are of complex spatial geometry, which brings difficulty for understanding. The authors constructed 3D stereo binary P-T-X, typical ternary and some quaternary phase diagrams. A phase diagram construction algorithm based on the calculated phase reaction data in PandaT was developed. And the 3D stereo phase diagram of Al-Cu-Mg ternary system is presented. These phase diagrams can be illustrated by wireframe, surface, solid or their mixture, isotherms and isopleths can be generated. All of these can be displayed by the three typical display ways: electronic shutter, polarization and anaglyph (for example red-cyan glasses). Especially, they can be printed out with 3D stereo effect on paper, and watched by the aid of anaglyph glasses, which makes 3D stereo book of phase diagrams come to reality. Compared with the traditional illustration way, the front of phase diagrams protrude from the screen and the back stretches far behind of the screen under 3D stereo display, the spatial structure can be clearly and immediately perceived. These 3D stereo phase diagrams are useful in teaching and research. - Highlights: • Stereo 3D phase diagram database was constructed, including binary P-T-X, ternary, some quaternary and real ternary systems. • The phase diagrams can be watched by active shutter or polarized or anaglyph glasses. • The print phase diagrams retains 3D stereo effect which can be achieved by the aid of anaglyph glasses.

Studies on the phase diagram of Pb-Mo-O system

International Nuclear Information System (INIS)

Aiswarya, P.M.; Ganesan, Rajesh; Gnanasekaran, T.

2014-01-01

Liquid lead and Lead-Bismuth Eutectic (LBE) alloy are considered as spallation target and coolant in the accelerator driven systems and as candidate coolant in advanced nuclear reactors. Corrosion of the structural steel components in these liquid metal coolants can be minimized by the insitu formation of passive oxide layer on the steel surface under controlled oxygen concentration. A detailed knowledge of phase diagrams of Pb-M-O and Bi-M-O (M = Fe, Cr, Mo) systems and data on thermochemical properties of the ternary compounds of these systems are required for better understanding of composition and stability of these passive oxide films. In the present work, studies have been carried out to establish the ternary phase diagram of Pb-Mo-O system

Relation between time-temperature transformation and continuous heating transformation diagrams of metallic glassy alloys

International Nuclear Information System (INIS)

Louzguine-Luzgin, Dmitri V.; Inoue, Akihisa

2005-01-01

The time-temperature transformation (TTT) diagrams for the onset of devitrification of the Ge-Ni-La and Cu-Hf-Ti glassy alloys were calculated from the isothermal differential calorimetry data using an Arrhenius equation. The continuous heating transformation (CHT) diagrams for the onset of devitrification of the glassy alloys were subsequently recalculated from TTT diagrams. The recalculation method used for conversion of the TTT into CHT diagrams produces reasonable results and is not sensitive to the type of the devitrification reaction (polymorphous or primary transformation). The diagrams allow to perform a comparison of the stabilities of glassy alloys on a long-term scale. The relationship between these diagrams is discussed

Lattice parameters values and phase diagram for the Cu{sub 2}Zn{sub 1-z}Fe{sub z}GeSe{sub 4} alloy system

Energy Technology Data Exchange (ETDEWEB)

Caldera, D. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Quintero, M. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela)], E-mail: mquinter@ula.ve; Morocoima, M.; Quintero, E.; Grima, P.; Marchan, N.; Moreno, E.; Bocaranda, P. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Mora, A.E.; Briceno, J.M.; Fernandez, J.L. [Laboratorio de Analisis Quimico y Estructura de Materiales, Departamento de Fisica, Universidad de Los Andes, Merida 5101 (Venezuela)

2008-06-12

X-ray powder diffraction and differential thermal analysis (DTA) measurements were made on polycrystalline samples of the Cu{sub 2}Zn{sub 1-z}Fe{sub z}GeSe{sub 4} alloy system. The diffraction patterns were used to show the equilibrium conditions and to estimate crystalline parameter values. It was found that, at room temperature, a single phase solid solution with the tetragonal stannite {alpha} structure (I4-bar2m) occurs across the whole composition range. The DTA thermograms were used to construct the phase diagram of the Cu{sub 2}Zn{sub 1-z}Fe{sub z}GeSe{sub 4} alloy system. It was confirmed that the Cu{sub 2}ZnGeSe{sub 4} compound melts incongruently. It was observed that undercooling effects occur for samples with z > 0.9.

Phase diagram of Fe{sub 1-x}Co{sub x} ultrathin film

Energy Technology Data Exchange (ETDEWEB)

Fridman, Yu.A. [V.I. Vernadskiy Taurida National University, Vernadskiy Avenue 4, Simferopol, Crimea 95007 (Ukraine)], E-mail: frid@tnu.crimea.ua; Klevets, Ph.N.; Voytenko, A.P. [V.I. Vernadskiy Taurida National University, Vernadskiy Avenue 4, Simferopol, Crimea 95007 (Ukraine)

2008-12-15

Concentration-driven reorientation phase transitions in ultrathin magnetic films of FeCo alloy have been studied. It is established that, in addition to the easy-axis and easy-plane phases, a spatially inhomogeneous phase (domain structure), a canted phase, and also an 'in-plane easy-axis' phase can exist in the system. The realization of the last phase is associated with the competition between the single-ion anisotropy and the magnetoelastic interaction. The critical values of Co concentration corresponding to the phase transitions are evaluated, the types of phase transitions are determined, and the phase diagrams are constructed.

Assessment of thermodynamic properties and phase diagram in the Ag–In–Pd system

Czech Academy of Sciences Publication Activity Database

Zemanová, A.; Semenova, O.; Kroupa, Aleš; Vřešťál, J.; Chandrasekaran, K.; Richter, K. W.; Ipser, H.

2007-01-01

Roč. 15, č. 1 (2007), s. 77-84 ISSN 0966-9795 R&D Projects: GA MŠk(CZ) OC 532.001 Institutional research plan: CEZ:AV0Z20410507 Keywords : phase diagrams * ternary alloy systems * prediction Subject RIV: BJ - Thermodynamics Impact factor: 2.219, year: 2007

Algorithmic phase diagrams

Science.gov (United States)

Hockney, Roger

1987-01-01

Algorithmic phase diagrams are a neat and compact representation of the results of comparing the execution time of several algorithms for the solution of the same problem. As an example, the recent results are shown of Gannon and Van Rosendale on the solution of multiple tridiagonal systems of equations in the form of such diagrams. The act of preparing these diagrams has revealed an unexpectedly complex relationship between the best algorithm and the number and size of the tridiagonal systems, which was not evident from the algebraic formulae in the original paper. Even so, for a particular computer, one diagram suffices to predict the best algorithm for all problems that are likely to be encountered the prediction being read directly from the diagram without complex calculation.

Phase diagrams of the elements

International Nuclear Information System (INIS)

Young, D.A.

1975-01-01

A summary of the pressure-temperature phase diagrams of the elements is presented, with graphs of the experimentally determined solid-solid phase boundaries and melting curves. Comments, including theoretical discussion, are provided for each diagram. The crystal structure of each solid phase is identified and discussed. This work is aimed at encouraging further experimental and theoretical research on phase transitions in the elements

A partial isothermal section at 1000 ˚C of Al-Mn-Fe phase diagram in vicinity of Taylor phase and decagonal quasicrystal

Czech Academy of Sciences Publication Activity Database

Priputen, P.; Černíčková, I.; Lejček, Pavel; Janičkovič, D.; Janovec, J.

2016-01-01

Roč. 37, č. 2 (2016), 130-134 ISSN 1547-7037 R&D Projects: GA ČR GBP108/12/G043 Institutional support: RVO:68378271 Keywords : aluminium alloys * equilibria * experimental phase * intermetallics * isothermal section * phase diagram Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.938, year: 2016

Effect of alloying elements on σ phase formation in Fe-Cr-Mn alloys

International Nuclear Information System (INIS)

Okazaki, Yoshimitsu; Miyahara, Kazuya; Hosoi, Yuzo; Tanino, Mitsuru; Komatsu, Hazime.

1989-01-01

Alloys of Fe-(8∼12%) Cr-(5∼30%) Mn were solution-treated at 1373 K for 3.6 ks, followed by cold-working of 50% reduction. Both solution-treated and 50% cold-worked materials were aged in the temperature range from 773 to 973 K for 3.6 x 10 3 ks. The identification of σ phase formation was made by using X-ray diffraction from the electrolytically extracted residues of the aged specimens. The region of σ phase formation determined by the present work is wider than that on the phase diagram already reported. It is to be noted that Mn promotes markedly the σ phase formation, and that three different types of σ phase formation are observed depending on Mn content: α→γ + α→γ + α + σ in 10% Mn, α→γ + σ in 15 to 20% Mn alloys, α→χ(Chi) →χ + σ + γ in 25 to 30% Mn alloys. An average electron concentration (e/a) in the σ phase was estimated by quantitative analysis of alloying elements using EPMA. The e/a value in the σ phase formed in Fe-(12∼16%) Cr-Mn alloys aged at 873 K for 3.6 x 10 3 ks is about 7.3, which is independent of Mn content. In order to prevent σ phase formation in Fe-12% Cr-15% Mn alloy, the value of Ni * eq of 11 (Ni * eq = Ni + 30(C) + 25(N)) is required. (author)

A Study of Phase Composition and Structure of Alloys of the Al - Mg - Si - Fe System

Science.gov (United States)

Mailybaeva, A. D.; Zolotorevskii, V. S.; Smagulov, D. U.; Islamkulov, K. M.

2017-03-01

The Thermo-Calc software is used to compute the phase transformations occurring during cooling of alloys. Polythermal and isothermal sections of the phase diagram of the Al - Mg - Si - Fe system are plotted. The phase composition and the structure of aluminum alloys in cast condition and after a heat treatment are studied experimentally.

Real space multiple scattering description of alloy phase stability

International Nuclear Information System (INIS)

Turchi, P.E.A.; Sluiter, M.

1992-01-01

This paper presents a brief overview of the advanced methodology which has been recently developed to study phase stability properties of substitutional alloys, including order-disorder phenomena and structural transformations. The approach is based on the real space version of the Generalized Perturbation Method first introduced by Ducastelle and Gautier, within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method. The viability and the predictive power of such a scheme will be illustrated by a few examples, among them: the ground state properties of alloys, in particular the ordering tendencies for a series of equiatomic bcc-based alloys, the computation of alloy phase diagrams with the case of fcc and bcc-based Ni-Al alloys, the calculation of antiphase boundary energies and interfacial energies, and the stability of artificial ordered superlattices

Lattice parameters values and phase diagram for the Cu{sub 2}Zn{sub 1−z}Mn{sub z}GeSe{sub 4} alloy system

Energy Technology Data Exchange (ETDEWEB)

Caldera, D. [Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of); Quintero, M., E-mail: mquinter@ula.ve [Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of); Morocoima, M.; Moreno, E.; Quintero, E.; Grima-Gallardo, P.; Bocaranda, P. [Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of); Henao, J.A.; Macías, M.A. [Grupo de Investigación en Química Estructural (GIQUE), Facultad de Ciencias, Escuela de Química, Universidad Industrial de Santander, Apartado aéreo 678, Bucaramanga (Colombia); Briceño, J.M.; Mora, A.E. [Laboratorio de Análisis Químico y Estructura de Materiales, Departamento de Física, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of)

2014-11-25

Highlights: • The samples were annealed at 500 °C for 1 month. • Samples in the ranges 0 < z < 0.375 had the tetragonal stannite α structure (I4{sup ¯}2m). • For 0.725 < z ⩽ 1 the wurtz–stannite δ structure (Pmn2{sub 1}). • Undercooling effects occur for samples in the range 0.725 < z < 0.925. - Abstract: The T(z) phase diagram of the Cu{sub 2}Zn{sub 1−z}Mn{sub z}GeSe{sub 4} alloy system is obtained from X-ray diffraction and differential thermal analysis DTA. At room temperature, the X-ray diffraction data showed that samples in the ranges 0 < z < 0.375 had the tetragonal stannite α structure (I4{sup ¯}2m), while for 0.725 < z ⩽ 1 the wurtz–stannite δ structure (Pmn2{sub 1}). The α and δ fields are separated by a relative wide three-phase field (α + δ + MnSe{sub 2}). The DTA thermograms were used to construct the phase diagram of the Cu{sub 2}Zn{sub 1−z}Mn{sub z}GeSe{sub 4} alloy system. It was confirmed that the Cu{sub 2}ZnGeSe{sub 4} and Cu{sub 2}MnGeSe{sub 4} compounds melt incongruently. It was observed that undercooling effects occur for samples in the range 0.725 < z < 0.925.

Ring diagrams and phase transitions

International Nuclear Information System (INIS)

Takahashi, K.

1986-01-01

Ring diagrams at finite temperatures carry most infrared-singular parts among Feynman diagrams. Their effect to effective potentials are in general so significant that one must incorporate them as well as 1-loop diagrams. The author expresses these circumstances in some examples of supercooled phase transitions

Phase diagram of the Fe-Sn-Zr system at 800 °C

International Nuclear Information System (INIS)

Nieva, N.; Corvalán, C.; Jiménez, M.J.; Gómez, A.; Arreguez, C.; Joubert, J.-M.; Arias, D.

2017-01-01

New experimental results on the Fe-Sn-Zr phase diagram at 800 °C are presented, particularly in the central, Fe rich and Sn rich regions of the Gibbs triangle. Seven ternary alloys were designed, produced and examined by different techniques: optical and scanning electron microscopy, semi-quantitative microanalysis, quantitative microanalysis and X-ray diffraction. The results of this work and previous experimental data were used to determine the phase diagram section at 800 °C which contains at least five ternary compounds: Fe 6 Sn 6 Zr, Y, X′, θ and C36. - Highlights: •A phase diagram of Fe-Sn-Zr system at 800 °C is proposed. •The isothermal section of Fe-Sn-Zr system at 800 °C and that at 900 °C determined previously allow reliable extrapolations at low temperatures. •The study at different temperatures (900 °C and 800 °C in this case) is highly desirable because it allows the separation between enthalpic and entropic effects in a future Calphad modelling.

Phase diagram of the Fe-Sn-Zr system at 800 °C

Energy Technology Data Exchange (ETDEWEB)

Nieva, N. [Laboratorio de Física del Sólido, Departamento de Física, Facultad de Ciencias Exactas y Tecnología, Universidad Nacional de Tucumán (Argentina); Corvalán, C., E-mail: corvalan@cnea.gov.ar [Gerencia de Materiales, Comisión Nacional de Energía Atómica Argentina (CNEA), Universidad Nacional de Tres de Febrero, Argentina, CONICET, Consejo Nacional de Ciencia y Técnica (Argentina); Jiménez, M.J. [IFISUR, CONICET, Departamento de Física, Universidad Nacional del Sur, Bahía Blanca (Argentina); Gómez, A. [Grupo LMFAE – PPFAE, Centro Atómico Ezeiza, Comisión Nacional de Energía Atómica (Argentina); Arreguez, C. [Laboratorio de Física del Sólido, Departamento de Física, Facultad de Ciencias Exactas y Tecnología, Universidad Nacional de Tucumán (Argentina); Joubert, J.-M. [Chimie Métallurgique des Terres Rares (CMTR), Institut de Chimie et des Matériaux Paris-Est (ICMPE), CNRS, Université Paris-Est Créteil, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Arias, D. [Instituto de Tecnología J. Sabato, Universidad Nacional de San Martín-CNEA (Argentina)

2017-04-15

New experimental results on the Fe-Sn-Zr phase diagram at 800 °C are presented, particularly in the central, Fe rich and Sn rich regions of the Gibbs triangle. Seven ternary alloys were designed, produced and examined by different techniques: optical and scanning electron microscopy, semi-quantitative microanalysis, quantitative microanalysis and X-ray diffraction. The results of this work and previous experimental data were used to determine the phase diagram section at 800 °C which contains at least five ternary compounds: Fe{sub 6}Sn{sub 6}Zr, Y, X′, θ and C36. - Highlights: •A phase diagram of Fe-Sn-Zr system at 800 °C is proposed. •The isothermal section of Fe-Sn-Zr system at 800 °C and that at 900 °C determined previously allow reliable extrapolations at low temperatures. •The study at different temperatures (900 °C and 800 °C in this case) is highly desirable because it allows the separation between enthalpic and entropic effects in a future Calphad modelling.

Thermochemical and phase diagram studies of the Sn-Zn-Ni system

International Nuclear Information System (INIS)

Gandova, V.D.; Broz, P.; Bursik, J.; Vassilev, G.P.

2011-01-01

Highlights: → Sn-Zn-Ni phase diagram in the vicinity of the Sn-Zn system. → Unidentified compositions (UX1-UX4) are repeatedly observed. → This indicates up to 6 ternary compounds in the system. → A ternary eutectic reaction at around 190 o C is found. - Abstract: The phase diagram Sn-Zn-Ni was studied by means of DSC and electron microprobe analysis. The samples were positioned in three isopleth sections with nickel contents of 0.04 (section 1), 0.08 (section 2) and 0.12 (section 3) mole fractions. The mole fractions of Sn corresponding to the particular sections were as follows: from 0.230 to 0.768 (section 1), from 0.230 to 0.736 (section 2); from 0.220 to 0.704 (section 3). Mixtures of pure metals were sealed under vacuum in quartz ampoules and annealed at 350 o C. The solid phases identified in the samples were: γ-(i.e. Ni 5 Zn 21 ), (Zn) and the ternary phase T1. Unidentified compositions were observed. One of them: UX1 (X Ni = 0.071 ± 0.005, X Sn = 0.439 ± 0.009 and X Zn = 0.490 ± 0.010) might indicate another (stable or metastable) ternary compound (T3) in the system Sn-Zn-Ni. Considering the data obtained by combining DSC with microstructure observations, the studied alloys could be divided in two groups (A and B). A ternary eutectic reaction at around 190 o C is common for the A-group alloys. The phases taking part in this reaction are, probably, Ni 5 Zn 21 , (Zn), (βSn) and liquid. B-group samples do not show ternary eutectic reaction and are also characterized by the presence of the ternary compound T1 (absent in the A-group alloys). Four other groups of thermal arrests were registered (TA 1 -TA 4 ). It was found that TA 2 peaks were characteristic for most of the A-group samples, while TA 1 peaks were registered with all B-group samples.

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.

FIRST-PRINCIPLES PHASE DIAGRAM OF THE Ce-Th SYSTEM

International Nuclear Information System (INIS)

Landa, A; Soderlind, P

2005-01-01

Actinide physics has seen a remarkable focus the last decade or so due to the combination of improved experimental diamond-anvil-cell techniques and the development of fast computers and more advanced theory. All f-electron systems are expected to have multiphase phase diagrams due to the sensitivity of the f-electron band to external influences such as pressure and temperature. For instance, compression of an f-electron metal generally causes the occupation of f-states to change due to the shift of these bands relative to others. This can in some cases, as in the Ce-Th system, cause the crystal to adopt a lower symmetry structure at elevated pressures. Here we study the phase stabilities of Ce, Th, and the Ce-Th system as a function of compression. Theoretically, both Ce and Th metals are rather well described within the DFT, although a proper treatment of the Ce-Th alloys has not yet been presented. In the present paper we revisit this problem by applying the modern theory of random alloys based on the coherent potential approximation (CPA)

Experimental investigation of the Al-Y phase diagram

International Nuclear Information System (INIS)

Liu Shuhong; Du Yong; Xu Honghui; He Cuiyun; Schuster, Julius C.

2006-01-01

The Al-Y phase diagram has been reinvestigated with 16 key alloys over its whole composition range by means of differential thermal analysis, X-ray diffraction, optical microscopy, and scanning electron microscopy with energy dispersive X-ray techniques. The existence of five intermetallic phases, Al 3 Y, Al 2 Y, AlY, Al 2 Y 3 , and AlY 2 , has been confirmed. Al 2 Y and Al 2 Y 3 melt congruently at 1490 ± 2 and 1105 ± 2 deg. C, respectively. Al 3 Y, AlY, and AlY 2 are formed via the peritectic reactions L + Al 2 Y ↔ Al 3 Y at 980 ± 2 deg. C, L + Al 2 Y ↔ AlY at 1138 ± 2 deg. C, and L + Al 2 Y 3 ↔ AlY 2 at 977 ± 2 deg. C, respectively. Three eutectic reactions L ↔ (Al) + Al 3 Y at 637 ± 2 deg. C, L ↔ AlY + Al 2 Y 3 at 1081 ± 2 deg. C, and L ↔ AlY 2 + (αY) at 955 ± 2 deg. C , are observed. The previously reported Al 3 Y 5 , AlY 3 compounds were not found. A revised Al-Y phase diagram is presented mainly based on the present experimental results

Common phase diagram for low-dimensional superconductors

International Nuclear Information System (INIS)

Michalak, Rudi

2003-01-01

A phenomenological phase diagram which has been derived for high-temperature superconductors from NMR Knight-shift measurements of the pseudogap is compared to the phase diagram that is obtained for organic superconductors and spin-ladder superconductors, both low-dimensional systems. This is contrasted to the phase diagram of some Heavy Fermion superconductors, i.e. superconductors not constrained to a low dimensionality

Predictive calculation of phase formation in Al-rich Al-Zn-Mg-Cu-Sc-Zr alloys using a thermodynamic Mg-alloy database

International Nuclear Information System (INIS)

Groebner, J.; Rokhlin, L.L.; Dobatkina, T.V.; Schmid-Fetzer, R.

2007-01-01

Three series of Al-rich alloys in the system Al-Zn-Mg-Cu-Sc-Zr and the subsystems Al-Zn-Mg-Cu-Sc and Al-Zn-Mg-Sc were studied by thermodynamic calculations. Phase formation was compared with experimental data obtained by DTA and microstructural analysis. Calculated phase diagrams, phase amount charts and enthalpy charts together with non-equilibrium calculations under Scheil conditions reveal significant details of the complex phase formation. This enables consistent and correct interpretation of thermal analysis data. Especially the interpretation of liquidus temperature and primary phase is prone to be wrong without using this tool of computational thermodynamics. All data are predictions from a thermodynamic database developed for Mg-alloys and not a specialized Al-alloy database. That provides support for a reasonable application of this database for advanced Mg-alloys beyond the conventional composition ranges

Predictive calculation of phase formation in Al-rich Al-Zn-Mg-Cu-Sc-Zr alloys using a thermodynamic Mg-alloy database

Energy Technology Data Exchange (ETDEWEB)

Groebner, J. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch Strasse 42, D-38678 Clausthal-Zellerfeld (Germany); Rokhlin, L.L. [Baikov Institute of Metallurgy and Materials Science, Leninsky prosp. 49, 119991 GSP-1, Moscow (Russian Federation); Dobatkina, T.V. [Baikov Institute of Metallurgy and Materials Science, Leninsky prosp. 49, 119991 GSP-1, Moscow (Russian Federation); Schmid-Fetzer, R. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch Strasse 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

2007-05-16

Three series of Al-rich alloys in the system Al-Zn-Mg-Cu-Sc-Zr and the subsystems Al-Zn-Mg-Cu-Sc and Al-Zn-Mg-Sc were studied by thermodynamic calculations. Phase formation was compared with experimental data obtained by DTA and microstructural analysis. Calculated phase diagrams, phase amount charts and enthalpy charts together with non-equilibrium calculations under Scheil conditions reveal significant details of the complex phase formation. This enables consistent and correct interpretation of thermal analysis data. Especially the interpretation of liquidus temperature and primary phase is prone to be wrong without using this tool of computational thermodynamics. All data are predictions from a thermodynamic database developed for Mg-alloys and not a specialized Al-alloy database. That provides support for a reasonable application of this database for advanced Mg-alloys beyond the conventional composition ranges.

Ternary alloy systems. Phase diagrams, crystallographic and thermodynamic data critically evaluated by MSIT registered. Subvol. C. Non-ferrous metal systems. Pt. 4: Selected nuclear materials and engineering systems

International Nuclear Information System (INIS)

Effenberg, Guenter; Ilyenko, Svitlana; Aldinger, Fritz; Bochvar, Nataliya; Cacciamani, Gabriele

2007-01-01

The present volume in the New Series of Landolt-Boernstein provides critically evaluated data on phase diagrams, crystallographic and thermodynamic data of ternary alloy systems. Reliable phase diagrams provide materials scientists and engineers with basic information important for fundamental research, development and optimization of materials. The often conflicting literature data have been critically evaluated by Materials Science International Team, MSIT registered , a team working together since many years, and with expertise in a broad range of methods, materials and applications. All evaluation reports published here have undergone a thorough review process in which the reviewers had access to all the original data. The data for each ternary system are provided in a standard format which includes text, tables and diagrams. The topics presented are literature data, binary systems, solid phases, pseudobinary systems, invariant equilibria, liquidus, solidus, and solvus surfaces, isothermal sections, temperature-composition sections, thermodynamics, materials properties and applications, and miscellanea. Finally, a detailed bibliography of all cited references is provided. In the present volume IV/11C selected non-ferrous-metal systems are considered, especially selected nuclear materials and engineering systems in this Part 4. (orig.)

Identification of phases in zinc alloy powders using electron backscatter diffraction

Energy Technology Data Exchange (ETDEWEB)

Perez, Martin G. [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States); Kenik, Edward A. [Oak Ridge National Laboratory, 100 Bethel Valley Rd., Bldg. 4515, MS-6064, P.O. Box 2008, Oak Ridge, TN 37831 (United States); O' Keefe, Matthew J. [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States)]. E-mail: mjokeefe@umr.edu; Miller, F. Scott [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States); Johnson, Benedict [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States)

2006-05-25

Scanning electron microscopy and electron backscatter diffraction (EBSD) were used for the structural characterization of phases in Zn alloy powders. Commercial Zn alloy powders contained additions of <1000 ppm of Bi, In, Al or Mg. Bismuth and In have extremely low solubility in Zn and form intermetallic Bi-In compounds which segregate to the Zn grain boundaries. The Bi-In phases were <0.3 {mu}m in size, had low melting points, and were not abundant enough for EBSD analysis. Increasing the alloying additions 20-40-fold resulted in Bi-In phases >1 {mu}m that could be used for EBSD analysis for phase characterization. Deformation-free microstructures were obtained by mechanical polishing and ion milling. The Zn matrix was characterized as Zn via EBSD. A BiIn{sub 2} phase was identified in the powder microstructures via EBSD. An In phase with 8-9 wt.% Bi was identified using low voltage energy dispersive spectroscopy and closely matched the composition predicted by the Bi-In phase diagram.

Phase diagram of classical electronic bilayers

International Nuclear Information System (INIS)

Ranganathan, S; Johnson, R E

2006-01-01

Extensive molecular dynamics calculations have been performed on classical, symmetric electronic bilayers at various values of the coupling strength Γ and interlayer separation d to delineate its phase diagram in the Γ-d plane. We studied the diffusion, the amplitude of the main peak of the intralayer static structure factor and the peak positions of the intralayer pair correlation function with the aim of defining equivalent signatures of freezing and constructing the resulting phase diagram. It is found that for Γ greater than 75, crystalline structures exist for a certain range of interlayer separations, while liquid phases are favoured at smaller and larger d. It is seen that there is good agreement between our phase diagram and previously published ones

Phase diagram of classical electronic bilayers

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, S [Department of Physics, Royal Military College of Canada, Kingston, Ontario K7K 7B4 (Canada); Johnson, R E [Department of Mathematics and Computer Science, Royal Military College of Canada, Kingston, Ontario K7K 7B4 (Canada)

2006-04-28

Extensive molecular dynamics calculations have been performed on classical, symmetric electronic bilayers at various values of the coupling strength {gamma} and interlayer separation d to delineate its phase diagram in the {gamma}-d plane. We studied the diffusion, the amplitude of the main peak of the intralayer static structure factor and the peak positions of the intralayer pair correlation function with the aim of defining equivalent signatures of freezing and constructing the resulting phase diagram. It is found that for {gamma} greater than 75, crystalline structures exist for a certain range of interlayer separations, while liquid phases are favoured at smaller and larger d. It is seen that there is good agreement between our phase diagram and previously published ones.

Determination of new time-temperature-transformation diagrams for lead-calcium alloys

Energy Technology Data Exchange (ETDEWEB)

Rossi, F.; Lambertin, M. [Arts et Metiers Paristech, LaBoMaP, ENSAM, Rue porte de Paris, 71250 Cluny (France); Delfaut-Durut, L. [CEA, centre de Valduc [SEMP, LECM], 21120 Is-sur-Tille (France); Maitre, A. [SPCTS, UFR Sciences et techniques, 87060 Limoges (France); Vilasi, M. [LCSM, Universite Nancy I, 54506 Vandoeuvre les Nancy (France)

2008-12-01

The Pb-Ca is an age hardening alloy that allows for an increase in the hardness compared to pure lead. The hardening is obtained after different successive ageing transformations. In addition, this hardening is followed by an overageing which induces a softening. The ageing and overageing transformation mechanisms are now well identified in lead-calcium alloys. In this paper, we propose to represent the domain of stability of each transformation via time-temperature-transformation diagrams for a calcium concentration from 600 to 1280 ppm and in a range of temperatures from -20 to 180 C. These diagrams are constructed with the data obtained by in situ ageing with metallographic observations, hardness and electrical resistance measurements. The specificities of lead-calcium such as its fast ageing at ambient temperature and its overageing over time required the design of specific devices to be able to identify the characteristics of these alloys. (author)

Phase constitution and corrosion resistance of Al–Co alloys

Energy Technology Data Exchange (ETDEWEB)

Palcut, Marián, E-mail: marian.palcut@gmail.com; Priputen, Pavol; Šalgó, Kristián; Janovec, Jozef

2015-09-15

Al–24Co, Al–25Co, Al–26Co, Al–27Co and Al–28Co alloys (composition in atomic percent) were prepared by arc-melting in high purity argon. Each alloy was found to consist of several microstructure constituents. Precipitation sequences of different intermetallic compounds were described based on a previously published Al–Co phase diagram and non-equilibrium processes taking place during casting. Electrochemical corrosion was investigated by potentiodynamic polarization in aqueous NaCl solution at room temperature. A large amount of pitting is observed, with some of the phases being preferentially corroded. The nobility of Al–Co intermetallic compounds is discussed in terms of chemical composition and crystal structure. Conclusions towards the alloy stability are provided. - Highlights: • Al–24Co to Al–28Co alloys were prepared by arc-melting in high purity argon. • Precipitation sequences of different intermetallic compounds have been observed. • Anodic alloy dissolution takes place by galvanic mechanism. • Nobility of Al–Co intermetallic compounds increases with increasing Co concentration.

Experimental phases diagram Zr-Fe and Zr-Sn-Fe of the Fe rich zone at a temperature of 1100oC

International Nuclear Information System (INIS)

Nieva, N.; Jimenez, J.; Gomez, A; Granovsky, M.S

2010-01-01

Zr-based alloys are frequently used in the nuclear energy industry; among these are the Zr-based Zircaloys whose main alloys are Sn and Fe. In order to experimentally evaluate part of the diagram of the binary Zr-Fe phases and the ternary Zr-Sn-Fe in the Fe-rich zone, different binary alloys in the area closest to the composition of the ZrFe 2 and Zr 6 Fe 23 compounds were designed as well as a ternary alloy of Zr-Sn-Fe in the Fe-rich region of the ternary system. All the alloys underwent a two month heat treatment at a temperature of 1100 o C. Later the phases that were present were identified using different complementary techniques (mainly X-ray diffraction and microanalysis). The clear presence of the Zr 6 Fe 23 phase was not observed in any of the alloys. A new ternary phase consisting approximately of Zr 2 0Sn 14 Fe 66 was verified in the ternary alloy

Lattice and Phase Diagram in QCD

International Nuclear Information System (INIS)

Lombardo, Maria Paola

2008-01-01

Model calculations have produced a number of very interesting expectations for the QCD Phase Diagram, and the task of a lattice calculations is to put these studies on a quantitative grounds. I will give an overview of the current status of the lattice analysis of the QCD phase diagram, from the quantitative results of mature calculations at zero and small baryochemical potential, to the exploratory studies of the colder, denser phase.

Formation of nano quasicrystalline and crystalline phases by mechanical alloying

International Nuclear Information System (INIS)

Shamah, A.M.; Ibrahim, S.; Hanna, F.F.

2011-01-01

Research highlights: → Mechanical alloying (MA) is an important method to investigate the formation of nano sized quasicrystalline phases in Al 86 Cr 14 , Al 84 Fe 16 and Al 62.5 Cu 25 Fe 12.5 compounds. The second part of the present work is an attempt to examine the possibility of formation of the i-phase of the Al 62.5 Cu 25 Fe 12.5 , which lies in the region of the perfect i-phase in the ternary phase diagram, by rapid solidification method. To perform the obtained quasi phase mechanical alloying and heat treatment at the rapid solidified sample were done. - Abstract: In the present work, the formation of nano quasicrystalline icosahedral phase in Al 86 Cr 14 , Al 84 Fe 16 and Al 62.5 Cu 25 Fe 12.5 alloys has been investigated by mechanical alloying. Mixtures of quasicrystalline and related crystalline phases have been observed under various milling conditions. The X-ray diffraction, differential thermal analysis and electrical resistivity techniques have been used for characterization and physical property measurements. The particle size was calculated by X-ray profile using Williamson-Hall plot method and it was found to be 25-50 nm size.

Continuous cooling transformation diagrams for 6XXX aluminium alloys

International Nuclear Information System (INIS)

Bryantsev, P Yu

2009-01-01

Continuous cooling transformation diagrams of aluminum solid solution decomposition in range of cooling rates 100-1900 deg. C/h were built for some alloys of Al-Mg-Si-Fe system. Influence of cooling rate and chemical composition on temperatures of start and finish of solution decomposition was determined.

On the quantitative X-ray phase analysis of R-Co alloys

International Nuclear Information System (INIS)

Lyubushkin, V.A.; Lyubushkina, L.M.; Vetoshkin, I.D.

1982-01-01

Using the method of quantitative X-ray phase analysis two-phase (RCo 5 -R 2 Co 17 ) alloys Sm-Co and Pr-Co have been studied. The investigations are made using the DRON-2.0 dif,ractometer in filtrated FeKα-radiation. Calibration diagrams for model binary mixtures are built, their use is recommended for express-evaluation of the amount of the phase determined. Test of the technique suggested is carried out

Ab-initio study of phase stability, elastic and thermodynamic properties of AlY alloy under pressure

Energy Technology Data Exchange (ETDEWEB)

Zhou, Dawei [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China); Su, Taichao [Institute of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo 454000 (China); Song, Haizhen; Lu, Cheng; Zhong, Zhiguo; Lu, Zhiwen [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China); Pu, Chunying, E-mail: puchunying@126.com [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China)

2015-11-05

Using the particle swarm optimization algorithm combined with first-principles methods, we explore the diagram of AlY alloy up to 250 GPa. It is found that AlDy phase, rather than the experimentally observed B2 phase, is the most stable structure at 0 K and 0–20 GPa. However, our results show that B2 phase can exist as a stable phase at 20–27.6 GPa. At higher pressure, four new high-pressure phases with Cmcm-I, Cmcm-II, I4/mmm and P4/nmm structure are identified for the first time. The hardness, elastic and thermodynamic properties of the newly found phases are investigated and compared with B2 phase. The calculated hardness of AlDy, Cmcm-I, Cmcm-II, I4/mmm and P4/nmm phases is in the range of 7–9 GPa, higher than that of B2 phase. In addition, it is found that AlDy phase is a brittle material at 0 GPa, which changes to a ductile material above 12 GPa. Except for AlDy phase, all the other AlY compounds exhibit completely ductile behavior under pressure. Compared with the other phases, B2 phase is found to have the best ductility and the largest elastic anisotropy over the whole pressure investigated. Moreover, all AlY intermetallics exhibit a nearly elastic isotropy in compressibility but a comparatively large elastic anisotropy in shear. The structural stability, electronic structure, bulk and shear modulus, Debye temperature as well as sound velocities of AlY alloy under pressure are also deeply discussed. - Graphical abstract: Pressure-induced phase transition of AlY alloy up to 250 GPa. - Highlights: • The diagram of AlY alloy was explored and four new stable phases were predicted. • B2 phase shows the largest ductility and elastic anisotropy among AlY alloys. • All AlY alloys exhibit ductile behavior except for AlDy phase under pressure. • All AlY alloys show strong isotropy in compressibility and anisotropy in shear.

Thermodynamic assessment and the composition prediction of amorphous alloy in the Fe–B–Er alloy system

International Nuclear Information System (INIS)

Wang, S.L.; Han, J.J.; Wang, C.P.; Kou, S.Z.; Liu, X.J.

2012-01-01

Highlights: ► The thermodynamic parameters of each phase in the Fe–Er and B–Er binary systems were obtained. ► An agreement between the calculated results and experimental data was obtained in each binary system. ► The liquidus surface of Fe–B–Er system has been calculated by means of CALPHAD. ► The investigation of GFA in Fe-rich alloys in the context of Fe–B–Er liquidus surface proves the significance of calculated phase diagram in the composition design of Fe-based metallic glass. - Abstract: The phase diagrams and thermodynamic properties in the Fe–Er and B–Er binary systems have been assessed by using the CALPHAD (Calculation of Phase Diagrams) method on the basis of the experimental data including the thermodynamic properties and phase equilibria. The thermodynamic parameters of each phase in the Fe–Er and B–Er binary systems were obtained, and an agreement between the calculated results and experimental data was obtained in each binary system. The isothermal sections at different temperatures and liquidus surface in the Fe–B–Er system have been calculated based on the binary thermodynamic data assessed in the present work. In addition, by considering that the glass formation composition of amorphous alloy is closely relative to the eutectic point in corresponding phase diagram, the investigation of glass-forming ability (GFA) in Fe-rich alloys in the Fe–B–Er liquidus surface has also been implemented in this work. The experimental result indicates that the GFA of a certain alloy is intimately relative to its location in the phase diagram, which proves that the phase diagram is an efficient tool for the composition design of Fe-based amorphous alloy.

Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties

International Nuclear Information System (INIS)

Johansson, B.; Rosengren, A.

1975-01-01

A ''generalized'' phase diagram is constructed empirically for the lanthanides. This diagram makes it possible, not only in one picture, to assemble a lot of information but also to predict phase transitions not yet experimentally accessible. Further, it clearly illustrates the close relation between the members of the lanthanide group. To account for some of its features, the pseudopotential method is applied. The trend in crystal structure through the lanthanide series can thereby be qualitatively accounted for, as can the trend in crystal structure for an individual element, when compressed. A scaling procedure makes it possible to extend the treatment to elements neighboring the lanthanides in the Periodic Table. In total 25 elements are considered. An atomic parameter f (relatable to the pseudopotential) is introduced, by means of which different phase transitions, both for an individual rare-earth element and intra-rare-earth alloys, can be correlated to certain critical values of this parameter. A nonmagnetic rare-earth series (Sc, Lu, Y, La, and Ac) is introduced and the occurrence of superconductivity is discussed with special emphasis on the pressure dependence of the transition temperature. This temperature can be correlated to the above-mentioned parameter f, both for intra-rare-earth alloys and pure elements at different pressures. The correlation implies that actinium is a superconductor with a critical temperature which could be as high as (11--12) degree K

Pitfalls and feedback when constructing topological pressure-temperature phase diagrams

Science.gov (United States)

Ceolin, R.; Toscani, S.; Rietveld, Ivo B.; Barrio, M.; Tamarit, J. Ll.

2017-04-01

The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, experimental complications quickly increase in the case of crystalline trimorphism (and higher order polymorphism). To ensure the accurate positioning of stable phase domains, a topological phase diagram needs to be consistent. This paper gives an example of how thermodynamic feedback can be used in the topological construction of phase diagrams to ensure overall consistency in a phase diagram based on the case of piracetam crystalline trimorphism.

Estimated D2--DT--T2 phase diagram in the three-phase region

International Nuclear Information System (INIS)

Souers, P.C.; Hickman, R.G.; Tsugawa, R.T.

1976-01-01

A composite of experimental eH 2 -D 2 phase-diagram data at the three-phase line is assembled from the literature. The phase diagram is a smooth cigar shape without a eutectic point, indicating complete miscibility of liquid and solid phases. Additional data is used to estimate the D 2 -T 2 , D 2 DT, and DT-T 2 binary phase diagrams. These are assembled into the ternary D 2 -DT-T 2 phase diagram. A surface representing the chemical equilibrium of the three species is added to the phase diagram. At chemical equilibrium, it is estimated that 50-50 liquid D-T at 19.7 0 K is in equilibrium with 42 mole percent T vapor and 54 percent T solid. Infrared spectroscopy is suggested as a means of component analysis of liquid and solid mixtures

The kinetics of phase transformations of undercooled austenite of the Mn-Ni iron based model alloy

OpenAIRE

E. Rożniata; R. Dziurka; J. Pacyna

2011-01-01

Purpose: Present work corresponds to the research on the kinetics of phase transformations of undercooled austenite of Mn-Ni iron based model alloy. The kinetics of phase transformations of undercooled austenite of investigated alloy was presented on CCT diagram (continuous cooling transformation). Also the methodology of a dilatometric samples preparation and the method of the critical points determination were described.Design/methodology/approach: The austenitising temperature was defined ...

Phase diagram of an extended Agassi model

Science.gov (United States)

García-Ramos, J. E.; Dukelsky, J.; Pérez-Fernández, P.; Arias, J. M.

2018-05-01

Background: The Agassi model [D. Agassi, Nucl. Phys. A 116, 49 (1968), 10.1016/0375-9474(68)90482-X] is an extension of the Lipkin-Meshkov-Glick (LMG) model [H. J. Lipkin, N. Meshkov, and A. J. Glick, Nucl. Phys. 62, 188 (1965), 10.1016/0029-5582(65)90862-X] that incorporates the pairing interaction. It is a schematic model that describes the interplay between particle-hole and pair correlations. It was proposed in the 1960s by D. Agassi as a model to simulate the properties of the quadrupole plus pairing model. Purpose: The aim of this work is to extend a previous study by Davis and Heiss [J. Phys. G: Nucl. Phys. 12, 805 (1986), 10.1088/0305-4616/12/9/006] generalizing the Agassi model and analyze in detail the phase diagram of the model as well as the different regions with coexistence of several phases. Method: We solve the model Hamiltonian through the Hartree-Fock-Bogoliubov (HFB) approximation, introducing two variational parameters that play the role of order parameters. We also compare the HFB calculations with the exact ones. Results: We obtain the phase diagram of the model and classify the order of the different quantum phase transitions appearing in the diagram. The phase diagram presents broad regions where several phases, up to three, coexist. Moreover, there is also a line and a point where four and five phases are degenerated, respectively. Conclusions: The phase diagram of the extended Agassi model presents a rich variety of phases. Phase coexistence is present in extended areas of the parameter space. The model could be an important tool for benchmarking novel many-body approximations.

Formation of nano quasicrystalline and crystalline phases by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Shamah, A.M.; Ibrahim, S. [Faculty of Petroleum and Mining Engineering, Suez Canal University, Suez (Egypt); Hanna, F.F., E-mail: fariedhanna@yahoo.com [Faculty of Petroleum and Mining Engineering, Suez Canal University, Suez (Egypt)

2011-02-03

Research highlights: > Mechanical alloying (MA) is an important method to investigate the formation of nano sized quasicrystalline phases in Al{sub 86}Cr{sub 14}, Al{sub 84}Fe{sub 16} and Al{sub 62.5}Cu{sub 25}Fe{sub 12.5} compounds. The second part of the present work is an attempt to examine the possibility of formation of the i-phase of the Al{sub 62.5}Cu{sub 25}Fe{sub 12.5}, which lies in the region of the perfect i-phase in the ternary phase diagram, by rapid solidification method. To perform the obtained quasi phase mechanical alloying and heat treatment at the rapid solidified sample were done. - Abstract: In the present work, the formation of nano quasicrystalline icosahedral phase in Al{sub 86}Cr{sub 14}, Al{sub 84}Fe{sub 16} and Al{sub 62.5}Cu{sub 25}Fe{sub 12.5} alloys has been investigated by mechanical alloying. Mixtures of quasicrystalline and related crystalline phases have been observed under various milling conditions. The X-ray diffraction, differential thermal analysis and electrical resistivity techniques have been used for characterization and physical property measurements. The particle size was calculated by X-ray profile using Williamson-Hall plot method and it was found to be 25-50 nm size.

Ferroelectric Phase Diagram of PVDF:PMMA

OpenAIRE

Li, Mengyuan; Stingelin, Natalie; Michels, Jasper J.; Spijkman, Mark-Jan; Asadi, Kamal; Feldman, Kirill; Blom, Paul W. M.; de Leeuw, Dago M.

2012-01-01

We have investigated the ferroelectric phase diagram of poly(vinylidene fluoride) (PVDF) and poly(methyl methacrylate) (PMMA). The binary nonequilibrium temperature composition diagram was determined and melting of alpha- and beta-phase PVDF was identified. Ferroelectric beta-PVDF:PMMA blend films were made by melting, ice quenching, and subsequent annealing above the glass transition temperature of PMMA, close to the melting temperature of PVDF. Addition of PMMA suppresses the crystallizatio...

Phase separation and antisite defects in the thermoelectric TiNiSn half-Heusler alloys

International Nuclear Information System (INIS)

Kirievsky, K.; Gelbstein, Y.; Fuks, D.

2013-01-01

The half-Heusler TiNiSn alloys have recently gained an attention as promising candidates for thermoelectric applications. Improvement of these alloys for such applications can be obtained by both electronic and compositional optimizations. The latter can result in a miscibility gap, allowing a phase separation in the nano-scale and consequently a thermal conductivity reduction. Combination of ab initio calculations and statistical thermodynamics was applied for studying the relative stability of a number of superstructures in TiNiSn based alloys. The quasi-binary phase diagram beyond T=0 K for TiNiSn–TiNi 2 Sn solid solutions was calculated using energy parameters extracted from the total energy calculations for ordered structures in the Ni sublattice. We demonstrated that a decomposition of the off-stoichiometric Ni-rich half-Heusler alloy into the stoichiometric TiNiSn phase and into Ni deficient Heusler TiNi 2 Sn phase occurs at elevated temperatures—an effect which recently had been observed experimentally. Furthermore, favorable energetic conditions for antisite defects formation were deduced, based on calculations of the energy of formation, an effect which was explained as a cooperative process of partial disordering on the Ni sublattice. The influence of these two effects on improvement of the thermoelectric performance of TiNiSn based half Heusler compounds is discussed. - Graphical abstract: Phase separation and antisite defects in the thermoelectric TiNiSn alloy, are covered as methods for nanostructuring and thereby enhancement of the thermoelectric potential. - Highlights: • Ab initio calculations/statistical thermodynamics was applied for studying the TiNiSn system. • The phase diagram for TiNiSn–TiNi 2 Sn solid solutions was calculated. • Decomposition of the Ni-rich HH into TiNiSn and Ni deficient TiNi 2 Sn phases was observed. • Favorable energetic conditions for antisite defects formation were deduced

Phase transformations and resulting microstructures in Ti - 47 Al -2 Cr alloy

International Nuclear Information System (INIS)

Ghasemi-Armaki, H.; Heshmati-Manesh, S.; Jafarian, H. R.; Nili-Ahmadabadi, M.

2008-01-01

During the last three decades, intermetallic alloys have focused attention because of their high strength to weight ratio and good creep resistance. Titanium aluminide alloys based on γ-Ti Al are potential candidates to replace Ni-based super alloys currently used in jet engine components at high temperatures because of their low density, high melting temperature, good elevated-temperature strength and modulus retention, high resistance to oxidation and hydrogen absorption, and excellent creep properties. One of the major concerns in these alloys is their poor ductility at room and intermediate temperatures which has been improved slightly by microstructure modifications through heat treatment. Thus, modification of microstructure during cooling and CCT diagram in these alloys is of vital importance. In this study, Ti - 47 Al - 2 Cr intermetallic alloy has been prepared by remelting 4 times with a vacuum arc remelting furnace. Homogenizing treatment was done at 1125 d eg C for 72 h in a sealed vacuum quartz tube. All heat treatments on the samples were carried out in a vacuum heat treatment furnace under a pressure of 10 -1 bar. The atmosphere inside the furnace was changed to that of high purity argon for each heat treatment as an added precaution against oxidation. In this paper, phase transformations in a γ-Ti Al based intermetallic alloy containing chromium were investigated. Heat treatments on samples of this alloy at temperatures above Tα and subsequent cooling with various cooling rates resulted in variety of microstructures. The schematic CCT diagram for this alloy was drawn from microstructural studies using microscopy routs and X-ray diffraction. Then, cyclic heat treatment with grain refining purpose was conducted on a sample of this alloy having massive gamma microstructure. During cyclic heat treatment, gradual dissociation of the gamma phase resulted in the formation of a Widmanstaetten type structure. Trend of microstructure evolution and

Phase diagram of spiking neural networks.

Science.gov (United States)

Seyed-Allaei, Hamed

2015-01-01

In computer simulations of spiking neural networks, often it is assumed that every two neurons of the network are connected by a probability of 2%, 20% of neurons are inhibitory and 80% are excitatory. These common values are based on experiments, observations, and trials and errors, but here, I take a different perspective, inspired by evolution, I systematically simulate many networks, each with a different set of parameters, and then I try to figure out what makes the common values desirable. I stimulate networks with pulses and then measure their: dynamic range, dominant frequency of population activities, total duration of activities, maximum rate of population and the occurrence time of maximum rate. The results are organized in phase diagram. This phase diagram gives an insight into the space of parameters - excitatory to inhibitory ratio, sparseness of connections and synaptic weights. This phase diagram can be used to decide the parameters of a model. The phase diagrams show that networks which are configured according to the common values, have a good dynamic range in response to an impulse and their dynamic range is robust in respect to synaptic weights, and for some synaptic weights they oscillates in α or β frequencies, independent of external stimuli.

Experimental investigation and thermodynamic calculations of the Bi–In–Ni phase diagram

International Nuclear Information System (INIS)

Premović, Milena; Minić, Duško; Manasijević, Dragan; Ćosović, Vladan; Živković, Dragana; Dervišević, Irma

2015-01-01

Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of several vertical sections. • Calculated horizontal section, confirmed by experimental SEM–EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Bi–In–Ni system. - Abstract: Phase diagram of the Bi–In–Ni ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and X-ray powder diffraction (XRD) analysis. Experimentally obtained results were compared with the results of thermodynamic calculation of phase equilibria based on calculation of phase diagram (CALPHAD) method and literature data. Phase transition temperatures of alloys with overall compositions along three selected vertical sections In–Bi 0.8 Ni 0.2 , x(Bi) = 0.6 and Bi–In 0.5 Ni 0.5 were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 100 °C, 300 °C and 350 °C was carried out using SEM–EDS and XRD methods. The obtained results were compared with the calculated isothermal sections of the Bi–In–Ni ternary system at corresponding temperatures. Calculated liquidus projection and invariant equilibria of the Bi–In–Ni ternary system were presented

Monotectic four-phase reaction in Al-Bi-Zn alloys

Energy Technology Data Exchange (ETDEWEB)

Groebner, J. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Mirkovic, D. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, R. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

2005-06-15

Thermodynamic phase diagram calculations were used for the systematic search for a monotectic four-phase reaction in ternary Al-alloys. Systems with intermetallic phases and also the elements Cd and Hg were excluded in the present search. The ternary Al-Bi-Zn is a rare occasion where such a reaction, L' = L' + (Al)' + (Zn), actually occurs. Experimental work could be focused on key samples in that system and involved DSC for thermal analysis and calorimetry, and also metallographic analysis using SEM/EDX. Experimental results verify the existence of the monotectic reaction and were also used for a quantitative thermodynamic modeling of Al-Bi-Zn. Solidification paths and microstructures of Al-Bi-Zn alloys are shown to be rather complex. Using thermodynamic calculations, these rich details involving up to three invariant reactions and unexpected monovariant reaction types can be clearly revealed and understood.

Applications of Phase Diagrams in Metallurgy and Ceramics: Proceedings of a Workshop Held at the National Bureau of Standards, Gaithersburg, Maryland, January 10-12, 1977. Volumes 1 [and] 2.

Science.gov (United States)

Carter, G. C., Ed.

This document is a special National Bureau of Standards publication on a Workshop on Applications of Phase Diagrams in Metallurgy and Ceramics. The purposes of the Workshop were: (1) to assess the current national and international status of phase diagram determinations and evaluations for alloys, ceramics and semiconductors; (2) to determine the…

Stress-temperature phase diagram of a ferromagnetic Ni-Mn-Ga shape memory alloy

International Nuclear Information System (INIS)

Chernenko, V.A.; Pons, J.; Cesari, E.; Ishikawa, K.

2005-01-01

A sequence of thermally and stress-induced intermartensitic transformations has been found in a Ni 52.0 Mn 24.4 Ga 23.6 single crystal, which have been confirmed by transmission electron microscopy through in situ cooling experiments. The stress-strain-temperature behavior under compression along the P and P crystallographic directions has also been studied for this compound and a stress-temperature phase diagram has been established

Infrared thermography method for fast estimation of phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Palomo Del Barrio, Elena [Université de Bordeaux, Institut de Mécanique et d’Ingénierie, Esplanade des Arts et Métiers, 33405 Talence (France); Cadoret, Régis [Centre National de la Recherche Scientifique, Institut de Mécanique et d’Ingénierie, Esplanade des Arts et Métiers, 33405 Talence (France); Daranlot, Julien [Solvay, Laboratoire du Futur, 178 Av du Dr Schweitzer, 33608 Pessac (France); Achchaq, Fouzia, E-mail: fouzia.achchaq@u-bordeaux.fr [Université de Bordeaux, Institut de Mécanique et d’Ingénierie, Esplanade des Arts et Métiers, 33405 Talence (France)

2016-02-10

Highlights: • Infrared thermography is proposed to determine phase diagrams in record time. • Phase boundaries are detected by means of emissivity changes during heating. • Transition lines are identified by using Singular Value Decomposition techniques. • Different binary systems have been used for validation purposes. - Abstract: Phase change materials (PCM) are widely used today in thermal energy storage applications. Pure PCMs are rarely used because of non adapted melting points. Instead of them, mixtures are preferred. The search of suitable mixtures, preferably eutectics, is often a tedious and time consuming task which requires the determination of phase diagrams. In order to accelerate this screening step, a new method for estimating phase diagrams in record time (1–3 h) has been established and validated. A sample composed by small droplets of mixtures with different compositions (as many as necessary to have a good coverage of the phase diagram) deposited on a flat substrate is first prepared and cooled down to ambient temperature so that all droplets crystallize. The plate is then heated at constant heating rate up to a sufficiently high temperature for melting all the small crystals. The heating process is imaged by using an infrared camera. An appropriate method based on singular values decomposition technique has been developed to analyze the recorded images and to determine the transition lines of the phase diagram. The method has been applied to determine several simple eutectic phase diagrams and the reached results have been validated by comparison with the phase diagrams obtained by Differential Scanning Calorimeter measurements and by thermodynamic modelling.

The equilibrium phase diagram of the magnesium-copper-yttrium system

International Nuclear Information System (INIS)

Mezbahul-Islam, Mohammad; Kevorkov, Dmytro; Medraj, Mamoun

2008-01-01

Thermodynamic modelling of the Mg-Cu-Y system is carried out as a part of thermodynamic database construction for Mg alloys. This system is being modelled for the first time using the modified quasichemical model which considers the presence of short range ordering in the liquid. A self-consistent thermodynamic database for the Mg-Cu-Y system was constructed by combining the thermodynamic descriptions of the constituent binaries, Mg-Cu, Cu-Y, and Mg-Y. All the three binaries have been re-optimized based on the experimental phase equilibrium and thermodynamic data available in the literature. The constructed database is used to calculate and predict thermodynamic properties, the binary phase diagrams and liquidus projections of the ternary Mg-Cu-Y system. The current calculation results are in good agreement with the experimental data reported in the literature

A Three-dimensional Topological Model of Ternary Phase Diagram

International Nuclear Information System (INIS)

Mu, Yingxue; Bao, Hong

2017-01-01

In order to obtain a visualization of the complex internal structure of ternary phase diagram, the paper realized a three-dimensional topology model of ternary phase diagram with the designed data structure and improved algorithm, under the guidance of relevant theories of computer graphics. The purpose of the model is mainly to analyze the relationship between each phase region of a ternary phase diagram. The model not only obtain isothermal section graph at any temperature, but also extract a particular phase region in which users are interested. (paper)

Experimental investigation and thermodynamic calculations of the Ag–Bi–Ga phase diagram

International Nuclear Information System (INIS)

Minić, Duško; Premović, Milena; Manasijević, Dragan; Ćosović, Vladan; Živković, Dragana; Marković, Aleksandar

2015-01-01

Phase diagram of the Ag–Bi–Ga ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and x-ray powder diffraction (XRD) methods. Experimentally obtained results were compared with the results of thermodynamic prediction of phase equilibria based on calculation of phase diagram (CALPHAD) method. Phase transition temperatures of alloys with overall compositions along three selected vertical sections Ag–Bi 50 Ga 50 , Bi–Ag 50 Ga 50 and Ga–Ag 50 Bi 50 were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 200 °C was carried out using SEM-EDS and XRD methods. Obtained results were compared with the calculated isothermal section of the Ag–Bi–Ga ternary system at corresponding temperature. Calculated liquidus projection and invariant equilibria of the Ag–Bi–Ga ternary system were presented. The obtained values were found to be in a close agreement. - Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of three vertical sections Ag–Bi 50 Ga 50 , Bi–Ag 50 Ga 50 and Ga–Ag 50 Bi 50 . • Calculated horizontal section at 200 °C, confirmed by experimental SEM-EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Ag–Bi–Ga system

Random matrix models for phase diagrams

International Nuclear Information System (INIS)

Vanderheyden, B; Jackson, A D

2011-01-01

We describe a random matrix approach that can provide generic and readily soluble mean-field descriptions of the phase diagram for a variety of systems ranging from quantum chromodynamics to high-T c materials. Instead of working from specific models, phase diagrams are constructed by averaging over the ensemble of theories that possesses the relevant symmetries of the problem. Although approximate in nature, this approach has a number of advantages. First, it can be useful in distinguishing generic features from model-dependent details. Second, it can help in understanding the 'minimal' number of symmetry constraints required to reproduce specific phase structures. Third, the robustness of predictions can be checked with respect to variations in the detailed description of the interactions. Finally, near critical points, random matrix models bear strong similarities to Ginsburg-Landau theories with the advantage of additional constraints inherited from the symmetries of the underlying interaction. These constraints can be helpful in ruling out certain topologies in the phase diagram. In this Key Issues Review, we illustrate the basic structure of random matrix models, discuss their strengths and weaknesses, and consider the kinds of system to which they can be applied.

Phase transformations behavior in a Cu-8.0Ni-1.8Si alloy

Energy Technology Data Exchange (ETDEWEB)

Lei, Q. [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Li, Z., E-mail: lizhou6931@163.com [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China) and Key Laboratory of Nonferrous Metal Materials Science and Engineering, Ministry of Education, Changsha, 410083 (China); Wang, M.P. [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Key Laboratory of Nonferrous Metal Materials Science and Engineering, Ministry of Education, Changsha, 410083 (China); Zhang, L.; Gong, S. [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Xiao, Z. [Department of Engineering, University of Liverpool, Liverpool, L693 GH (United Kingdom); Pan, Z.Y. [Hunan Nonferrous Metals Holding Group Co., Ltd., Changsha, 410015 (China)

2011-02-24

Research highlights: > High solute concentrations Cu-Ni-Si alloy with super high strength and high conductivity has a good prospect for replacing Cu-Be alloys. At least four different kinds of precipitation products (DO{sub 22} ordered structure, {beta}-Ni{sub 3}Si precipitate, {delta}-Ni{sub 2}Si precipitate and {gamma}-Ni{sub 5}Si{sub 2} precipitate) have been observed in previous investigation. Therefore, the overall phase transformation behavior of Cu-Ni-Si alloy appears to be very complex. And most previous studies on the phase transformation usually investigated the precipitation process at only one temperature or at most a few temperatures, which is far away to establish a time-temperature-transformation (TTT) diagram for Cu-Ni-Si alloy. > The phase transformation behavior of Cu-8.0Ni-1.8Si alloy has been studied systematically at wide temperature range in this paper. The results we have gained are that: after solution treatment, followed by different conditions of isothermal treatment, DO{sub 22} ordering, discontinuous precipitation and continuous precipitation were observed in the alloy; discontinuous precipitates of {beta}-Ni{sub 3}Si phase appeared when the alloy isothermal treated at 550 deg. C for short time, which had not been reported by the previous Cu-Ni-Si system alloy's researchers in their papers; two kinds of precipitates of {beta}-Ni{sub 3}Si and {delta}-Ni{sub 2}Si were determined by the TEM characterization; the orientation relationship between the two kinds of precipitates and Cu-matrix is that: (1 1 0){sub Cu}//(1 1 0){sub {beta}}//(211-bar){sub {delta}}, [112-bar]{sub Cu}//[11-bar 2]{sub {beta}}//[3 2 4]{sub {delta}}; during overaging treatment, Cu-matrix, {beta}-Ni{sub 3}Si, {delta}-Ni{sub 2}Si and {delta}'-Ni{sub 2}Si were distinguished in the samples and the orientation relationship between the precipitates and Cu-matrix can be expressed as that: (0 2 2){sub Cu}//(0 2 2){sub {beta}}//(1 0 0){sub {delta}}, (02-bar 2){sub Cu

Calorimetric measurements of the Ca-Li liquid alloys

Directory of Open Access Journals (Sweden)

Dębski A.

2017-01-01

Full Text Available The ternary Cu-Al-Sn phase diagram is the base for several important types of alloys, with relevant industrial interest and applications. The knowledge of the melting/solidification alloys characteristics are determinant for their preparation and properties control. However, there is a lack of experimental information on the ternary phase diagram, at high temperature. In this work, several alloys, with high copper content and additions of Al, up to 10%, and Sn, up to 14% (in wt%, were studied by thermal analysis and by isothermal phase equilibria determination. The alloys liquidus and solidus lines and the binary α + β phase field, at 800 °C, are presented for the studied range of compositions.

Phase diagrams of diluted transverse Ising nanowire

International Nuclear Information System (INIS)

Bouhou, S.; Essaoudi, I.; Ainane, A.; Saber, M.; Ahuja, R.; Dujardin, F.

2013-01-01

In this paper, the phase diagrams of diluted Ising nanowire consisting of core and surface shell coupling by J cs exchange interaction are studied using the effective field theory with a probability distribution technique, in the presence of transverse fields in the core and in the surface shell. We find a number of characteristic phenomena. In particular, the effect of concentration c of magnetic atoms, the exchange interaction core/shell, the exchange in surface and the transverse fields in core and in surface shell of phase diagrams are investigated. - Highlights: ► We use the EFT to investigate the phase diagrams of Ising transverse nanowire. ► Ferrimagnetic and ferromagnetic cases are investigated. ► The effects of the dilution and the transverse fields in core and shell are studied. ► Behavior of the transition temperature with the exchange interaction is given

Phase diagram of the disordered Bose-Hubbard model

International Nuclear Information System (INIS)

Gurarie, V.; Pollet, L.; Prokof'ev, N. V.; Svistunov, B. V.; Troyer, M.

2009-01-01

We establish the phase diagram of the disordered three-dimensional Bose-Hubbard model at unity filling which has been controversial for many years. The theorem of inclusions, proven by Pollet et al. [Phys. Rev. Lett. 103, 140402 (2009)] states that the Bose-glass phase always intervenes between the Mott insulating and superfluid phases. Here, we note that assumptions on which the theorem is based exclude phase transitions between gapped (Mott insulator) and gapless phases (Bose glass). The apparent paradox is resolved through a unique mechanism: such transitions have to be of the Griffiths type when the vanishing of the gap at the critical point is due to a zero concentration of rare regions where extreme fluctuations of disorder mimic a regular gapless system. An exactly solvable random transverse field Ising model in one dimension is used to illustrate the point. A highly nontrivial overall shape of the phase diagram is revealed with the worm algorithm. The phase diagram features a long superfluid finger at strong disorder and on-site interaction. Moreover, bosonic superfluidity is extremely robust against disorder in a broad range of interaction parameters; it persists in random potentials nearly 50 (!) times larger than the particle half-bandwidth. Finally, we comment on the feasibility of obtaining this phase diagram in cold-atom experiments, which work with trapped systems at finite temperature.

Phase Diagrams of Electrostatically Self-Assembled Amphiplexes

Energy Technology Data Exchange (ETDEWEB)

V Stanic; M Mancuso; W Wong; E DiMasi; H Strey

2011-12-31

We present the phase diagrams of electrostatically self-assembled amphiplexes (ESA) comprised of poly(acrylic acid) (PAA), cetyltrimethylammonium chloride (CTACl), dodecane, pentanol, and water at three different NaCl salt concentrations: 100, 300, and 500 mM. This is the first report of phase diagrams for these quinary complexes. Adding a cosurfactant, we were able to swell the unit cell size of all long-range ordered phases (lamellar, hexagonal, Pm3n, Ia3d) by almost a factor of 2. The added advantage of tuning the unit cell size makes such complexes (especially the bicontinuous phases) attractive for applications in bioseparation, drug delivery, and possibly in oil recovery.

Thermal stability and phase transformations of martensitic Ti–Nb alloys

Directory of Open Access Journals (Sweden)

Matthias Bönisch, Mariana Calin, Thomas Waitz, Ajit Panigrahi, Michael Zehetbauer, Annett Gebert, Werner Skrotzki and Jürgen Eckert

2013-01-01

Full Text Available Aiming at understanding the governing microstructural phenomena during heat treatments of Ni-free Ti-based shape memory materials for biomedical applications, a series of Ti–Nb alloys with Nb concentrations up to 29 wt% was produced by cold-crucible casting, followed by homogenization treatment and water quenching. Despite the large amount of literature available concerning the thermal stability and ageing behavior of Ti–Nb alloys, only few studies were performed dealing with the isochronal transformation behavior of initially martensitic Ti–Nb alloys. In this work, the formation of martensites (α' and α'' and their stability under different thermal processing conditions were investigated by a combination of x-ray diffraction, differential scanning calorimetry, dilatometry and electron microscopy. The effect of Nb additions on the structural competition in correlation with stable and metastable phase diagrams was also studied. Alloys with 24 wt% Nb or less undergo a transformation sequence on heating from room temperature to 1155 K. In alloys containing >24 wt% Nb α'' martensitically reverts back to β0, which is highly unstable against chemical demixing by formation of isothermal ωiso. During slow cooling from the single phase β domain α precipitates and only very limited amounts of α'' martensite form.

Magnetic Phase Diagram of α-RuCl3

Science.gov (United States)

Sears, Jennifer; Kim, Young-June; Zhao, Yang; Lynn, Jeffrey

The layered honeycomb material α-RuCl3 is thought to possess unusual magnetic interactions including a strong bond-dependent Kitaev term, offering a potential opportunity to study a material near a well understood spin liquid phase. Although this material orders magnetically at low temperatures and is thus not a realization of a Kitaev spin liquid, it does show a broad continuum of magnetic excitations reminiscent of that expected for the spin liquid phase. It has also been proposed that a magnetic field could destabilize the magnetic order in this material and induce a transition into a spin liquid phase. Low temperature magnetization and specific heat measurements in this material have suggested a complex magnetic phase diagram with multiple unidentified magnetic phases present at low temperature. This has provided motivation for our work characterizing the magnetic transitions and phase diagram in α-RuCl3. I will present detailed bulk measurements combined with magnetic neutron diffraction measurements to map out the phase diagram and identify the various phases present.

Solid gas reaction phase diagram under high gas pressure

International Nuclear Information System (INIS)

Ishizaki, K.

1992-01-01

This paper reports that to evaluate which are the stable phases under high gas pressure conditions, a solid-gas reaction phase diagram under high gas pressure (HIP phase diagram) has been proposed by the author. The variables of the diagram are temperature, reactant gas partial pressure and total gas pressure. Up to the present time the diagrams have been constructed using isobaric conditions. In this work, the stable phases for a real HIP process were evaluated assuming an isochoric condition. To understand the effect of the total gas pressure on stability is of primary importance. Two possibilities were considered and evaluated, those are: the total gas pressure acts as an independent variable, or it only affects the fugacity values. The results of this work indicate that the total gas pressure acts as an independent variable, and in turn also affects the fugacity values

Phase diagrams of diluted transverse Ising nanowire

Energy Technology Data Exchange (ETDEWEB)

Bouhou, S.; Essaoudi, I. [Laboratoire de Physique des Matériaux et Modélisation, des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, University of Moulay Ismail, Physics Department, Faculty of Sciences, B.P. 11201 Meknes (Morocco); Ainane, A., E-mail: ainane@pks.mpg.de [Laboratoire de Physique des Matériaux et Modélisation, des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, University of Moulay Ismail, Physics Department, Faculty of Sciences, B.P. 11201 Meknes (Morocco); Max-Planck-Institut für Physik Complexer Systeme, Nöthnitzer Str. 38 D-01187 Dresden (Germany); Saber, M. [Laboratoire de Physique des Matériaux et Modélisation, des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, University of Moulay Ismail, Physics Department, Faculty of Sciences, B.P. 11201 Meknes (Morocco); Max-Planck-Institut für Physik Complexer Systeme, Nöthnitzer Str. 38 D-01187 Dresden (Germany); Ahuja, R. [Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 75120 Uppsala (Sweden); Dujardin, F. [Laboratoire de Chimie et Physique des Milieux Complexes (LCPMC), Institut de Chimie, Physique et Matériaux (ICPM), 1 Bd. Arago, 57070 Metz (France)

2013-06-15

In this paper, the phase diagrams of diluted Ising nanowire consisting of core and surface shell coupling by J{sub cs} exchange interaction are studied using the effective field theory with a probability distribution technique, in the presence of transverse fields in the core and in the surface shell. We find a number of characteristic phenomena. In particular, the effect of concentration c of magnetic atoms, the exchange interaction core/shell, the exchange in surface and the transverse fields in core and in surface shell of phase diagrams are investigated. - Highlights: ► We use the EFT to investigate the phase diagrams of Ising transverse nanowire. ► Ferrimagnetic and ferromagnetic cases are investigated. ► The effects of the dilution and the transverse fields in core and shell are studied. ► Behavior of the transition temperature with the exchange interaction is given.

Experimental investigation and thermodynamic calculations of the Ag–Bi–Ga phase diagram

Energy Technology Data Exchange (ETDEWEB)

Minić, Duško, E-mail: dminic65@open.telekom.rs [University in Priština, Faculty of Technical Science, Kos. Mitrovica (Serbia); Premović, Milena [University in Priština, Faculty of Technical Science, Kos. Mitrovica (Serbia); Manasijević, Dragan [University of Belgrade, Technical Faculty, Bor (Serbia); Ćosović, Vladan [University of Belgrade, Institute of Chemistry, Technology and Metallurgy, Belgrade (Serbia); Živković, Dragana [University of Belgrade, Technical Faculty, Bor (Serbia); Marković, Aleksandar [University in Priština, Faculty of Technical Science, Kos. Mitrovica (Serbia)

2015-10-15

Phase diagram of the Ag–Bi–Ga ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and x-ray powder diffraction (XRD) methods. Experimentally obtained results were compared with the results of thermodynamic prediction of phase equilibria based on calculation of phase diagram (CALPHAD) method. Phase transition temperatures of alloys with overall compositions along three selected vertical sections Ag–Bi{sub 50}Ga{sub 50}, Bi–Ag{sub 50}Ga{sub 50} and Ga–Ag{sub 50}Bi{sub 50} were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 200 °C was carried out using SEM-EDS and XRD methods. Obtained results were compared with the calculated isothermal section of the Ag–Bi–Ga ternary system at corresponding temperature. Calculated liquidus projection and invariant equilibria of the Ag–Bi–Ga ternary system were presented. The obtained values were found to be in a close agreement. - Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of three vertical sections Ag–Bi{sub 50}Ga{sub 50}, Bi–Ag{sub 50}Ga{sub 50} and Ga–Ag{sub 50}Bi{sub 50}. • Calculated horizontal section at 200 °C, confirmed by experimental SEM-EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Ag–Bi–Ga system.

Calculation of phase equilibria in Ti-Al-Cr-Mn quaternary system for developing lower cost titanium alloys

International Nuclear Information System (INIS)

Lu, X.G.; Li, C.H.; Chen, L.Y.; Qiu, A.T.; Ding, W.Z.

2011-01-01

Highlights: → This paper is about the concept of designing the lower cost titanium alloy. → The thermodynamic database of Ti-Al-Cr-Mn system is built up by Calphad method. → The pseudobinary sections with Cr: Mn = 3:1 and Al = 3, 4.5 and 6.0 wt% are calculated. → This may provide the theoretical support for designing the lower cost titanium alloy. - Abstract: The Ti-Al-Cr-Mn system is a potentially useful system for lower cost titanium alloy development; however, there are few reports about the experimental phase diagrams and the thermodynamical assessment for this system. In this study, the previous investigations for the thermodynamic descriptions of the sub-systems in the Ti-Al-Cr-Mn system are reviewed, our previous assessment for the related sub-systems in this quaternary system is summarized, the thermodynamical database of this quaternary system is built up by directly extrapolating from all sub-systems assessed by means of the Calphad method, then the pseudobinary sections with Cr:Mn = 3:1 and Al = 0.0, 3.0, 4.5 and 6.0 wt% are calculated, respectively. These pseudobinary phase diagrams may provide the theoretical support for designing the lower cost titanium alloys with different microstructures (α, α + β, and β titanium alloy).

High temperature phase equilibria and phase diagrams

CERN Document Server

Kuo, Chu-Kun; Yan, Dong-Sheng

2013-01-01

High temperature phase equilibria studies play an increasingly important role in materials science and engineering. It is especially significant in the research into the properties of the material and the ways in which they can be improved. This is achieved by observing equilibrium and by examining the phase relationships at high temperature. The study of high temperature phase diagrams of nonmetallic systems began in the early 1900s when silica and mineral systems containing silica were focussed upon. Since then technical ceramics emerged and more emphasis has been placed on high temperature

Unified Phase Diagram for Iron-Based Superconductors.

Science.gov (United States)

Gu, Yanhong; Liu, Zhaoyu; Xie, Tao; Zhang, Wenliang; Gong, Dongliang; Hu, Ding; Ma, Xiaoyan; Li, Chunhong; Zhao, Lingxiao; Lin, Lifang; Xu, Zhuang; Tan, Guotai; Chen, Genfu; Meng, Zi Yang; Yang, Yi-Feng; Luo, Huiqian; Li, Shiliang

2017-10-13

High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportional to the effective Curie constants of their nematic susceptibility. This unexpected scaling behavior suggests that the magnetic ground states of iron pnictides can be achieved by tuning the strength of nematic fluctuations. Therefore, a unified phase diagram can be established where superconductivity emerges from a hypothetical parent compound with a large ordered moment but weak nematic fluctuations, which suggests that iron-based superconductors are strongly correlated electron systems.

Unified Phase Diagram for Iron-Based Superconductors

Science.gov (United States)

Gu, Yanhong; Liu, Zhaoyu; Xie, Tao; Zhang, Wenliang; Gong, Dongliang; Hu, Ding; Ma, Xiaoyan; Li, Chunhong; Zhao, Lingxiao; Lin, Lifang; Xu, Zhuang; Tan, Guotai; Chen, Genfu; Meng, Zi Yang; Yang, Yi-feng; Luo, Huiqian; Li, Shiliang

2017-10-01

High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportional to the effective Curie constants of their nematic susceptibility. This unexpected scaling behavior suggests that the magnetic ground states of iron pnictides can be achieved by tuning the strength of nematic fluctuations. Therefore, a unified phase diagram can be established where superconductivity emerges from a hypothetical parent compound with a large ordered moment but weak nematic fluctuations, which suggests that iron-based superconductors are strongly correlated electron systems.

Scheil-Gulliver Constituent Diagrams

Science.gov (United States)

Pelton, Arthur D.; Eriksson, Gunnar; Bale, Christopher W.

2017-06-01

During solidification of alloys, conditions often approach those of Scheil-Gulliver cooling in which it is assumed that solid phases, once precipitated, remain unchanged. That is, they no longer react with the liquid or with each other. In the case of equilibrium solidification, equilibrium phase diagrams provide a valuable means of visualizing the effects of composition changes upon the final microstructure. In the present study, we propose for the first time the concept of Scheil-Gulliver constituent diagrams which play the same role as that in the case of Scheil-Gulliver cooling. It is shown how these diagrams can be calculated and plotted by the currently available thermodynamic database computing systems that combine Gibbs energy minimization software with large databases of optimized thermodynamic properties of solutions and compounds. Examples calculated using the FactSage system are presented for the Al-Li and Al-Mg-Zn systems, and for the Au-Bi-Sb-Pb system and its binary and ternary subsystems.

Phase shifts of the paired wings of butterfly diagrams

International Nuclear Information System (INIS)

Li Kejun; Liang Hongfei; Feng Wen

2010-01-01

Sunspot groups observed by the Royal Greenwich Observatory/US Air Force/NOAA from 1874 May to 2008 November and the Carte Synoptique solar filaments from 1919 March to 1989 December are used to investigate the relative phase shift of the paired wings of butterfly diagrams of sunspot and filament activities. Latitudinal migration of sunspot groups (or filaments) does asynchronously occur in the northern and southern hemispheres, and there is a relative phase shift between the paired wings of their butterfly diagrams in a cycle, making the paired wings spatially asymmetrical on the solar equator. It is inferred that hemispherical solar activity strength should evolve in a similar way within the paired wings of a butterfly diagram in a cycle, demonstrating the paired wings phenomenon and showing the phase relationship between the northern and southern hemispherical solar activity strengths, as well as a relative phase shift between the paired wings of a butterfly diagram, which should bring about almost the same relative phase shift of hemispheric solar activity strength. (research papers)

Magnetic phase diagrams of UNiGe

International Nuclear Information System (INIS)

Nakotte, H.; Hagmusa, I.H.; Klaasse, J.C.P.; Hagmusa, I.H.; Klaasse, J.C.P.

1997-01-01

UNiGe undergoes two magnetic transitions in zero field. Here, the magnetic diagrams of UNiGe for B parallel b and B parallel c are reported. We performed temperatures scans of the magnetization in static magnetic fields up to 19.5T applied along the b and c axes. For both orientations 3 magnetic phases have been identified in the B-T diagrams. We confirmed the previously reported phase boundaries for B parallel c, and in addition we determined the location of the phase boundaries for B parallel b. We discuss a possible relationship of the two zero-field antiferromagnetic phases (commensurate: T<42K; incommensurate: 42K< T<50K) and the field-induced phase, which, at low temperatures, occurs between 18 and 25T or 4 and 10T for B parallel b or B parallel c, respectively. Finally, we discuss the field dependence of the electronic contribution γ to the specific heat for B parallel c up to 17.5T, and we find that its field dependence is similar to the one found in more itinerant uranium compounds

Interphase thermodynamic bond in heterogeneous alloys: effects on alloy properties

International Nuclear Information System (INIS)

Savchenko, A.M.; Konovalov, Yu.V.; Yuferov, O.I.

2005-01-01

Inconsistency between a conventional thermodynamic description of alloys as a mechanical mixture of phases and a real alloys state as a common thermodynamic system in which there is a complicated physical-chemical phases interaction has been considered. It is supposed that in heterogeneous alloys (eutectic ones, for instance), so called interphase thermodynamic bond can become apparent due to a partial electron levels splitting under phase interaction. Thermodynamic description of phase equilibrium in alloys is proposed taking into account a thermodynamic bond for the system with phase diagram of eutectic type, and methods of the value of this bond estimation are presented. Experimental evidence (Al-Cu-Si, Al-Si-Mg-Cu, U-Mo + Al) of the effect of interphase thermodynamic bond on temperature and enthalpy of melting of alloys are produced as well as possibility of its effects on alloys electrical conduction, strength, heat and corrosion resistance is substantiated theoretically [ru

On the phase diagram of non-spherical nanoparticles

CERN Document Server

Wautelet, M; Hecq, M

2003-01-01

The phase diagram of nanoparticles is known to be a function of their size. In the literature, this is generally demonstrated for cases where their shape is spherical. Here, it is shown theoretically that the phase diagram of non-spherical particles may be calculated from the spherical case, at the same surface area/volume ratio, both with and without surface segregation, provided the surface tension is considered to be isotropic.

Thermodynamic aspects of grain refinement of Al-Si alloys using Ti and B

Energy Technology Data Exchange (ETDEWEB)

Groebner, Joachim [Technical University of Clausthal, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Mirkovic, Djordje [Technical University of Clausthal, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, Rainer [Technical University of Clausthal, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

2005-03-25

A thermodynamic assessment of ternary Al-Si-Ti phases was performed. Published datasets for the other subsystems were checked and adapted. Based on that, a consistent thermodynamic description of quaternary Al-Si-Ti-B alloys was generated. This was applied in a calculation of Al-Si-Ti-B phase diagram sections for practically relevant temperatures and compositions of Al-Si alloys from Al-rich to typical Al-Si foundry alloys. These stable and metastable phase diagrams could be correlated to many detailed aspects of possible reactions observed or suggested in experimental studies of grain refining. Understanding the mechanisms of grain refining of Al wrought alloys and Al-Si foundry alloys using titanium and boron requires a fundamental knowledge of both thermodynamic and kinetic aspects of this complex process. This work focuses exclusively on the thermodynamic aspects and the phase diagrams, which were not available for the quaternary alloys and partly incomplete and inconsistent for the ternary subsystems.

Phase relationships in Cu-rich corner of the Cu-Cr-Zr phase diagram

International Nuclear Information System (INIS)

Zeng, K.J.; Haemaelaeinen, M.; Lilius, K.

1995-01-01

In the available experimental information on the Cu-Cr-Zr ternary system, there exist different opinions concerning the phase relationships in the Cu-rich corner of Cu-Cr-Zr phase diagram. Glazov et al. and Zakharov et al. investigated the Cu-rich corner of the Cu-Cr-Zr phase diagram within the composition range up to 3.5 Cr and 3.5 Zr (wt. %). A quasi-eutectic reaction L → (Cu) + αCr 2 Zr was observed to occur at 1,020 C and several isothermal sections were constructed within the temperature range from 600 to 1,000 C to show the (Cu)-αCr 2 Zr two phase equilibrium. Therefore, a pseudobinary Cu-Cr 2 Zr system was supposed. Afterwards, Dawakatsu et al, Fedorov et al, and Kuznetsov et al studied the cu-rich corner of the phase diagram in a wider composition range up to 5 Cr and 20 Zr (at.%). Contrary to Glazov et al. and Zakharov et al., they found no Cr 2 Zr phase in their samples. Hence, the pseudobinary Cu-Cr 2 Zr system does not exist. In this study an experimental investigation is presented on the phase relationships in Cu-rich corner of the Cu-Cr-Zr phase diagram at 940 C in order to clear up the confusion

Refined phase diagram of boron nitride

International Nuclear Information System (INIS)

Solozhenko, V.; Turkevich, V.Z.

1999-01-01

The equilibrium phase diagram of boron nitride thermodynamically calculated by Solozhenko in 1988 has been now refined on the basis of new experimental data on BN melting and extrapolation of heat capacities of BN polymorphs into high-temperature region using the adapted pseudo-Debye model. As compared with the above diagram, the hBN left-reversible cBN equilibrium line is displaced by 60 K toward higher temperatures. The hBN-cBN-L triple point has been calculated to be at 3480 ± 10 K and 5.9 ± 0.1 GPa, while the hBN-L-V triple point is at T = 3400 ± 20 K and p = 400 ± 20 Pa, which indicates that the region of thermodynamic stability of vapor in the BN phase diagram is extremely small. It has been found that the slope of the cBN melting curve is positive whereas the slope of hBN melting curve varies from positive between ambient pressure and 3.4 GPa to negative at higher pressures

Dynamic phase transitions and dynamic phase diagrams of the Ising model on the Shastry-Sutherland lattice

Energy Technology Data Exchange (ETDEWEB)

Deviren, Şeyma Akkaya, E-mail: sadeviren@nevsehir.edu.tr [Department of Science Education, Education Faculty, Nevsehir Hacı Bektaş Veli University, 50300 Nevşehir (Turkey); Deviren, Bayram [Department of Physics, Nevsehir Hacı Bektaş Veli University, 50300 Nevsehir (Turkey)

2016-03-15

The dynamic phase transitions and dynamic phase diagrams are studied, within a mean-field approach, in the kinetic Ising model on the Shastry-Sutherland lattice under the presence of a time varying (sinusoidal) magnetic field by using the Glauber-type stochastic dynamics. The time-dependence behavior of order parameters and the behavior of average order parameters in a period, which is also called the dynamic order parameters, as a function of temperature, are investigated. Temperature dependence of the dynamic magnetizations, hysteresis loop areas and correlations are investigated in order to characterize the nature (first- or second-order) of the dynamic phase transitions as well as to obtain the dynamic phase transition temperatures. We present the dynamic phase diagrams in the magnetic field amplitude and temperature plane. The phase diagrams exhibit a dynamic tricritical point and reentrant phenomena. The phase diagrams also contain paramagnetic (P), Néel (N), Collinear (C) phases, two coexistence or mixed regions, (N+C) and (N+P), which strongly depend on interaction parameters. - Highlights: • Dynamic magnetization properties of spin-1/2 Ising model on SSL are investigated. • Dynamic magnetization, hysteresis loop area, and correlation have been calculated. • The dynamic phase diagrams are constructed in (T/|J|, h/|J|) plane. • The phase diagrams exhibit a dynamic tricritical point and reentrant phenomena.

Exploring the QCD phase diagram through relativistic heavy ion collisions

Directory of Open Access Journals (Sweden)

Mohanty Bedangadas

2014-03-01

Full Text Available We present a review of the studies related to establishing the QCD phase diagram through high energy nucleus-nucleus collisions. We particularly focus on the experimental results related to the formation of a quark-gluon phase, crossover transition and search for a critical point in the QCD phase diagram.

Re-determination of succinonitrile (SCN) camphor phase diagram

Science.gov (United States)

Teng, Jing; Liu, Shan

2006-04-01

Low-melting temperature transparent organic materials have been extensively used to study the pattern formation and microstructure evolution. It proves to be very challenging to accurately determine the phase diagram since there is no viable way to measure the composition microscopically. In this paper, we presented the detailed experimental characterization of the phase diagram of succinonitrile (SCN)-camphor binary system. Differential scanning calorimetry, a ring-heater, and the directional solidification technique have been combined to determine the details of the phase diagram by using the purified materials. The advantages and disadvantages have been discussed for the different experimental techniques. SCN and camphor constitute a simple binary eutectic system with the eutectic composition at 23.6 wt% camphor and eutectic temperature at 37.65 °C. The solidus and the solubility of the SCN base solid solution have been precisely determined for the first time in this binary system.

CALPHAD calculation of phase diagrams : a comprehensive guide

CERN Document Server

Saunders, N; Miodownik, A P

1998-01-01

This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials. Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.

The phase diagram of KNO3-KClO3

International Nuclear Information System (INIS)

Zhang Xuejun; Tian Jun; Xu Kangcheng; Gao Yici

2004-01-01

The binary phase diagram of KNO 3 -KClO 3 is studied by means of differential scanning calorimetry (DSC) and high-temperature X-ray diffraction. The limited solid solutions, K(NO 3 ) 1-x (ClO 3 ) x (0 3 ) 1-x (ClO 3 ) x (0.90 3 -based solid solutions and KClO 3 -based solid solutions phase, respectively. For KNO 3 -based solid solutions, KNO 3 ferroelectric phase can be stable from 423 to 223 K as a result of substituting of NO 3 by ClO 3 -radicals. The temperatures for solidus and liquidus have been determined based on limited solid solutions. Two models, Henrian solution and regular solution theory for KNO 3 -based (α) phase and KClO 3 -based (β) phase, respectively, are employed to reproduce solidus and liquidus of the phase diagram. The results are in good agreement with the DSC data. The thermodynamic properties for α and β solid solutions have been derived from an optimization procedure using the experimental data. The calculated phase diagram and optimized thermodynamic parameters are thermodynamically self-consistent

Conformational properties of rigid-chain amphiphilic macromolecules : The phase diagram

NARCIS (Netherlands)

Markov, V. A.; Vasilevskaya, V. V.; Khalatur, P. G.; ten Brinke, G.; Khokhlov, A. R.

The coil-globule transition in rigid-chain amphiphilic macromolecules was studied by means of computer simulation, and the phase diagrams for such molecules in the solvent quality-persistence length coordinates were constructed. It was shown that the type of phase diagram depends to a substantial

Isothermal Time-Temperature-Precipitation Diagram for an Aluminum Alloy 6005A by In Situ DSC Experiments

Directory of Open Access Journals (Sweden)

Benjamin Milkereit

2014-03-01

Full Text Available Time-temperature-precipitation (TTP diagrams deliver important material data, such as temperature and time ranges critical for precipitation during the quenching step of the age hardening procedure. Although the quenching step is continuous, isothermal TTP diagrams are often applied. Together with a so-called Quench Factor Analysis, they can be used to describe very different cooling paths. Typically, these diagrams are constructed based on mechanical properties or microstructures after an interrupted quenching, i.e., ex situ analyses. In recent years, an in situ calorimetric method to record continuous cooling precipitation diagrams of aluminum alloys has been developed to the application level by our group. This method has now been transferred to isothermal experiments, in which the whole heat treatment cycle was performed in a differential scanning calorimeter. The Al-Mg-Si-wrought alloy 6005A was investigated. Solution annealing at 540 °C and overcritical quenching to several temperatures between 450 °C and 250 °C were followed by isothermal soaking. Based on the heat flow curves during isothermal soaking, TTP diagrams were determined. An appropriate evaluation method has been developed. It was found that three different precipitation reactions in characteristic temperature intervals exist. Some of the low temperature reactions are not accessible in continuous cooling experiments and require isothermal studies.

Analyzing phase diagrams and phase transitions in networked competing populations

Science.gov (United States)

Ni, Y.-C.; Yin, H. P.; Xu, C.; Hui, P. M.

2011-03-01

Phase diagrams exhibiting the extent of cooperation in an evolutionary snowdrift game implemented in different networks are studied in detail. We invoke two independent payoff parameters, unlike a single payoff often used in most previous works that restricts the two payoffs to vary in a correlated way. In addition to the phase transition points when a single payoff parameter is used, phase boundaries separating homogeneous phases consisting of agents using the same strategy and a mixed phase consisting of agents using different strategies are found. Analytic expressions of the phase boundaries are obtained by invoking the ideas of the last surviving patterns and the relative alignments of the spectra of payoff values to agents using different strategies. In a Watts-Strogatz regular network, there exists a re-entrant phenomenon in which the system goes from a homogeneous phase into a mixed phase and re-enters the homogeneous phase as one of the two payoff parameters is varied. The non-trivial phase diagram accompanying this re-entrant phenomenon is quantitatively analyzed. The effects of noise and cooperation in randomly rewired Watts-Strogatz networks are also studied. The transition between a mixed phase and a homogeneous phase is identify to belong to the directed percolation universality class. The methods used in the present work are applicable to a wide range of problems in competing populations of networked agents.

Phase separation and structure formation in gadolinium based liquid and glassy metallic alloys

International Nuclear Information System (INIS)

Han, Junhee

2014-01-01

In this PhD research the liquid-liquid phase separation phenomena in Gd-based alloys was investigated in terms of phase equilibria, microstructure formation upon quenching the melt and corresponding magnetic properties of phase-separated metallic glasses. The phase diagrams of the binary subsystems Gd-Zr and Gd-Ti were experimentally reassessed. Especially the phase equilibria with the liquid phase could be determined directly by combining in situ high energy synchrotron X-ray diffraction with electrostatic levitation of the melt. The Gd-Zr system is of eutectic type with a metastable miscibility gap. The eutectic composition at 18 ± 2 at.% Zr, the liquidus line and the coexistence of bcc-Zr and bcc-Gd at elevated temperature could be determined. The Gd-Ti system is a monotectic system. The experimental observations in this work led to improved new Gd-Zr and Gd-Ti phase diagrams. The phase equilibria of the ternary Gd-Ti-Co system were analyzed for two alloy compositions. The XRD patterns for molten Gd 35 Ti 35 Co 30 gave direct evidence for the coexistence of two liquid phases formed by liquid-liquid phase separation. The first experimental and thermodynamic assessment of the ternary Gd-Ti-Co system revealed that the stable miscibility gap of binary Gd-Ti extends into the ternary Gd-Ti-Co system (up to about 30 at.% Co). New phase-separated metallic glasses were synthesized in Gd-TM-Co-Al (TM = Hf, Ti or Zr) alloys. The microstructure was characterized in terms of composition and cooling rate dependence of phase separation. Due to large positive enthalpy of mixing between Gd on the one side and Hf, Ti or Zr on the other side, the alloys undergo liquid-liquid phase separation during rapid quenching the melt. The parameters determining the microstructure development during phase separation are the thermodynamic properties of the liquid phase, kinetic parameters and quenching conditions. By controlling these parameters and conditions the microstructure can be

Phase diagram of supercooled water confined to hydrophilic nanopores

Science.gov (United States)

Limmer, David T.; Chandler, David

2012-07-01

We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature, and pore radius. The confining cylindrical wall is hydrophilic and disordered, which has a destabilizing effect on ordered water structure. The phase diagram for this class of systems is derived from general arguments, with parameters taken from experimental observations and computer simulations and with assumptions tested by computer simulation. Phase space divides into three regions: a single liquid, a crystal-like solid, and glass. For large pores, radii exceeding 1 nm, water exhibits liquid and crystal-like behaviors, with abrupt crossovers between these regimes. For small pore radii, crystal-like behavior is unstable and water remains amorphous for all non-zero temperatures. At low enough temperatures, these states are glasses. Several experimental results for supercooled water can be understood in terms of the phase diagram we present.

Phase diagram distortion from traffic parameter averaging.

NARCIS (Netherlands)

Stipdonk, H. Toorenburg, J. van & Postema, M.

2010-01-01

Motorway traffic congestion is a major bottleneck for economic growth. Therefore, research of traffic behaviour is carried out in many countries. Although well describing the undersaturated free flow phase as an almost straight line in a (k,q)-phase diagram, congested traffic observations and

Microstructures of erbium modified aluminum-copper alloys

Energy Technology Data Exchange (ETDEWEB)

Berghof-Hasselbaecher, Ellen; Schmidt, Gerald; Galetz, Mathias; Schuetze, Michael [DECHEMA-Forschungsinstitut, Frankfurt am Main (Germany); Masset, Patrick J. [Fraunhofer UMSICHT-ATZ Entwicklungszentrum, Sulzbach-Rosenberg (Germany); Zhang, Ligang [Technische Univ. Bergakademie Freiberg (Germany). ZIK Virtuhcon; Liu, Libin; Jin, Zhanpeng [Central South Univ., Changsha, Hunan (China)

2012-07-01

Alloying with rare earth metals improves to the mechanical properties and corrosion resistance of aluminium base alloys at high temperatures. The rare earth metal erbium may be used for grain refinement. Within a project of computer-aided alloy development based on the CALPHAD (CALculation of PHAse Diagrams) method various alloys were melted on the Al-rich side of the ternary system Al-Cu-Er under argon atmosphere and their microstructures were characterized in the as-cast state or after long-term isothermal annealing (400 C/960 h) by means of different investigation techniques. As a result, the phases fcc (Al), {tau}{sub 1}-Al{sub 8}Cu{sub 4}Er, {theta}-CuAl{sub 2}, {eta}-CuAl, and Al{sub 3}Er were identified, their compositions and fractions were quantified, and their hardnesses were determined. The experimental obtained microstructures agree very well with the calculated solidification behaviors of the cast alloys. The knowledge gained from this work about the phase compositions and microstructures can also be utilized for the fine optimization of the phase diagram. (orig.)

Phase diagram of nuclear 'pasta' and its uncertainties in supernova cores

International Nuclear Information System (INIS)

Sonoda, Hidetaka; Watanabe, Gentaro; Sato, Katsuhiko; Yasuoka, Kenji; Ebisuzaki, Toshikazu

2008-01-01

We examine the model dependence of the phase diagram of inhomogeneous nulcear matter in supernova cores using the quantum molecular dynamics (QMD). Inhomogeneous matter includes crystallized matter with nonspherical nuclei--''pasta'' phases--and the liquid-gas phase-separating nuclear matter. Major differences between the phase diagrams of the QMD models can be explained by the energy of pure neutron matter at low densities and the saturation density of asymmetric nuclear matter. We show the density dependence of the symmetry energy is also useful to understand uncertainties of the phase diagram. We point out that, for typical nuclear models, the mass fraction of the pasta phases in the later stage of the collapsing cores is higher than 10-20%

High-temperature phase transformation in Cr added TiAl base alloy

Energy Technology Data Exchange (ETDEWEB)

Abe, E.; Niinobe, K.; Nobuki, M.; Nakamura, M.; Tsujimoto, T.

1999-07-01

The authors have investigated a microstructure evolution of a Ti-48Al-3.5Cr (in at.%) alloy at high-temperatures ({gt} 1,473K). In the alloy annealed at 1673K for 1.8ks, followed by air-cooling, a characteristic microstructure with a feathery fashion was uniformly formed. From a cooling-rate-controlling study, it was found that formation of the feathery structure is accomplished during continuous cooling from 1673K to 1573K, within the {alpha} + {gamma} two-phase region. Transmission electron microscopy revealed that the feathery structure is composed of lamellar colonies (5--10{micro}m) which are crystallographically tilted slightly (a few degree) with their neighbors. A surprising fact is that lamellae in each colony are mostly the {gamma} phase with few {alpha}{sub 2} phase less than 5% in volume. This suggests that the feathery structure is a metastable product and has not resulted from the {alpha} {r{underscore}arrow} {alpha} + {gamma} transformation above 1,573 K. Instead, the feathery structure formation should be attributed to the non-equilibrium {alpha} {r{underscore}arrow} {gamma} transformation which occurs at high-temperatures with a small degree of supercooling. The authors discuss this interesting phase transformation in terms of the {alpha} {r{underscore}arrow} {gamma} massive transformation, based on the continuous-cooling-transformation (CCT) diagram constructed for the present alloy.

The liquidus surface of the Cr–Al–Nb system and re-investigation of the Cr–Nb and Al–Cr phase diagrams

International Nuclear Information System (INIS)

Stein, F.; He, C.; Wossack, I.

2014-01-01

Highlights: • Liquidus surface and reaction scheme of the Cr–Al–Nb system experimentally determined. • Solidification paths of the ternary alloys derived from as-cast microstructures. • Compositions and temperatures of the invariant points. • Revised versions of the phase diagrams of the Cr–Nb and Al–Cr boundary systems. - Abstract: The liquidus surface and corresponding reaction scheme of the ternary Cr–Al–Nb system were determined experimentally. The solidification paths of a series of more than 40 ternary alloys were deduced from investigation of their as-cast microstructures and measurement of all reaction temperatures applying scanning electron microscopy (SEM), electron probe microanalysis (EPMA), X-ray diffraction (XRD), and differential thermal analysis (DTA). The hexagonal C14-type Laves phase Nb(Cr,Al) 2 , which is not stable in any of the binary boundary systems and which is the only ternary compound, forms the most extended primary crystallization field of the ternary system dominating the centre of the liquidus surface. A ternary eutectic was found near the Al–Nb boundary composed of the three intermetallic phases C14 + Nb 2 Al + NbAl 3 . Besides the ternary liquidus surface, the solidus and liquidus curves of the Cr–Nb boundary system and of the Cr-rich part of the Al–Cr system were determined resulting in revised binary phase diagrams

Omega phase in materials

International Nuclear Information System (INIS)

Sikka, S.K.; Vohra, Y.K.; Chidambaram, R.

1982-01-01

The subject is covered in sections, entitled: introduction; occurrence and some systematics of omega phase (omega phase in Ti, Zr and Hf under high pressures; omega phase in Group IV transition metal alloys; omega in other systems; omega embryos at high temperatures); crystallography (omega structure; relationship of ω-structure to bcc (β) and hcp (α) structures); physical properties; kinetics of formation, synthesis and metastability of omega phase (kinetics of α-ω transformation under high pressures; kinetics of β-ω transformation; synthesis and metastability studies); electronic structure of omega phase (electronic structure models; band structure calculations; theoretical results and experimental studies); electronic basis for omega phase stability (unified phase diagram; stability of omega phase); omega phase formation under combined thermal and pressure treatment in alloys (Ti-V alloys under pressure - a prototype case study; P-X phase diagrams for alloys; transformation mechanisms and models for diffuse omega phase (is omega structure a charge density distortion of the bcc phase; nature of incommensurate ω-structure and models for diffuse scattering); conclusion. (U.K.)

First principles thermodynamics of alloys

International Nuclear Information System (INIS)

Ducastelle, F.

1993-01-01

We present a brief report on the methods of solid state physics (electronic structure, statistical thermodynamics) that allow us to discuss the phase stability of alloys and to determine their phase diagrams. (orig.)

Experimental determination of the Ta–Ge phase diagram

Energy Technology Data Exchange (ETDEWEB)

Araújo Pinto da Silva, Antonio Augusto, E-mail: aaaps@ppgem.eel.usp.br [EEL/USP – Escola de Engenharia de Lorena (EEL), Universidade de São Paulo (USP), Pólo Urbo-Industrial Gleba AI-6, 12602-810 Lorena, SP (Brazil); Coelho, Gilberto Carvalho [EEL/USP – Escola de Engenharia de Lorena (EEL), Universidade de São Paulo (USP), Pólo Urbo-Industrial Gleba AI-6, 12602-810 Lorena, SP (Brazil); UniFoa – Centro Universitário de Volta Redonda, Núcleo de Pesquisa, Campus Três Poços, Avenida Paulo Erlei Alves Abrantes, 1325, Bairro Três Poços, 27240-560 Volta Redonda, RJ (Brazil); Nunes, Carlos Angelo; Suzuki, Paulo Atsushi [EEL/USP – Escola de Engenharia de Lorena (EEL), Universidade de São Paulo (USP), Pólo Urbo-Industrial Gleba AI-6, 12602-810 Lorena, SP (Brazil); Fiorani, Jean Marc; David, Nicolas; Vilasi, Michel [Université de Lorraine, Institut Jean Lamour, Faculté des Sciences et Technologies, BP 70239, F-54506 Vandoeuvre-lès-Nancy (France)

2013-11-05

Highlights: •Ta–Ge phase diagram propose for the first time. •The phase αTa{sub 5}Ge{sub 3} was not observed in samples investigated in this work. •Three eutectics reactions where determined with the liquid compositions at 20.5; 28.0; 97.0 at.% Ge. -- Abstract: In the present work, the Ta–Ge phase diagram has been experimentally studied, considering the inexistence of a Ta–Ge phase diagram in the literature. The samples were prepared via arc melting and characterized by Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and X-ray Diffraction (XRD). The intermetallics phases βTa{sub 3}Ge, αTa{sub 3}Ge, βTa{sub 5}Ge{sub 3} and TaGe{sub 2} where confirmed in this system. Three eutectics reactions where determined with the liquid compositions at 20.5; 28.0; 97.0 at.% Ge. The phases βTa{sub 3}Ge and βTa{sub 5}Ge{sub 3} solidifies congruently while TaGe{sub 2} is formed through a peritectic transformation. The temperature of the Ta-rich eutectic (L ↔ Ta{sub ss} + βTa{sub 3}Ge) was measured by the Pirani-Alterthum method at 2440 °C and the Ge-rich eutectic (L ↔ TaGe{sub 2} + Ge{sub ss}) by DTA at 937 °C.

New mechanical chemical equilibrium in the copper-zinc alloys obtained by mechanical alloying

International Nuclear Information System (INIS)

Dianez, M.J; Criado, J.M; Donoso, E; Diaz, G

2006-01-01

A series of copper zinc alloys have been synthesized in the entire composition range Cu10Zn to Cu70Zn respectively, by mechanical alloying at room temperature in a planetary high-energy mill. A mechanism is proposed for the mechanical alloying reaction of the copper and zinc. It is made clear that the mechanical treatment considerably extends the range of composition of the α phase up to a content of 41% zinc, instead of the 36% accepted by the conventional phase diagrams. Exact determinations of the phase α reticular parameter were carried out as a function of its composition which can be used to determine the zinc content of the brass α. The results show that a brass phase α may be obtained containing 49% zinc in samples that include a mixture of phases α and β' after reaching stationary state as a function of the milling time. The stability field of phases β' and γ also displace noticeably higher values than those expected from the conventional binary Cu-Zn diagram. This behavior has been explained as a function of the nanometric texture generated by the milling (CW)

Fe-Cr-Ni system alloys

International Nuclear Information System (INIS)

Levin, F.L.

1986-01-01

Phase diagram of Fe-Cr-Ni system, which is the basic one for production of corrosion resistant alloys, is considered. Data on corrosion resistance of such alloys are correlated depending on a number of factors: quality and composition of modifying elements, corrosion medium, temperature, alloy structure, mechanical and thermal treatment. Grades of Fe-Ni-Cr alloys are presented, and fields of their application are pointed out

Phase stabilities at a glance: Stability diagrams of nickel dipnictides

International Nuclear Information System (INIS)

Bachhuber, F.; Rothballer, J.; Weihrich, R.; Söhnel, T.

2013-01-01

In the course of the recent advances in chemical structure prediction, a straightforward type of diagram to evaluate phase stabilities is presented based on an expedient example. Crystal structures and energetic stabilities of dipnictides NiPn 2 (Pn = N, P, As, Sb, Bi) are systematically investigated by first principles calculations within the framework of density functional theory using the generalized gradient approximation to treat exchange and correlation. These dipnictides show remarkable polymorphism that is not yet understood systematically and offers room for the discovery of new phases. Relationships between the concerned structures including the marcasite, the pyrite, the arsenopyrite/CoSb 2 , and the NiAs 2 types are highlighted by means of common structural fragments. Electronic stabilities of experimentally known and related AB 2 structure types are presented graphically in so-called stability diagrams. Additionally, competing binary phases are taken into consideration in the diagrams to evaluate the stabilities of the title compounds with respect to decomposition. The main purpose of the stability diagrams is the introduction of an image that enables the estimation of phase stabilities at a single glance. Beyond that, some of the energetically favored structure types can be identified as potential new phases

Phase diagram of the ABC model with nonconserving processes

International Nuclear Information System (INIS)

Lederhendler, A; Cohen, O; Mukamel, D

2010-01-01

The three species ABC model of driven particles on a ring is generalized to include vacancies and particle-nonconserving processes. The model exhibits phase separation at high densities. For equal average densities of the three species, it is shown that although the dynamics is local, it obeys detailed balance with respect to a Hamiltonian with long-range interactions, yielding a nonadditive free energy. The phase diagrams of the conserving and nonconserving models, corresponding to the canonical and grand-canonical ensembles, respectively, are calculated in the thermodynamic limit. Both models exhibit a transition from a homogeneous to a phase-separated state, although the phase diagrams are shown to differ from each other. This conforms with the expected inequivalence of ensembles in equilibrium systems with long-range interactions. These results are based on a stability analysis of the homogeneous phase and exact solution of the continuum equations of the models. They are supported by Monte Carlo simulations. This study may serve as a useful starting point for analyzing the phase diagram for unequal densities, where detailed balance is not satisfied and thus a Hamiltonian cannot be defined

Matrix model approximations of fuzzy scalar field theories and their phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Tekel, Juraj [Department of Theoretical Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynska Dolina, Bratislava, 842 48 (Slovakia)

2015-12-29

We present an analysis of two different approximations to the scalar field theory on the fuzzy sphere, a nonperturbative and a perturbative one, which are both multitrace matrix models. We show that the former reproduces a phase diagram with correct features in a qualitative agreement with the previous numerical studies and that the latter gives a phase diagram with features not expected in the phase diagram of the field theory.

Equations of State and Phase Diagrams of Ammonia

Science.gov (United States)

Glasser, Leslie

2009-01-01

We present equations of state relating the phases and a three-dimensional phase diagram for ammonia with its solid, liquid, and vapor phases, based on fitted authentic experimental data and including recent information on the high-pressure solid phases. This presentation follows similar articles on carbon dioxide and water published in this…

Construction of the Al-Ni-Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Xiong Wei; Du Yong; Wang Jiong; Zhang Wei-Wei [State Key Lab. of Powder Metallurgy, Central South Univ., Changsha (China); Hu Rong-Xiang; Nash, P. [Thermal Processing Technology Center, Illinois Inst. of Tech., Chicago (United States); Lu Xiao-Gang [Thermo-Calc AB, Stockholm Technology Park, Stockholm (Sweden)

2008-06-15

An extensive thermodynamic investigation of the Al-Ni-Si system is carried out via an integrated approach of calculation of phase diagrams, first-principles calculations, and key experiments. Eighteen decisive alloys are prepared in order to verify the existence of the previously reported ternary compounds and to provide new phase equilibrium data. Phase compositions, microstructure, and phase transition temperatures are determined using the combined techniques of X-ray diffraction, scanning electron microscopy, energy dispersion X-ray analysis, and differential thermal analysis. The order/disorder transition between disordered bccA2 and ordered bccB2 phases as well as that between disordered fccA1 and ordered L1{sub 2} phase are described using a two-sublattice model. A self-consistent parameter set is finally obtained by considering the huge amount of experimental data including 13 vertical sections and 5 isothermal sections from both the literature and the present experiments. Almost all of the reliable phase diagram data can be well described by the present modeling. The reliability of the calculated thermodynamic properties for ternary phases is verified through enthalpy measurement employing drop calorimetry and first-principles calculations. The thermodynamic parameters obtained can also successfully predict most of the thermodynamic properties and describe the solidification path for the selected as-cast alloy Al{sub 6}Ni{sub 55}Si{sub 39}. (orig.)

Magnetic phase diagram of a nanocone

International Nuclear Information System (INIS)

Suarez, O; Vargas, P; Escrig, J; Landeros, P; Albir, D; Laroze, D

2008-01-01

In this work we analyze the magnetic properties of truncated conical nanoparticles. Based on the continuous magnetic model we find expressions for the total energy in three different magnetic configurations. Finally, we calculate the magnetic phase diagram as function of the geometrical parameters.

Magnetic phase diagram of a nanocone

Energy Technology Data Exchange (ETDEWEB)

Suarez, O; Vargas, P [Departamento de Fisica, Universidad Tecnica Federico Santa MarIa, P. O. Box 110-V, Valparaiso (Chile); Escrig, J; Landeros, P; Albir, D [Universidad de Santiago de Chile, Depatamento de Fisica, Casilla 307, Correo 2, Santiago (Chile); Laroze, D [Instituto de Fisica, Pontificia Universidad Catolica de Valparaiso, P. O. Box 4059, Valparaiso (Chile)], E-mail: omar.suarez@postgrado.usm.cl

2008-11-01

In this work we analyze the magnetic properties of truncated conical nanoparticles. Based on the continuous magnetic model we find expressions for the total energy in three different magnetic configurations. Finally, we calculate the magnetic phase diagram as function of the geometrical parameters.

Phase-field simulation of peritectic solidification closely coupled with directional solidification experiments in an Al-36 wt% Ni alloy

International Nuclear Information System (INIS)

Siquieri, R; Emmerich, H; Doernberg, E; Schmid-Fetzer, R

2009-01-01

In this work we present experimental and theoretical investigations of the directional solidification of Al-36 wt% Ni alloy. A phase-field approach (Folch and Plapp 2005 Phys. Rev. E 72 011602) is coupled with the CALPHAD (calculation of phase diagrams) method to be able to simulate directional solidification of Al-Ni alloy including the peritectic phase Al 3 Ni. The model approach is calibrated by systematic comparison to microstructures grown under controlled conditions in directional solidification experiments. To illustrate the efficiency of the model it is employed to investigate the effect of temperature gradient on the microstructure evolution of Al-36 wt% Ni during solidification.

Applications of thermodynamic calculations to Mg alloy design: Mg-Sn based alloy development

International Nuclear Information System (INIS)

Jung, In-Ho; Park, Woo-Jin; Ahn, Sang Ho; Kang, Dae Hoon; Kim, Nack J.

2007-01-01

Recently an Mg-Sn based alloy system has been investigated actively in order to develop new magnesium alloys which have a stable structure and good mechanical properties at high temperatures. Thermodynamic modeling of the Mg-Al-Mn-Sb-Si-Sn-Zn system was performed based on available thermodynamic, phase equilibria and phase diagram data. Using the optimized database, the phase relationships of the Mg-Sn-Al-Zn alloys with additions of Si and Sb were calculated and compared with their experimental microstructures. It is shown that the calculated results are in good agreement with experimental microstructures, which proves the applicability of thermodynamic calculations for new Mg alloy design. All calculations were performed using FactSage thermochemical software. (orig.)

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...

Phase Diagram of the Ethylene Glycol-Dimethylsulfoxide System

Science.gov (United States)

Solonina, I. A.; Rodnikova, M. N.; Kiselev, M. R.; Khoroshilov, A. V.; Shirokova, E. V.

2018-05-01

The phase diagram of ethylene glycol (EG)-dimethylsulfoxide (DMSO) system is studied in the temperature range of +25 to -140°C via differential scanning calorimetry. It is established that the EG-DMSO system is characterized by strong overcooling of the liquid phase, a glass transition at -125°C, and the formation of a compound with the composition of DMSO · 2EG. This composition has a melting temperature of -60°C, which is close to those of neighboring eutectics (-75 and -70°C). A drop in the baseline was observed in the temperature range of 8 to -5°C at DMSO concentrations of 5-50 mol %, indicating the existence of a phase separation area in the investigated system. The obtained data is compared to the literature data on the H2O-DMSO phase diagram.

Design of the Precipitation Process for Ni-Al Alloys with Optimal Mechanical Properties: A Phase-Field Study

Science.gov (United States)

Ta, Na; Zhang, Lijun; Du, Yong

2014-04-01

An attempt to design the heat treatment schedule for binary Ni-Al alloys with optimal mechanical properties was made in the present work. A series of quantitative three-dimensional (3-D) phase-field simulations of microstructure evolution in Ni-Al alloys during the precipitation process were first performed using MICRESS (MICRostructure Evolution Simulation Software) package developed in the formalism of the multi-phase field model. The coupling to CALPHAD (CALculation of PHAse Diagram) thermodynamic and atomic mobility databases was realized via TQ interface. Moreover, the temperature-dependent lattice misfits and elastic constants were utilized for simulation. The effect of the alloy composition and aging temperature on microstructure evolution was extensively studied with the aid of statistical analysis. After that, an evaluation function was proposed for evaluating the optimal heat treatment schedule by choosing the phase fraction, grain size, and shape factor of γ' precipitate as the evaluation indicators. Based on 50 groups of phase-field-simulated and experimental microstructure information, as well as the proposed evaluation function, the optimal alloy composition, aging temperature, and aging time for binary Ni-Al alloy with optimal mechanical properties were finally chosen. The successful application in the present Ni-Al alloys indicates that it is possible to design the optimal alloy composition and heat treatment for other binary and even multicomponent alloys with optimal mechanical properties based on the evaluation function and the sufficient microstructure information. Additionally, the combination of the present method and the key experiments can definitely accelerate the material design and improve the efficiency and accuracy.

Phase diagram of a Lennard-Jones solid

International Nuclear Information System (INIS)

Choi, Y.; Ree, T.; Ree, F.H.

1993-01-01

A phase diagram of a Lennard-Jones solid at kT/ε≥0.8 is constructed by our recent perturbation theory. It shows the stability of the face-centered-cubic phase except within a small pressure and temperature domain, where the hexagonal-close packed phase may occur. The theory predicts anharmonic contributions to the Helmholtz free energy (important to the crystal stability) in good agreement with Monte Carlo data

Study of the central region of the ternary diagram Zr-Nb-Fe, Part II

International Nuclear Information System (INIS)

Ramos, C; Saragovi, C; Arias, D; Granovsky, M

2004-01-01

This work continues with the identification and characterization of the intermetallic phases and of the two-phase and three-phase fields associated with the central region of the Zr-Nb-Fe phase diagram. In order to more precisely define the two-phase field βZr + λ 2 and to specify the range of existence in the zone with the highest Fe content for the λ2 phase, new alloys were smelted with the following nominal compositions: Zr 55 Nb 35 Fe 10 and Zr 35 Nb 5 Fe 60 . These alloys were submitted to a thermal treatment at 900 o C for 4 months. The techniques used to identify and characterize the phases in the samples were: optic metallography and electronic sweep, x-ray diffraction and Mossbauer spectroscopy. An isothermic cut of the central region for the Zr-Nb-Fe diagram is proposed considering previous results and those obtained in this work (Cw)

Structural formation of aluminide phases on titanium alloy during annealing

International Nuclear Information System (INIS)

Mamaeva, A.A.; Romankov, S.E.; Sagdoldina, Zh.

2006-01-01

Full text: The aluminum layer on the surface of titanium alloy has been formed by thermal deposition. The structural formation of aluminide phases on the surface has been studied. The sequence of structural transformations at the Ti/Al interface is limited by the reaction temperature and time. The sequence of aluminide phase formation is occurred in compliance with Ti-Al equilibrium phase diagram. At the initial stages at the Ti/Al interface the Al3Ti alloy starts forming as a result of interdiffusion, and gradually the whole aluminum films is spent on the formation of this layer. The Al3Ti layer decomposes with the increase of temperature (>600C). At 800C the two-phase (Ti3Al+TiAl) layer is formed on the titanium surface. The TiAl compound is unstable and later on with the increase of the exposure time at 800C gradually transforms into the Ti3Al. The chain of these successive transformations leads to the formation of the continuous homogeneous layer consisting of the Ti3Al compound on the surface. At temperatures exceeding the allotropic transformation temperature (>900C) the Ti3Al compound starts decomposing. All structural changes taking place at the Ti/Al interface are accompanied by considerable changes in micro hardness. The structure of initial substrate influences on kinetics of phase transformation and microstructure development. (author)

Formation of Al15Mn3Si2 Phase During Solidification of a Novel Al-12%Si-4%Cu-1.2%Mn Heat-Resistant Alloy and Its Thermal Stability

Science.gov (United States)

Suo, Xiaojing; Liao, Hengcheng; Hu, Yiyun; Dixit, Uday S.; Petrov, Pavel

2018-02-01

The formation of Al15Mn3Si2 phase in Al-12Si-4Cu-1.2Mn (wt.%) alloy during solidification was investigated by adopting CALPHAD method and microstructural observation by optical microscopy, SEM-EDS, TEM-EDS/SAD and XRD analysis; SEM fixed-point observation method was applied to evaluate its thermal stability. As-cast microstructural observation consistently demonstrates the solidification sequence of the studied alloy predicted by phase diagram calculation. Based on the phase diagram calculation, SEM-EDS, TEM-EDS/SAD and XRD analysis, as well as evidences on Al-Si-Mn-Fe compounds from the literature, the primary and eutectic Mn-rich phases with different morphologies in the studied alloy are identified to be Al15Mn3Si2 that has a body-centered cubic (BCC) structure with a lattice constant of a = 1.352 nm. SEM fixed-point observation and XRD analysis indicate that Al15Mn3Si2 phase has more excellent thermal stability at high temperature than that of CuAl2 phase and can serve as the major strengthening phase in heat-resistant aluminum alloy that has to face a high-temperature working environment. Results of tension test show that addition of Mn can improve the strength of Al-Si-Cu alloy, especially at elevated temperature.

The phase diagram of water at negative pressures: virtual ices.

Science.gov (United States)

Conde, M M; Vega, C; Tribello, G A; Slater, B

2009-07-21

The phase diagram of water at negative pressures as obtained from computer simulations for two models of water, TIP4P/2005 and TIP5P is presented. Several solid structures with lower densities than ice Ih, so-called virtual ices, were considered as possible candidates to occupy the negative pressure region of the phase diagram of water. In particular the empty hydrate structures sI, sII, and sH and another, recently proposed, low-density ice structure. The relative stabilities of these structures at 0 K was determined using empirical water potentials and density functional theory calculations. By performing free energy calculations and Gibbs-Duhem integration the phase diagram of TIP4P/2005 was determined at negative pressures. The empty hydrates sII and sH appear to be the stable solid phases of water at negative pressures. The phase boundary between ice Ih and sII clathrate occurs at moderate negative pressures, while at large negative pressures sH becomes the most stable phase. This behavior is in reasonable agreement with what is observed in density functional theory calculations.

Relationship of interaction of titanium aluminides with alloying elements as a basis for design of high-temperature alloys and composites

International Nuclear Information System (INIS)

Povarova, K.B.; Bannykh, O.A.; Antonova, A.V.

2002-01-01

One analyzed the available ternary phase diagrams of Ti-Al-AE where AE - alloying metal or metalloid. Nature of interaction of titanium aluminides, in particular, α 2 -Ti 3 Al, γ-TiAl and TiAl 3 with alloying elements (AE) in the uninvestigated systems was hypothesized with regard to the available binary and ternary phase diagrams and data on electron structure of AE. One determined that structure of Ti-Al-AE ternary phase diagrams, namely, position of domains of γ-TiAl and α 2 -Ti 3 Al base solid solutions, nature of substitution for AE positions in Ti or Al sublattices and position of (α 2 +γ)/γ domain boundary were governed by likeness or difference of electron structure of AE and of the substituted metal (Ti or Al) in titanium aluminide lattice and by value of dimension factor (difference of atomic radii of Al and Ti or Al). One analyzed promises offered by application of solid solution alloying and microalloying of aluminides by I-VIII group metals of the Periodic System [ru

Phase transformations in nickel-aluminum alloys during ion beam mixing

International Nuclear Information System (INIS)

Eridon, J.; Rehn, L.; Was, G.

1986-01-01

The effect of ion beam mixing of nickel-aluminum alloys with 500 keV krypton ions has been investigated over a range of temperature, composition, ion dose, and post-irradiation thermal treatments. Samples were formed by alternate evaporation of layers of aluminum and nickel. A portion of these samples was subsequently annealed to form intermetallic compounds. Irradiations were performed at both room temperature and 80 0 K using the 2MV ion accelerator at Argonne National Laboratory. Phase transformations were observed during both in situ irradiations in the High Voltage Electron Microscope (HVEM) at Argonne, and also in subsequent analysis of an array of irradiated samples. Electron diffraction indicates the presence of metastable crystalline structures not present in the conventional nickel-aluminum phase diagram. Transformations occur at doses as low as 5 x 10 14 cm -2 and continue to develop as the irradiation progresses up to 2 x 10 16 cm -2 . Layer mixing is followed through Rutherford Backscattering analysis. Samples are also checked with x-rays and Electron Energy Loss Spectroscopy (EELS). A thermodynamic argument is presented to explain the phase transformations in terms of movements on a free energy diagram. This analysis explains the interesting paradox concerning the radiation hardness of the NiAl phase and the amorphous structure of mixed Ni-50% Al layers

Phase Diagrams of Strongly Interacting Theories

DEFF Research Database (Denmark)

Sannino, Francesco

2010-01-01

We summarize the phase diagrams of SU, SO and Sp gauge theories as function of the number of flavors, colors, and matter representation as well as the ones of phenomenologically relevant chiral gauge theories such as the Bars-Yankielowicz and the generalized Georgi-Glashow models. We finally report...

Determination of the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system and a comparison between two theoretical methods for synthetic phase diagrams.

Science.gov (United States)

Han, Xu; Liu, Yang; Critser, John K

2010-08-01

Characterization of the thermodynamic properties of multi-solute aqueous solutions is of critical importance for biological and biochemical research. For example, the phase diagrams of aqueous systems, containing salts, saccharides, and plasma membrane permeating solutes, are indispensible in the field of cryobiology and pharmacology. However, only a few ternary phase diagrams are currently available for these systems. In this study, an auto-sampler differential scanning calorimeter (DSC) was used to determine the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system. To improve the accuracy of melting point measurement, a "mass-redemption" method was also applied for the DSC technique. Base on the analyses of these experimental data, a comparison was made between the two practical approaches to generate phase diagrams of multi-solute solutions from those of single-solute solutions: the summation of cubic polynomial melting point equations versus the use of osmotic virial equations with cross coefficients. The calculated values of the model standard deviations suggested that both methods are satisfactory for characterizing this quaternary system. (c) 2010 Elsevier Inc. All rights reserved.

An Investigation into the Effect of Aging on the Forming Limit Diagram of 6063 Aluminum Alloy

International Nuclear Information System (INIS)

Hosseini, S. M.; Hosseimpour, S. J.; Nourouzi, S.; Gorji, A. H.

2011-01-01

In this study, the effect of ageing on the forming limit diagram of a commercially available 6063 aluminum alloy has been investigated. For this purpose, initially the specimens have been aged at 200 deg. C and at various times. The hardness tests have been carried out and the hardness-aging time curve has been obtained for this alloy. Moreover, the mechanical properties were determined by tensile test. Then, the forming limit diagrams have been achieved by using the out-of-plane formability test method at four different conditions containing: annealed, under-aged, peak-aged, and over-aged. The results indicate that in comparing with the annealed condition the FLD 0 decreases significantly from the under-aged condition to the peak-aged condition and increases slightly from the peak-aged condition to the over-aged condition.

Structural Stabilities of β-Ti Alloys Studied Using a New Mo Equivalent Derived from [ β/( α + β)] Phase-Boundary Slopes

Science.gov (United States)

Wang, Qing; Dong, Chuang; Liaw, Peter K.

2015-08-01

Structural stabilities of β-Ti alloys are generally investigated by an empirical Mo equivalent, which quantifies the stability contribution of each alloying element, M, in comparison to that of the major β-Ti stabilizer, Mo. In the present work, a new Mo equivalent (Moeq)Q is proposed, which uses the slopes of the boundary lines between the β and ( α + β) phase zones in binary Ti-M phase diagrams. This (Moeq)Q reflects a simple fact that the β-Ti stability is enhanced, when the β phase zone is enlarged by a β-Ti stabilizer. It is expressed as (Moeq)Q = 1.0 Mo + 0.74 V + 1.01 W + 0.23 Nb + 0.30 Ta + 1.23 Fe + 1.10 Cr + 1.09 Cu + 1.67 Ni + 1.81 Co + 1.42 Mn + 0.38 Sn + 0.34 Zr + 0.99 Si - 0.57 Al (at. pct), where the equivalent coefficient of each element is the slope ratio of the [ β/( α + β)] boundary line of the binary Ti-M phase diagram to that of the Ti-Mo. This (Moeq)Q is shown to reliably characterize the critical stability limit of multi-component β-Ti alloys with low Young's moduli, where the critical lower limit for β stabilization is (Moeq)Q = 6.25 at. pct or 11.8 wt pct Mo.

The Zr-Pt system. Experimental determination of the phase equilibrium conditions, and obtention of the diagram by thermodynamical modeling

International Nuclear Information System (INIS)

Alonso, Regina P.

1997-01-01

Two regions in the zirconium-platinum system (Zr-Pt) were investigated, namely, the zirconium rich and the platinum rich regions. With this purpose, five alloys were obtained. The performed experiences consisted on heat treatments and electrical resistivity variations with temperature measurements. The appearing phases were analyzed by optical and scanning electron microscopy (SEM), quantitative microanalysis and X-ray diffraction techniques. Besides that, the existing phases in the rich zirconium region between 0 and 50 % at. Pt were thermodynamically modelled and the resulting diagram was calculated by means of the Thermocalc computational program. Several proposals were formulated: a) A change in the eutectoid transformation temperature βZr ↔ αZr + pp (800 C degrees according to this work); b) The existence of the phase Zr 3 Pt in the equilibrium diagram; c) The existence of the peritectic transformation Liquid + Zr 5 Pt 3 ↔ Zr 3 Pt; d) The occurrence of the two - phases region ZrPt 3 + ZrPt 8 between 1050 and 1320 C degrees, and finally; e) The occurrence of the peritectic transformation ZrPt 3 + Liquid ↔ γPt was verified. (author)

T- P Phase Diagram of Nitrogen at High Pressures

Science.gov (United States)

Algul, G.; Enginer, Y.; Yurtseven, H.

2018-05-01

By employing a mean field model, calculation of the T- P phase diagram of molecular nitrogen is performed at high pressures up to 200 GPa. Experimental data from the literature are used to fit a quadratic function in T and P, describing the phase line equations which have been derived using the mean field model studied here for N 2, and the fitted parameters are determined. Our model study gives that the observed T- P phase diagram can be described satisfactorily for the first-order transitions between the phases at low as well as high pressures in nitrogen. Some thermodynamic quantities can also be predicted as functions of temperature and pressure from the mean field model studied here and they can be compared with the experimental data.

Ag-related alloy formation and magnetic phases for Ag/Co/Ir(111) ultrathin films

International Nuclear Information System (INIS)

Tsay, Jyh-Shen; Tsai, Du-Cheng; Chang, Cheng-Hsun-Tony; Chen, Wei-Hsiang

2013-01-01

The Kerr intensity versus the Ag thickness for Ag grown on the top of Co/Ir(111) exhibits an oscillating behavior with a period around one monolayer which should be due to the morphological change related electronic structure differences of the Ag layer. From systematical investigations of Ag/Co/Ir(111) films with the Co layer thinner than 4 monolayers at temperatures below 900 K, a magnetic phase diagram has been established. As the annealing temperature increases for Ag/Co/Ir(111) films, enhancements of the coercive force occur in both the polar and longitudinal configurations due to the intermixing of Ag and Co at the interface and the formation of Co–Ir alloy. The disappearance of ferromagnetism is mainly attributed to the reduced atomic percent of cobalt in Co–Ir alloy, the lowered Curie temperature by a reduction of the thickness of magnetic layers, and the intermixing of Ag and Co at the Ag/Co interface. - Highlights: • An oscillating behavior occurs due to the morphological change for Ag on Co/Ir(111). • A magnetic phase diagram has been established for Ag/Co/Ir(111). • Some Ag atoms intermix with the underlying Co layer at high temperatures. • Polar coercive force is enhanced due to the compositional change

Ferromagnetism and spin glass ordering in transition metal alloys (invited)

Science.gov (United States)

Crane, S.; Carnegie, D. W., Jr.; Claus, H.

1982-03-01

Magnetic properties of transition metal alloys near the percolation threshold are often complicated by metallurgical effects. Alloys like AuFe, VFe, CuNi, RhNi, and PdNi are in general not random solid solutions but have various degrees of atomic clustering or short-range order (SRO), depending on the heat treatment. First, it is shown how the magnetic ordering temperature of these alloys varies with the degree of clustering or SRO. Second, by systematically changing this degree of clustering or SRO, important information can be obtained about the magnetic phase diagram. In all these alloys below the percolation limit, the onset of ferromagnetic order is probably preceded by a spin glass-type ordering. However, details of the magnetic phase diagram near the critical point can be quite different alloy systems.

Phase formation in as-solidified and heat-treated Al–Si–Cu–Mg–Ni alloys: Thermodynamic assessment and experimental investigation for alloy design

International Nuclear Information System (INIS)

Farkoosh, A.R.; Javidani, M.; Hoseini, M.; Larouche, D.; Pekguleryuz, M.

2013-01-01

Highlights: ► Phase formation in Al–Si–Ni–Cu–Mg–Fe system have been investigated. ► T-Al 9 FeNi, γ-Al 7 Cu 4 Ni, δ-Al 3 CuNi and ε-Al 3 Ni are formed at different Ni levels. ► Thermally stable Ni-bearing precipitates improved the overaged hardness. ► It was found that Ni:Cu and Ni:Fe ratios control the precipitation. ► δ-Al 3 CuNi phase has more contribution to strength compare to other precipitates. - Abstract: Thermodynamic simulations based on the CALPHAD method have been carried out to assess the phase formation in Al–7Si–(0–1)Ni–0.5Cu–0.35Mg alloys (in wt.%) under equilibrium and non-equilibrium (Scheil cooling) conditions. Calculations showed that the T-Al 9 FeNi, γ-Al 7 Cu 4 Ni, δ-Al 3 CuNi and ε-Al 3 Ni phases are formed at different Ni levels. By analyzing the calculated isothermal sections of the phase diagrams it was revealed that the Ni:Cu and Ni:Fe ratios control precipitation in this alloy system. In order to verify the simulation results, microstructural investigations in as-cast, solution treated and aged conditions were carried out using electron probe microanalysis (EPMA), scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM). Furthermore, cooling curve analysis (CCA) was also performed to determine the freezing range of the new alloys and porosity formation during solidification. Hardness measurements of the overaged samples showed that in this alloy system the δ-Al 3 CuNi phase has a greater influence on the overall strength of the alloys compared to the other Ni-bearing precipitates.

Phase formation in as-solidified and heat-treated Al-Si-Cu-Mg-Ni alloys: Thermodynamic assessment and experimental investigation for alloy design

Energy Technology Data Exchange (ETDEWEB)

Farkoosh, A.R., E-mail: amir.rezaeifarkoosh@mail.mcgill.ca [Department of Mining and Materials Engineering, McGill University, 3610 University, Aluminum Research Center - REGAL, Montreal, Quebec, Canada H3A 2B2 (Canada); Javidani, M. [Laval University, Department of Mining, Metallurgy and Materials Engineering, Aluminum Research Center - REGAL, 1065 Ave de la Medecine, Quebec, Canada G1V 0A6 (Canada); Hoseini, M. [Department of Mining and Materials Engineering, McGill University, 3610 University, Aluminum Research Center - REGAL, Montreal, Quebec, Canada H3A 2B2 (Canada); Larouche, D. [Laval University, Department of Mining, Metallurgy and Materials Engineering, Aluminum Research Center - REGAL, 1065 Ave de la Medecine, Quebec, Canada G1V 0A6 (Canada); Pekguleryuz, M. [Department of Mining and Materials Engineering, McGill University, 3610 University, Aluminum Research Center - REGAL, Montreal, Quebec, Canada H3A 2B2 (Canada)

2013-02-25

Highlights: Black-Right-Pointing-Pointer Phase formation in Al-Si-Ni-Cu-Mg-Fe system have been investigated. Black-Right-Pointing-Pointer T-Al{sub 9}FeNi, {gamma}-Al{sub 7}Cu{sub 4}Ni, {delta}-Al{sub 3}CuNi and {epsilon}-Al{sub 3}Ni are formed at different Ni levels. Black-Right-Pointing-Pointer Thermally stable Ni-bearing precipitates improved the overaged hardness. Black-Right-Pointing-Pointer It was found that Ni:Cu and Ni:Fe ratios control the precipitation. Black-Right-Pointing-Pointer {delta}-Al{sub 3}CuNi phase has more contribution to strength compare to other precipitates. - Abstract: Thermodynamic simulations based on the CALPHAD method have been carried out to assess the phase formation in Al-7Si-(0-1)Ni-0.5Cu-0.35Mg alloys (in wt.%) under equilibrium and non-equilibrium (Scheil cooling) conditions. Calculations showed that the T-Al{sub 9}FeNi, {gamma}-Al{sub 7}Cu{sub 4}Ni, {delta}-Al{sub 3}CuNi and {epsilon}-Al{sub 3}Ni phases are formed at different Ni levels. By analyzing the calculated isothermal sections of the phase diagrams it was revealed that the Ni:Cu and Ni:Fe ratios control precipitation in this alloy system. In order to verify the simulation results, microstructural investigations in as-cast, solution treated and aged conditions were carried out using electron probe microanalysis (EPMA), scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM). Furthermore, cooling curve analysis (CCA) was also performed to determine the freezing range of the new alloys and porosity formation during solidification. Hardness measurements of the overaged samples showed that in this alloy system the {delta}-Al{sub 3}CuNi phase has a greater influence on the overall strength of the alloys compared to the other Ni-bearing precipitates.

Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

Energy Technology Data Exchange (ETDEWEB)

Canko, Osman; Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr

2008-05-15

We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J<0, respectively, on the diatomic lattice and have found the conditions for the existence of uniform and intermediate or non-uniform phases. We have also constructed the exact ground-state phase diagrams of the model on the triangular lattice and found 20 and 59 fundamental phase diagrams for J>0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found.

The effective QCD phase diagram and the critical end point

Directory of Open Access Journals (Sweden)

Alejandro Ayala

2015-08-01

Full Text Available We study the QCD phase diagram on the temperature T and quark chemical potential μ plane, modeling the strong interactions with the linear sigma model coupled to quarks. The phase transition line is found from the effective potential at finite T and μ taking into account the plasma screening effects. We find the location of the critical end point (CEP to be (μCEP/Tc,TCEP/Tc∼(1.2,0.8, where Tc is the (pseudocritical temperature for the crossover phase transition at vanishing μ. This location lies within the region found by lattice inspired calculations. The results show that in the linear sigma model, the CEP's location in the phase diagram is expectedly determined solely through chiral symmetry breaking. The same is likely to be true for all other models which do not exhibit confinement, provided the proper treatment of the plasma infrared properties for the description of chiral symmetry restoration is implemented. Similarly, we also expect these corrections to be substantially relevant in the QCD phase diagram.

Critical point analysis of phase envelope diagram

International Nuclear Information System (INIS)

Soetikno, Darmadi; Siagian, Ucok W. R.; Kusdiantara, Rudy; Puspita, Dila; Sidarto, Kuntjoro A.; Soewono, Edy; Gunawan, Agus Y.

2014-01-01

Phase diagram or phase envelope is a relation between temperature and pressure that shows the condition of equilibria between the different phases of chemical compounds, mixture of compounds, and solutions. Phase diagram is an important issue in chemical thermodynamics and hydrocarbon reservoir. It is very useful for process simulation, hydrocarbon reactor design, and petroleum engineering studies. It is constructed from the bubble line, dew line, and critical point. Bubble line and dew line are composed of bubble points and dew points, respectively. Bubble point is the first point at which the gas is formed when a liquid is heated. Meanwhile, dew point is the first point where the liquid is formed when the gas is cooled. Critical point is the point where all of the properties of gases and liquids are equal, such as temperature, pressure, amount of substance, and others. Critical point is very useful in fuel processing and dissolution of certain chemicals. Here in this paper, we will show the critical point analytically. Then, it will be compared with numerical calculations of Peng-Robinson equation by using Newton-Raphson method. As case studies, several hydrocarbon mixtures are simulated using by Matlab

Critical point analysis of phase envelope diagram

Energy Technology Data Exchange (ETDEWEB)

Soetikno, Darmadi; Siagian, Ucok W. R. [Department of Petroleum Engineering, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia); Kusdiantara, Rudy, E-mail: rkusdiantara@s.itb.ac.id; Puspita, Dila, E-mail: rkusdiantara@s.itb.ac.id; Sidarto, Kuntjoro A., E-mail: rkusdiantara@s.itb.ac.id; Soewono, Edy; Gunawan, Agus Y. [Department of Mathematics, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia)

2014-03-24

Phase diagram or phase envelope is a relation between temperature and pressure that shows the condition of equilibria between the different phases of chemical compounds, mixture of compounds, and solutions. Phase diagram is an important issue in chemical thermodynamics and hydrocarbon reservoir. It is very useful for process simulation, hydrocarbon reactor design, and petroleum engineering studies. It is constructed from the bubble line, dew line, and critical point. Bubble line and dew line are composed of bubble points and dew points, respectively. Bubble point is the first point at which the gas is formed when a liquid is heated. Meanwhile, dew point is the first point where the liquid is formed when the gas is cooled. Critical point is the point where all of the properties of gases and liquids are equal, such as temperature, pressure, amount of substance, and others. Critical point is very useful in fuel processing and dissolution of certain chemicals. Here in this paper, we will show the critical point analytically. Then, it will be compared with numerical calculations of Peng-Robinson equation by using Newton-Raphson method. As case studies, several hydrocarbon mixtures are simulated using by Matlab.

Theory of Rare-Earth Alloys

DEFF Research Database (Denmark)

Lindgård, Per-Anker

1977-01-01

A mean-field random alloy theory combined with a simple calculation of the exchange interaction J(c,Q) is shown to quantitatively account for the phase diagrams for alloys of rare-earth metals with Y, Lu, Sc, and other rare-earth metals. A concentration-dependent J(c,Q) explains the empirical 2...

Mapping Isobaric Aging onto the Equilibrium Phase Diagram

DEFF Research Database (Denmark)

Niss, Kristine

2017-01-01

The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts...... of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case—challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium...... states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single...

Phase diagrams of laser-processed nanoparticles of brass

Energy Technology Data Exchange (ETDEWEB)

Kazakevich, P.V. [Wave Research Center of A.M. Prokhorov General Physics Institute of the Russian Academy of Sciences 38, Vavilov Street, 119991 Moscow (Russian Federation); Simakin, A.V. [Wave Research Center of A.M. Prokhorov General Physics Institute of the Russian Academy of Sciences 38, Vavilov Street, 119991 Moscow (Russian Federation); Shafeev, G.A. [Wave Research Center of A.M. Prokhorov General Physics Institute of the Russian Academy of Sciences 38, Vavilov Street, 119991 Moscow (Russian Federation); Monteverde, F. [Electron Microscopy Unit, Materia Nova, Avenue Copernic 1, B-7000 Mons (Belgium); Wautelet, M. [Condensed Matter Physics, University of Mons-Hainaut, 23, Avenue Maistriau, B-7000 Mons (Belgium)]. E-mail: michel.wautelet@umh.ac.be

2007-07-31

Nanoparticles of brass are prepared by ablation of a brass target in ethanol using radiation of a copper-vapor laser at various laser fluences. The nanoparticles are characterized by TEM and optical spectroscopy. The multipulse laser irradiation leads to formation both the nanoparticles in liquid and well-ordered micro-structures on a surface of a target. It is revealed that both the morphology and absorption spectra of brass nanoparticles depend on presence of the micro-structures. Nanoparticles with the various phase diagrams are formed from a flat brass surface and from the same surface with micro-structures. The results are compared with a model of phase diagrams, in which size and composition effects are taken into account.

Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk [Departments of Physics and Astronomy, University College London, Thomas Young Center, London Centre for Nanotechnology, London WC1E 6BT (United Kingdom); Cohen, R. E. [Extreme Materials Initiative, Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015 (United States); Department of Earth- and Environmental Sciences, Ludwig Maximilians Universität, Munich 80333 (Germany); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2016-08-14

We studied the low-pressure (0–10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P2{sub 1}/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P2{sub 1}/c phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.

Na-Si binary phase diagram and solution growth of silicon crystals

International Nuclear Information System (INIS)

Morito, H.; Yamada, T.; Ikeda, T.; Yamane, H.

2009-01-01

In the present study, a Na-Si binary phase diagram was first presented from the results of differential thermal analysis and X-ray diffraction. Based on the phase diagram, we performed low-temperature formation of single crystals, film and porous bulk of Si by vaporizing Na from a Na-Si melt at 800 or 900 deg. C.

Modelling of micro- and macrosegregation for industrial multicomponent aluminium alloys

International Nuclear Information System (INIS)

Ellingsen, K; M'Hamdi, M; Mortensen, D

2015-01-01

Realistic predictions of macrosegregation formation during casting of aluminium alloys requires an accurate modeling of solute microsegregation accounting for multicomponent phase diagrams and secondary phase formation. In the present work, the stand alone Alstruc model, a microsegregation model for industrial multicomponent aluminium alloys, is coupled with the continuum model ALSIM which calculates the macroscopic transport of mass, enthalpy, momentum, and solutes as well as stresses and deformation during solidification of aluminium. Alstruc deals with multicomponent alloys accounting for temperature dependent partition coefficients, liquidus slopes and the precipitation of secondary phases. The challenge associated with computation of microsegregation for multicomponent alloys is solved in Alstruc by approximating the phase diagram data by simple, analytical expressions which allows for a CPU-time efficient coupling with the macroscopic transport model. In the present work, the coupled model has been applied in a study of macrosegregation including thermal and solutal convection, solidification shrinkage and surface exudation on an industrial DC-cast billet. (paper)

Phase Diagram of Spiking Neural Networks

Directory of Open Access Journals (Sweden)

Hamed eSeyed-Allaei

2015-03-01

Full Text Available In computer simulations of spiking neural networks, often it is assumed that every two neurons of the network are connected by a probablilty of 2%, 20% of neurons are inhibitory and 80% are excitatory. These common values are based on experiments, observations. but here, I take a different perspective, inspired by evolution. I simulate many networks, each with a different set of parameters, and then I try to figure out what makes the common values desirable by nature. Networks which are configured according to the common values, have the best dynamic range in response to an impulse and their dynamic range is more robust in respect to synaptic weights. In fact, evolution has favored networks of best dynamic range. I present a phase diagram that shows the dynamic ranges of different networks of different parameteres. This phase diagram gives an insight into the space of parameters -- excitatory to inhibitory ratio, sparseness of connections and synaptic weights. It may serve as a guideline to decide about the values of parameters in a simulation of spiking neural network.

Phase diagrams of superconducting materials: Metallurgy, fabrication, and applications

International Nuclear Information System (INIS)

Flukiger, R.

1981-01-01

Because a large number of investigations on superconducting material have been made on insufficiently characterized samples, and with temperature phase diagrams which contained serious errors, phase diagrams are studied. It is seen that the variation of critical temperature as a function of chemical composition for a given compound can be used as a supplementary tool in determining composition with greater accuracy. The consequent search for higher critical temperature value in specified materials has led to a new concept in determining high temperature phase diagrams. Most of this paper is devoted to the study of bulk binary, pseudobinary, or ternary superconductors at their equilibrium state. As will be shown in several cases, these data serve as standard values and are of great help in understanding the superconducting behavior in materials produced by non-equilibrium methods, i.e., splat-cooling, thin film preparation by either sputtering, co-evaporation, or CVD, and diffusion processes in multifilamentary composite wires. An example for the departure from thermal equilibrium is the retention of metastable composition by a fast quenching rate

Influence of Laser Welding Speed on the Morphology and Phases Occurring in Spray-Compacted Hypereutectic Al-Si-Alloys

Directory of Open Access Journals (Sweden)

Thomas Gietzelt

2016-11-01

Full Text Available Normally, the weldability of aluminum alloys is ruled by the temperature range of solidification of an alloy according to its composition by the formation of hot cracks due to thermal shrinkage. However, for materials at nonequilibrium conditions, advantage can be taken by multiple phase formation, leading to an annihilation of temperature stress at the microscopic scale, preventing hot cracks even for alloys with extreme melting range. In this paper, several spray-compacted hypereutectic aluminum alloys were laser welded. Besides different silicon contents, additional alloying elements like copper, iron and nickel were present in some alloys, affecting the microstructure. The microstructure was investigated at the delivery state of spray-compacted material as well as for a wide range of welding speeds ranging from 0.5 to 10 m/min, respectively. The impact of speed on phase composition and morphology was studied at different disequilibrium solidification conditions. At high welding velocity, a close-meshed network of eutectic Al-Si-composition was observed, whereas the matrix is filled with nearly pure aluminum, helping to diminish the thermal stress during accelerated solidification. Primary solidified silicon was found, however, containing considerable amounts of aluminum, which was not expected from phase diagrams obtained at the thermodynamic equilibrium.

Confinement in Polyakov gauge and the QCD phase diagram

Energy Technology Data Exchange (ETDEWEB)

Marhauser, Marc Florian

2009-10-14

We investigate Quantum Chromodynamics (QCD) in the framework of the functional renormalisation group (fRG). Thereby describing the phase transition from the phase with confined quarks into the quark-gluon-plasma phase. We focus on a physical gauge in which the mechanism driving the phase transition is discernible. We find results compatible with lattice QCD data, as well as with functional methods applied in different gauges. The phase transition is of the expected order and we computed critical exponents. Extensions of the model are discussed. When investigating the QCD phase diagram, we compute the effects of dynamical quarks at finite density on the running of the gauge coupling. Additionally, we calculate how these affect the deconfinement phase transition, also, dynamical quarks allow for the inclusion of a finite chemical potential. Concluding the investigation of the phase diagram, we establish a relation between confinement and chiral symmetry breaking, which is tied to the dynamical generation of hadron masses. In the investigations, we often encounter scale dependent fields. We investigate a footing on which these can be dealt with in a uniform way. (orig.)

Phase diagram and quench dynamics of the cluster-XY spin chain.

Science.gov (United States)

Montes, Sebastián; Hamma, Alioscia

2012-08-01

We study the complete phase space and the quench dynamics of an exactly solvable spin chain, the cluster-XY model. In this chain, the cluster term and the XY couplings compete to give a rich phase diagram. The phase diagram is studied by means of the quantum geometric tensor. We study the time evolution of the system after a critical quantum quench using the Loschmidt echo. The structure of the revivals after critical quantum quenches presents a nontrivial behavior depending on the phase of the initial state and the critical point.

Quantum corrections for the phase diagram of systems with competing order

Science.gov (United States)

Silva, N. L., Jr.; Continentino, Mucio A.; Barci, Daniel G.

2018-06-01

We use the effective potential method of quantum field theory to obtain the quantum corrections to the zero temperature phase diagram of systems with competing order parameters. We are particularly interested in two different scenarios: regions of the phase diagram where there is a bicritical point, at which both phases vanish continuously, and the case where both phases coexist homogeneously. We consider different types of couplings between the order parameters, including a bilinear one. This kind of coupling breaks time-reversal symmetry and it is only allowed if both order parameters transform according to the same irreducible representation. This occurs in many physical systems of actual interest like competing spin density waves, different types of orbital antiferromagnetism, elastic instabilities of crystal lattices, vortices in a multigap SC and also applies to describe the unusual magnetism of the heavy fermion compound URu2Si2. Our results show that quantum corrections have an important effect on the phase diagram of systems with competing orders.

Quantum corrections for the phase diagram of systems with competing order.

Science.gov (United States)

Silva, N L; Continentino, Mucio A; Barci, Daniel G

2018-06-06

We use the effective potential method of quantum field theory to obtain the quantum corrections to the zero temperature phase diagram of systems with competing order parameters. We are particularly interested in two different scenarios: regions of the phase diagram where there is a bicritical point, at which both phases vanish continuously, and the case where both phases coexist homogeneously. We consider different types of couplings between the order parameters, including a bilinear one. This kind of coupling breaks time-reversal symmetry and it is only allowed if both order parameters transform according to the same irreducible representation. This occurs in many physical systems of actual interest like competing spin density waves, different types of orbital antiferromagnetism, elastic instabilities of crystal lattices, vortices in a multigap SC and also applies to describe the unusual magnetism of the heavy fermion compound URu 2 Si 2 . Our results show that quantum corrections have an important effect on the phase diagram of systems with competing orders.

Structure, phase stability, and gaps of wurtzite MgZnO and CdZnO alloys

International Nuclear Information System (INIS)

Eisenacher, Matthias; Schleife, Andre; Furthmueller, Juergen; Bechstedt, Friedhelm; Kuehl Teles, Lara

2008-01-01

Recently II-VI compounds became more and more important as materials with potential applications in optoelectronic devices. For pseudomorphic heterostructures it is highly desirable to adjust the material properties carefully. Alloys allow to tailor a certain material property. Also from a theoretical point of view the investigation of mixed crystals is a challenge. We apply density functional theory and the generalized quasichemical approximation together with a cluster approximation to study MgZnO and CdZnO alloys in the wurtzite structure. The combination of these ab initio approaches enables us to study the thermodynamics of these systems as well as the structural and electronic properties with varying composition. We construct phase diagrams versus composition and temperature and calculate bond lengths as well as gap-bowing parameters for the two alloys versus average composition

Mapping Isobaric Aging onto the Equilibrium Phase Diagram.

Science.gov (United States)

Niss, Kristine

2017-09-15

The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case-challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.

Entropic stabilisation of topologically close-packed phases in binary transition-metal alloys

Energy Technology Data Exchange (ETDEWEB)

Hammerschmidt, Thomas; Fries, Suzana G.; Steinbach, Ingo; Drautz, Ralf [ICAMS, Ruhr-Universitaet Bochum, Bochum (Germany); Seiser, Bernhard; Pettifor, David G. [Department of Materials, University of Oxford, Oxford (United Kingdom)

2010-07-01

The formation of topologically close-packed (tcp) phases in Ni-based superalloys leads to the degradation of the mechanical properties of the alloys. The precipitation of the tcp phases is attributed to refractory elements that are added in low concentration to improve creep resistance. It is well known that the structural stability of the tcp phases A15, {sigma} and {chi} is driven by the average d-band filling. For a direct comparison to experimental phase diagrams, we carried out extensive density-functional theory (DFT) calculations of the tcp phases A15, C14, C15, C36, {mu}, {sigma}, and {chi} in tcp-forming binary transition-metal (TM) systems. We observe several systems such as W-Re with positive values of the heat of formation for all tcp phases although some of the phases are observed experimentally. By combining our DFT total energies with the CALPHAD methodology, we can demonstrate that configurational entropy can stabilise the tcp phases in these systems.

Phase Diagram of Al-Ca-Mg-Si System and Its Application for the Design of Aluminum Alloys with High Magnesium Content

Directory of Open Access Journals (Sweden)

Nikolay A. Belov

2017-10-01

Full Text Available The phase transformations in the Al-Ca-Mg-Si system have been studied using thermodynamic calculations and experimental methods. We show that at 10% Magnesium (Mg, depending on the concentrations of calcium (Ca and silicon (Si, the following phases crystallize first (apart from the aluminum (Al solid solution: Al4Ca, Mg2Si, and Al2CaSi2. We have found that the major part of the calculated concentration range is covered by the region of the primary crystallization of the Al2CaSi2 phase. Regardless of the Ca and Si content, the solidification of the aluminum-magnesium alloys ends with the following nonvariant eutectic reaction: L → (Al + Al4Ca + Mg2Si + Al3Mg2. With respect to the temperature and composition of the liquid phase, this reaction is close to the eutectic reaction in the Al-Mg binary system. The addition of Ca and Si to the Al-10% Mg base alloy increases its hardness, reduces its density, and has no negative influence on its corrosion resistance. We have also established that the near-eutectic alloy containing about 3% Ca and 1% Si has the optimum structure.

Phase diagram of strongly correlated Fermi systems

International Nuclear Information System (INIS)

Zverev, M.V.; Khodel', V.A.; Baldo, M.

2000-01-01

Phase transitions in uniform Fermi systems with repulsive forces between the particles caused by restructuring of quasiparticle filling n(p) are analyzed. It is found that in terms of variables, i.e. density ρ, nondimensional binding constant η, phase diagram of a strongly correlated Fermi system for rather a wide class of interactions reminds of a puff-pastry pie. Its upper part is filled with fermion condensate, the lower one - with normal Fermi-liquid. They are separated by a narrow interlayer - the Lifshits phase, characterized by the Fermi multibound surface [ru

(α,η) phase diagrams in tilted chiral smectics

International Nuclear Information System (INIS)

Rjili, M.; Marcerou, J.P.; Gharbi, A.; Othman, T.

2013-01-01

The polymorphism of tilted chiral smectics liquid crystals is incredibly rich and encompasses many subphases such as SmC A ⁎ ; SmC Fi1 ⁎ ; SmC Fi2 ⁎ ; SmC ⁎ ; SmC α ⁎ . The continuum theory established by Marcerou (2010) is used to derive an expression for the free energy density of those subphases. The minimization of this free energy is obtained through a combination of analytical and numerical methods. It leads to a phase diagram built in the (α,η) plane where α is local angular parameter and η describes the variation of the temperature. From this graphical representation, many experimentally observed phase sequences of ferroelectric liquid crystals can be explained, even them including subphases which were recently observed like the SmC 5 ⁎ and the SmC 6 ⁎ ones. However, it should be emphasized that the details of predicted phase diagram are strongly dependent on the compound studied.

Phase diagrams from ab-initio calculations: Re-W and Fe-B

Energy Technology Data Exchange (ETDEWEB)

Hammerschmidt, Thomas; Bialon, Arthur; Palumbo, Mauro; Fries, Suzana G.; Drautz, Ralf [ICAMS, Ruhr-Universitaet Bochum (Germany)

2011-07-01

The CALPHAD (CaLculation of Phase Diagrams) method relies on Gibbs energy databases and is of limited predictive power in cases where only limited experimental data is available for constructing the Gibbs energy databases. This is problematic for, e.g., the calculation of the phase transformation kinetics within phase field simulations that not only require the thermodynamic equilibrium data but also information on metastable phases. Such information is difficult to obtain directly from experiment but ab-initio calculations may supplement experimental databases as they comprise metastable phases and arbitrary chemical compositions. We present simulations for two prototypical systems: Re-W and Fe-B. For both systems we calculate the heat of formation for an extensive set of structures using ab-initio calculations and employ the total energies in CALPHAD in order to determine the corresponding phase diagrams. We account for the configurational entropy within the Bragg-Williams approximation and neglect the phenomenological excess-term that is commonly used in CALPHAD as well as the contribution of phonons and electronic excitations to the free energy. According to our calculations the complex intermetallic phases in Re-W are stabilized by the configurational entropy. For Fe-B, we calculate metastable and stable phase diagrams including recently predicted new stable phases.

"Phase diagrams of Lecithin-based microemulsions containing Sodium Salicylate "

Directory of Open Access Journals (Sweden)

"Aboofazeli R

2000-08-01

Full Text Available Partial phase diagrams were constructed at 25°C to investigate the phase behaviour of systems composed of soybean lecithin, water, sodium salicylate, alcohol and isopropyl myristate. The lecithins used were the commercially available soy bean lecithins, namely E200 and E170 (phosphatidyl choline purities greater than 95% and 68-72% respectively. The cosurfactants employed were n-propanol, 2-propanol and n-butanol and these were used at lecithin/alcohol weight ratios (Km of 1:1 and 1.5:1. At a given Km, the aqueous phase consisted of a 2% w/w sodium salicylate solution. Phase diagrams showed the area of existence of a stable isotropic region along the surfactant/oil axis (i.e., reverse microemulsion area. The extension of the microemulsion domain was influenced by the purity of surfactant, the lecithin/alcohol weight ratios and the kind of the alcohol.

Thermodynamic study of CVD-ZrO2 phase diagrams

International Nuclear Information System (INIS)

Torres-Huerta, A.M.; Vargas-Garcia, J.R.; Dominguez-Crespo, M.A.; Romero-Serrano, J.A.

2009-01-01

Chemical vapor deposition (CVD) of zirconium oxide (ZrO 2 ) from zirconium acetylacetonate Zr(acac) 4 has been thermodynamically investigated using the Gibbs' free energy minimization method and the FACTSAGE program. Thermodynamic data Cp o , ΔH o and S o for Zr(acac) 4 have been estimated using the Meghreblian-Crawford-Parr and Benson methods because they are not available in the literature. The effect of deposition parameters, such as temperature and pressure, on the extension of the region where pure ZrO 2 can be deposited was analyzed. The results are presented as calculated CVD stability diagrams. The phase diagrams showed two zones, one of them corresponds to pure monoclinic phase of ZrO 2 and the other one corresponds to a mix of monoclinic phase of ZrO 2 and graphite carbon.

Exploring the Nuclear Phase Diagram with Beam Energy Scans

International Nuclear Information System (INIS)

Horvat, Stephen

2017-01-01

The nuclear phase diagram is mapped using beam energy scans of relativistic heavy-ion collisions. This mapping is possible because different collision energies develop along different trajectories through the phase diagram. High energy collisions will evolve though a crossover phase transition according to lattice QCD, but lower collision energies may traverse a first order phase transition. There are hints for this first order phase transition and its critical endpoint, but further measurements and theoretical guidance is needed. In addition to mapping the phase transition, beam energy scans allow us to see if we can turn off the signatures of deconfinement. If an observable is a real signature for the formation of the deconfined state called quark-gluon plasma, then it should turn off at sufficiently low collision energies. In this summary talk I will show the current state of the field using beam energy scan results from RHIC and SPS, I will show where precise theoretical guidance is needed for understanding recent measurements, and I will motivate the need for more data and new measurements from FAIR, NICA, RHIC, and the SPS. (paper)

Evaluated phase diagrams of binary metal-tellurium systems of the D-block transition elements

International Nuclear Information System (INIS)

Chattopadhyay, G.; Bharadwaj, S.R.

1989-01-01

The binary phase diagrams of metal-tellurium systems for twenty seven d-block transition elements have been critically evaluated. Complete phase diagrams are presented for the elements, chromium, manganese, iron, cobalt, nickel, copper, molybdenum, palladium, silver, lanthanum, platinum and gold, whereas, for scandium, titanium, vanadium, yttrium, zirconium, niobium, technitium, ruthenium, rhodium, hafnium, tantalum, tungsten , rhenium, osmium and iridium, the phase diagrams are incomplete and tentative. (author). 20 refs., 27 tabs., 27 figs

Phase Transformations in a Uranium-Zirconium Alloy containing 2 weight per cent Zirconium

Energy Technology Data Exchange (ETDEWEB)

Lagerberg, G

1961-04-15

The phase transformations in a uranium-zirconium alloy containing 2 weight percent zirconium have been examined metallographically after heat treatments involving isothermal transformation of y and cooling from the -y-range at different rates. Transformations on heating and cooling have also been studied in uranium-zirconium alloys with 0.5, 2 and 5 weight per cent zirconium by means of differential thermal analysis. The results are compatible with the phase diagram given by Howlett and Knapton. On quenching from the {gamma}-range the {gamma} phase transforms martensitically to supersaturated a the M{sub S} temperature being about 490 C. During isothermal transformation of {gamma} in the temperature range 735 to 700 C {beta}-phase is precipitated as Widmanstaetten plates and the equilibrium structure consists of {beta} and {gamma}{sub 1}. Below 700 C {gamma} transforms completely to Widmanstaetten plates which consist of {beta} above 660 C and of a at lower temperatures. Secondary phases, {gamma}{sub 2} above 610 C and {delta} below this temperature, are precipitated from the initially supersaturated Widmanstaetten plates during the isothermal treatments. At and slightly below 700 C the cooperative growth of |3 and {gamma}{sub 2} is observed. The results of isothermal transformation are summarized in a TTTdiagram.

Effect of Cooling Rate on Phase Transformations in a High-Strength Low-Alloy Steel Studied from the Liquid Phase

Science.gov (United States)

Dorin, Thomas; Stanford, Nicole; Taylor, Adam; Hodgson, Peter

2015-12-01

The phase transformation and precipitation in a high-strength low-alloy steel have been studied over a large range of cooling rates, and a continuous cooling transformation (CCT) diagram has been produced. These experiments are unique because the measurements were made from samples cooled directly from the melt, rather than in homogenized and re-heated billets. The purpose of this experimental design was to examine conditions pertinent to direct strip casting. At the highest cooling rates which simulate strip casting, the microstructure was fully bainitic with small regions of pearlite. At lower cooling rates, the fraction of polygonal ferrite increased and the pearlite regions became larger. The CCT diagram and the microstructural analysis showed that the precipitation of NbC is suppressed at high cooling rates, and is likely to be incomplete at intermediate cooling rates.

HgTe-CdTe phase diagrams calculation by RAS model

International Nuclear Information System (INIS)

Hady, A.A.A.

1986-11-01

The model of Regular Associated Solutions (RAS) for binary solution, which extended onto the ternary solution was used for Mercury-Cadnium-Tellurim phase diagrams calculations. The function of dissociation parameters is used here as a function of temperature and it is independent of composition. The ratio of mole fractions has a weak dependence on temperature and is not neglected. The calculated liquidus binary temperature and the experimental one are so fitted to give the best values of parameters used to calculate the HgTe-CdTe phase diagrams. (author)

Investigating the Thermal and Phase Stability of Nanocrystalline Ni-W Produced by Electrodeposition, Sputtering, and Mechanical Alloying

Science.gov (United States)

Marvel, Christopher Jonathan

diffusivity calculations conceptually suggested that increasing W alloying concentrations can decrease the grain growth rate. The strongest evidence of grain growth stagnation was via nanoscale oxide particle drag in highly contaminated electrodeposited alloys. Interestingly, W-segregation was also detected to the oxide phase boundaries and revealed a potential indirect mechanism of thermal stability. The phase stability of pure and contaminated Ni-W alloys was investigated with density functional theory. Primarily, the calculations suggested that the intermetallic phases NiW and NiW2 are thermodynamically unstable, meaning the binary phase diagram is incorrect, but the ternary carbides Ni 6W6C and Ni2W4C are stable. Several Ni-W binary and Ni-W-C ternary phase diagrams were constructed using a simplified CALPHAD approach to improve the understanding of Ni-W phase stability. Lastly, it was determined that the fabrication process greatly influences the impurity types and concentrations of the alloys, and therefore greatly dictate which thermal stability mechanisms are active. Mechanically alloyed samples were found to be the most resistant to grain growth. The findings of this research will hopefully guide future efforts to design more thermally stable nanocrystalline alloys. The link between phase stability and grain growth behavior of Ni-W was thoroughly discussed, as well as the dependence of bulk fabrication processing on the contamination found in the alloys. Ultimately, this research has greatly expanded the general understanding of nanocrystalline Ni-W microstructures, and it is likely that similar phenomena occur in other nanocrystalline systems.

How little data is enough? Phase-diagram analysis of sparsity-regularized X-ray computed tomography

DEFF Research Database (Denmark)

Jørgensen, Jakob Sauer; Sidky, E. Y.

2015-01-01

We introduce phase-diagram analysis, a standard tool in compressed sensing (CS), to the X-ray computed tomography (CT) community as a systematic method for determining how few projections suffice for accurate sparsity-regularized reconstruction. In CS, a phase diagram is a convenient way to study...... and express certain theoretical relations between sparsity and sufficient sampling. We adapt phase-diagram analysis for empirical use in X-ray CT for which the same theoretical results do not hold. We demonstrate in three case studies the potential of phase-diagram analysis for providing quantitative answers...... measurements does not lead to improved performance compared with standard structured sampling patterns. Finally, we show preliminary results of how well phase-diagram analysis can predict the sufficient number of projections for accurately reconstructing a large-scale image of a given sparsity by means...

Phase separation process in FeCr alloys studied by neutron small angle scattering

International Nuclear Information System (INIS)

Furusaka, Michihiro; Ishikawa, Yoshikazu; Yamaguchi, Sadae; Fujino, Yutaka.

1986-01-01

The very early stage as well as late stage of phase separation process in FeCr alloys (Fe-20, 30, 40, 60 at%Cr) have been studied by pulsed cold neutron small angle scattering instrument (SAN). At the early stage, scattering intensity I(q) obeys q -2 dependence at the high q side of the scattering function. The results are in accord with the theory of Langer et al. which takes into account nonlinear and thermal fluctuations effects. At the late stage where I(q) shows q -4 dependence, a dynamical scaling law holds, while it is not the case for the earlier stage. Phase diagram of FeCr system is also determined by critical scattering measurements. (author)

Sedimentation stacking diagram of binary colloidal mixtures and bulk phases in the plane of chemical potentials

International Nuclear Information System (INIS)

Heras, Daniel de las; Schmidt, Matthias

2015-01-01

We give a full account of a recently proposed theory that explicitly relates the bulk phase diagram of a binary colloidal mixture to its phase stacking phenomenology under gravity (de las Heras and Schmidt 2013 Soft Matter 9 8636). As we demonstrate, the full set of possible phase stacking sequences in sedimentation-diffusion equilibrium originates from straight lines (sedimentation paths) in the chemical potential representation of the bulk phase diagram. From the analysis of various standard topologies of bulk phase diagrams, we conclude that the corresponding sedimentation stacking diagrams can be very rich, even more so when finite sample height is taken into account. We apply the theory to obtain the stacking diagram of a mixture of nonadsorbing polymers and colloids. We also present a catalog of generic phase diagrams in the plane of chemical potentials in order to facilitate the practical application of our concept, which also generalizes to multi-component mixtures. (paper)

Evaluation of self-interaction parameters from binary phase diagrams

International Nuclear Information System (INIS)

Ellison, T.L.

1977-10-01

The feasibility of calculating Wagner self-interaction parameters from binary phase diagrams was examined. The self-interaction parameters of 22 non-ferrous liquid solutions were calculated utilizing an equation based on the equality of the chemical potentials of a component in two equilibrium phases. Utilization of the equation requires the evaluation of the first and second derivatives of various liquidus and solidus data at infinite dilution of the solute component. Several numerical methods for evaluating the derivatives of tabular data were examined. A method involving power series curve fitting and subsequent differentiation of the power series was found to be the most suitable for the interaction parameter calculations. Comparison of the calculated self-interaction parameters with values obtained from thermodynamic measurements indicates that the Wagner self-interaction parameter can be successfully calculated from binary phase diagrams

Selected cerium phase diagrams

International Nuclear Information System (INIS)

Gschneidner, K.A. Jr.; Verkade, M.E.

1974-09-01

A compilation of cerium alloy phase equilibria data based on the most reliable information available is presented. The binary systems selected are those of cerium with each of the following twenty nine elements which might be commonly found in steels: Al, Sb, As, Bi, Ca, C, Cr, Co, Nb, Cu, Fe, Pb, Mg, Mn, Mo, Ni, N, O, P, Se, Si, Ag, S, Te, Sn, Ti, W, and Zn. A brief discussion, a summary of crystal lattice parameters where applicable, and a list of references is included for each element surveyed. (U.S.)

Phase diagram of ammonium nitrate

Energy Technology Data Exchange (ETDEWEB)

Dunuwille, Mihindra; Yoo, Choong-Shik, E-mail: csyoo@wsu.edu [Department of Chemistry and Institute for Shock Physics, Washington State University, Pullman, Washington 99164 (United States)

2013-12-07

Ammonium Nitrate (AN) is a fertilizer, yet becomes an explosive upon a small addition of chemical impurities. The origin of enhanced chemical sensitivity in impure AN (or AN mixtures) is not well understood, posing significant safety issues in using AN even today. To remedy the situation, we have carried out an extensive study to investigate the phase stability of AN and its mixtures with hexane (ANFO–AN mixed with fuel oil) and Aluminum (Ammonal) at high pressures and temperatures, using diamond anvil cells (DAC) and micro-Raman spectroscopy. The results indicate that pure AN decomposes to N{sub 2}, N{sub 2}O, and H{sub 2}O at the onset of the melt, whereas the mixtures, ANFO and Ammonal, decompose at substantially lower temperatures. The present results also confirm the recently proposed phase IV-IV{sup ′} transition above 17 GPa and provide new constraints for the melting and phase diagram of AN to 40 GPa and 400°C.

Phase diagram of ammonium nitrate

International Nuclear Information System (INIS)

Dunuwille, Mihindra; Yoo, Choong-Shik

2013-01-01

Ammonium Nitrate (AN) is a fertilizer, yet becomes an explosive upon a small addition of chemical impurities. The origin of enhanced chemical sensitivity in impure AN (or AN mixtures) is not well understood, posing significant safety issues in using AN even today. To remedy the situation, we have carried out an extensive study to investigate the phase stability of AN and its mixtures with hexane (ANFO–AN mixed with fuel oil) and Aluminum (Ammonal) at high pressures and temperatures, using diamond anvil cells (DAC) and micro-Raman spectroscopy. The results indicate that pure AN decomposes to N 2 , N 2 O, and H 2 O at the onset of the melt, whereas the mixtures, ANFO and Ammonal, decompose at substantially lower temperatures. The present results also confirm the recently proposed phase IV-IV ′ transition above 17 GPa and provide new constraints for the melting and phase diagram of AN to 40 GPa and 400°C

Phase diagram of the mean field model of simplicial gravity

International Nuclear Information System (INIS)

Bialas, P.; Burda, Z.; Johnston, D.

1999-01-01

We discuss the phase diagram of the balls in boxes model, with a varying number of boxes. The model can be regarded as a mean-field model of simplicial gravity. We analyse in detail the case of weights of the form p(q) = q -β , which correspond to the measure term introduced in the simplicial quantum gravity simulations. The system has two phases: elongated (fluid) and crumpled. For β ε (2, ∞) the transition between these two phases is first-order, while for β ε (1, 2) it is continuous. The transition becomes softer when β approaches unity and eventually disappears at β = 1. We then generalise the discussion to an arbitrary set of weights. Finally, we show that if one introduces an additional kinematic bound on the average density of balls per box then a new condensed phase appears in the phase diagram. It bears some similarity to the crinkled phase of simplicial gravity discussed recently in models of gravity interacting with matter fields

Phase diagram of two-component bosons on an optical lattice

International Nuclear Information System (INIS)

Altman, Ehud; Hofstetter, Walter; Demler, Eugene; Lukin, Mikhail D

2003-01-01

We present a theoretical analysis of the phase diagram of two-component bosons on an optical lattice. A new formalism is developed which treats the effective spin interactions in the Mott and superfluid phases on the same footing. Using this new approach we chart the phase boundaries of the broken spin symmetry states up to the Mott to superfluid transition and beyond. Near the transition point, the magnitude of spin exchange can be very large, which facilitates the experimental realization of spin-ordered states. We find that spin and quantum fluctuations have a dramatic effect on the transition, making it first order in extended regions of the phase diagram. When each species is at integer filling, an additional phase transition may occur, from a spin-ordered insulator to a Mott insulator with no broken symmetries. We determine the phase boundaries in this regime and show that this is essentially a Mott transition in the spin sector

The quasicrystalline phase formation in Al-Cu-Cr alloys produced by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Sviridova, T.A.; Shevchukov, A.P.; Shelekhov, E.V. [National University of Science and Technology ' MISIS' , Moscow 119049 (Russian Federation); Diakonov, D.L. [Bardin Central Research Institute for the Iron and Steel Industry, Moscow 105005 (Russian Federation); Tcherdyntsev, V.V.; Kaloshkin, S.D. [National University of Science and Technology ' MISIS' , Moscow 119049 (Russian Federation)

2011-06-15

Research highlights: > Formation of decagonal quasicrystalline phase in Al-Cu-Cr alloys. > Obtained decagonal phase belongs to D{sub 3} family of decagonal quasicrystals. > Decagonal phase has 1.26 nm periodicity along 10-fold axis. > Alloys were produced by combination of mechanical alloying and subsequent annealing. > Phase composition of as-milled powders depending on annealing temperature. - Abstract: Almost single-phase decagonal quasicrystal with periodicity of 1.26 nm along 10-fold axis was produced in Al{sub 69}Cu{sub 21}Cr{sub 10} and Al{sub 72.5}Cu{sub 16.5}Cr{sub 11} alloys using combination of mechanical alloying (MA) and subsequent annealing. Phase transformations of as-milled powders depending on annealing temperature in the range of 200-800 deg. C are examined. Since the transformations can be explained based on kinetic and thermodynamic reasons it seems that applied technique (short preliminary MA followed by the annealing) permits to produce the equilibrium phases rather than metastable ones.

Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

International Nuclear Information System (INIS)

Canko, Osman; Keskin, Mustafa; Deviren, Bayram

2008-01-01

We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J 0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found

Theory of Random Anisotropic Magnetic Alloys

DEFF Research Database (Denmark)

Lindgård, Per-Anker

1976-01-01

A mean-field-crystal-field theory is developed for random, multicomponent, anisotropic magnetic alloys. It is specially applicable to rare-earth alloys. A discussion is given of multicritical points and phase transitions between various states characterized by order parameters with different...... spatial directions or different ordering wave vectors. Theoretical predictions based on known parameters for the phase diagrams and magnetic moments for the binary rare-earth alloys of Tb, Dy, Ho, and Er, Tb-Tm, Nd-Pr, and pure double-hcp Nd agree qualitatively with the experimental observations...... fluctuation corrections in the mean-field results is also discussed....

Evolution of Fe based intermetallic phases in Al–Si hypoeutectic casting alloys: Influence of the Si and Fe concentrations, and solidification rate

International Nuclear Information System (INIS)

Gorny, Anton; Manickaraj, Jeyakumar; Cai, Zhonghou; Shankar, Sumanth

2013-01-01

Highlights: •Anomalous evolution of Fe based intermetallic phases in Al–Si–Fe alloys. •XRF coupled with nano-diffraction to confirm the nano-size Fe intermetallic phases. •Crystallography of the θ-Al 13 Fe 4 , τ 5 -Al 8 Fe 2 Si and τ 6 -Al 9 Fe 2 Si 2 phases. •Peritectic reactions involving the Fe intermetallic phases in Al–Si–Fe alloys. -- Abstract: Al–Si–Fe hypoeutectic cast alloy system is very complex and reported to produce numerous Fe based intermetallic phases in conjunction with Al and Si. This publication will address the anomalies of phase evolution in the Al–Si–Fe hypoeutectic casting alloy system; the anomaly lies in the peculiarities in the evolution and nature of the intermetallic phases when compared to the thermodynamic phase diagram predictions and past publications of the same. The influence of the following parameters, in various combinations, on the evolution and nature of the intermetallic phases were analyzed and reported: concentration of Si between 2 and 12.6 wt%, Fe between 0.05 and 0.5 wt% and solidification rates of 0.1, 1, 5 and 50 K s −1 . Two intermetallic phases are observed to evolve in these alloys under these solidification conditions: the τ 5 -Al 8 SiFe 2 and τ 6 -Al 9 Fe 2 Si 2 . The τ 5 -Al 8 SiFe 2 phase evolves at all levels of the parameters during solidification and subsequently transforms into the τ 6 -Al 9 Fe 2 Si 2 through a peritectic reaction when promoted by certain combinations of solidification parameters such as higher Fe level, lower Si level and slower solidification rates. Further, it is also hypothesized from experimental evidences that the θ-Al 13 Fe 4 binary phase precludes the evolution of the τ 5 during solidification and subsequently transforms into the τ 6 phase during solidification. These observations are anomalous to the publications as prior art and simulation predictions of thermodynamic phase diagrams of these alloys, wherein, only one intermetallic phases in the �

({alpha},{eta}) phase diagrams in tilted chiral smectics

Energy Technology Data Exchange (ETDEWEB)

Rjili, M., E-mail: medrjili@yahoo.fr [Laboratoire de Physique de la Matiere Molle et de la Modelisation Electromagnetique, Faculte des Sciences de Tunis, Universite Tunis El Manar, 2092 El Manar Tunis (Tunisia); Marcerou, J.P., E-mail: marcerou@crpp-bordeaux.cnrs.fr [Centre de Recherches Paul Pascal, 115, Av. Albert-Schweitzer, 33600 Pessac (France); Gharbi, A.; Othman, T. [Laboratoire de Physique de la Matiere Molle et de la Modelisation Electromagnetique, Faculte des Sciences de Tunis, Universite Tunis El Manar, 2092 El Manar Tunis (Tunisia)

2013-02-01

The polymorphism of tilted chiral smectics liquid crystals is incredibly rich and encompasses many subphases such as SmC{sub A}{sup Low-Asterisk }; SmC{sub Fi1}{sup Low-Asterisk }; SmC{sub Fi2}{sup Low-Asterisk }; SmC{sup Low-Asterisk }; SmC{sub {alpha}}{sup Low-Asterisk }. The continuum theory established by Marcerou (2010) is used to derive an expression for the free energy density of those subphases. The minimization of this free energy is obtained through a combination of analytical and numerical methods. It leads to a phase diagram built in the ({alpha},{eta}) plane where {alpha} is local angular parameter and {eta} describes the variation of the temperature. From this graphical representation, many experimentally observed phase sequences of ferroelectric liquid crystals can be explained, even them including subphases which were recently observed like the SmC{sub 5}{sup Low-Asterisk} and the SmC{sub 6}{sup Low-Asterisk} ones. However, it should be emphasized that the details of predicted phase diagram are strongly dependent on the compound studied.

Calculation of Fe-B-V ternary phase diagram

Czech Academy of Sciences Publication Activity Database

Homolová, V.; Kroupa, Aleš; Výrostková, A.

2012-01-01

Roč. 520, APR (2012), s. 30-35 ISSN 0925-8388 R&D Projects: GA ČR(CZ) GAP108/10/1908 Institutional support: RVO:68081723 Keywords : phase diagram * thermodynamic modelling Subject RIV: BJ - Thermodynamics Impact factor: 2.390, year: 2012

Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements

International Nuclear Information System (INIS)

Selle, J.E.

1992-01-01

Attempts were made to apply the Kaufman method of calculating binary phase diagrams to the calculation of binary phase diagrams between the rare earths, actinides, and the refractory transition metals. Difficulties were encountered in applying the method to the rare earths and actinides, and modifications were necessary to provide accurate representation of known diagrams. To calculate the interaction parameters for rare earth-rare earth diagrams, it was necessary to use the atomic volumes for each of the phases: liquid, body-centered cubic, hexagonal close-packed, and face-centered cubic. Determination of the atomic volumes of each of these phases for each element is discussed in detail. In some cases, empirical means were necessary. Results are presented on the calculation of rare earth-rare earth, rare earth-actinide, and actinide-actinide diagrams. For rare earth-refractory transition metal diagrams and actinide-refractory transition metal diagrams, empirical means were required to develop values for the enthalpy of vaporization for rare earth elements and values for the constant (C) required when intermediate phases are present. Results of using the values determined for each element are presented

Regularization dependence on phase diagram in Nambu–Jona-Lasinio model

International Nuclear Information System (INIS)

Kohyama, H.; Kimura, D.; Inagaki, T.

2015-01-01

We study the regularization dependence on meson properties and the phase diagram of quark matter by using the two flavor Nambu–Jona-Lasinio model. The model also has the parameter dependence in each regularization, so we explicitly give the model parameters for some sets of the input observables, then investigate its effect on the phase diagram. We find that the location or the existence of the critical end point highly depends on the regularization methods and the model parameters. Then we think that regularization and parameters are carefully considered when one investigates the QCD critical end point in the effective model studies

Temperature-field phase diagram of extreme magnetoresistance.

Science.gov (United States)

Fallah Tafti, Fazel; Gibson, Quinn; Kushwaha, Satya; Krizan, Jason W; Haldolaarachchige, Neel; Cava, Robert Joseph

2016-06-21

The recent discovery of extreme magnetoresistance (XMR) in LaSb introduced lanthanum monopnictides as a new platform to study this effect in the absence of broken inversion symmetry or protected linear band crossing. In this work, we report XMR in LaBi. Through a comparative study of magnetotransport effects in LaBi and LaSb, we construct a temperature-field phase diagram with triangular shape that illustrates how a magnetic field tunes the electronic behavior in these materials. We show that the triangular phase diagram can be generalized to other topological semimetals with different crystal structures and different chemical compositions. By comparing our experimental results to band structure calculations, we suggest that XMR in LaBi and LaSb originates from a combination of compensated electron-hole pockets and a particular orbital texture on the electron pocket. Such orbital texture is likely to be a generic feature of various topological semimetals, giving rise to their small residual resistivity at zero field and subject to strong scattering induced by a magnetic field.

Electron Number-Based Phase Diagram of Pr1 -xLaCex CuO4 -δ and Possible Absence of Disparity between Electron- and Hole-Doped Cuprate Phase Diagrams

Science.gov (United States)

Song, Dongjoon; Han, Garam; Kyung, Wonshik; Seo, Jeongjin; Cho, Soohyun; Kim, Beom Seo; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki; Yoshida, Y.; Eisaki, H.; Park, Seung Ryong; Kim, C.

2017-03-01

We performed annealing and angle resolved photoemission spectroscopy studies on electron-doped cuprate Pr1 -xLaCex CuO4 -δ (PLCCO). It is found that the optimal annealing condition is dependent on the Ce content x . The electron number (n ) is estimated from the experimentally obtained Fermi surface volume for x =0.10 , 0.15 and 0.18 samples. It clearly shows a significant and annealing dependent deviation from the nominal x . In addition, we observe that the pseudo-gap at hot spots is also closely correlated with n ; the pseudogap gradually closes as n increases. We established a new phase diagram of PLCCO as a function of n . Different from the x -based one, the new phase diagram shows similar antiferromagnetic and superconducting phases to those of hole doped ones. Our results raise a possibility for absence of disparity between the phase diagrams of electron- and hole-doped cuprates

Phase diagram of dilute nuclear matter: Unconventional pairing and the BCS-BEC crossover

Energy Technology Data Exchange (ETDEWEB)

Stein, Martin; Sedrakian, Armen [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik

2013-07-01

We report on a comprehensive study of the phase structure of cold, dilute nuclear matter featuring a {sup 3}S{sub 1}-{sup 3}D{sub 1} condensate at non-zero isospin asymmetry, within wide ranges of temperatures and densities. We find a rich phase diagram comprising three superfluid phases, namely a LOFF phase, the ordinary BCS phase, and a heterogeneous, phase-separated BCS phase, with associated crossovers from the latter two phases to a homogeneous or phase-separated Bose-Einstein condensate of deuterons. The phase diagram contains two tri-critical points (one a Lifshitz point), which may degenerate into a single tetra-critical point for some degree of isospin asymmetry.

Application of mechanical alloying to synthesis of intermetallic phases based alloys

International Nuclear Information System (INIS)

Dymek, S.

2001-01-01

Mechanical alloying is the process of synthesis of powder materials during milling in high energetic mills, usually ball mills. The central event in mechanical alloying is the ball-powder-ball collision. Powder particles are trapped between the colliding balls during milling and undergo deformation and/or fracture. Fractured parts are cold welded. The continued fracture and cold welding results in a uniform size and chemical composition of powder particles. The main applications of mechanical alloying are: processing of ODS alloys, syntheses of intermetallic phases, synthesis of nonequilibrium structures (amorphous alloys, extended solid solutions, nanocrystalline, quasi crystals) and magnetic materials. The present paper deals with application of mechanical alloying to synthesis Ni A l base intermetallic phases as well as phases from the Nb-Al binary system. The alloy were processed from elemental powders. The course of milling was monitored by scanning electron microscopy and X-ray diffraction. After milling, the collected powders were sieved by 45 μm grid and hot pressed (Nb alloys and NiAl) or hot extruded (NiAl). The resulting material was fully dense and exhibited fine grain (< 1 μm) and uniform distribution of oxide dispersoid. The consolidated material was compression and creep tested. The mechanical properties of mechanically alloys were superior to properties of their cast counterparts both in the room and elevated temperatures. Higher strength of mechanically alloyed materials results from their fine grains and from the presence of dispersoid. At elevated temperatures, the Nb-Al alloys have higher compression strength than NiAl-based alloys processed at the same conditions. The minimum creep rates of mechanically alloyed Nb alloys are an order of magnitude lower than analogously processed NiAl-base alloys. (author)

Use of isoconcentrational phase diagrams for prediction of amorphization of binary systems

International Nuclear Information System (INIS)

Lazarev, A.I.; Belashchenko, D.K.

1992-01-01

Based on the application of isoconcentrational diagrams of phase equilibria of liquid with solid solutions of various crystal structures the thermodynamic method was considered for prediction of concentration ranges of amorphization in binary systems.To confirm the applicability of the thermodynamic criterion in practice caclulations of phase diagrams were accomplished for complex binary eutectic systems (Hf-Be, Zr-Be) with the known concentration ranges of amorphization

Experimental study of the Cu-Al-Sn phase equilibria, close to the copper zone

Directory of Open Access Journals (Sweden)

Soares D.F.

2017-01-01

Full Text Available The ternary Cu-Al-Sn phase diagram is the base for several important types of alloys, with relevant industrial interest and applications. The knowledge of the melting/solidification alloys characteristics are determinant for their preparation and properties control. However, there is a lack of experimental information on the ternary phase diagram, at high temperature. In this work, several alloys, with high copper content and additions of Al, up to 10%, and Sn, up to 14% (in wt%, were studied by thermal analysis and by isothermal phase equilibria determination. The alloys liquidus and solidus lines and the binary α + β phase field, at 800°C, are presented for the studied range of compositions.

Phase diagram for interacting Bose gases

International Nuclear Information System (INIS)

Morawetz, K.; Maennel, M.; Schreiber, M.

2007-01-01

We propose a modified form of the inversion method in terms of a self-energy expansion to access the phase diagram of the Bose-Einstein transition. The dependence of the critical temperature on the interaction parameter is calculated. This is discussed with the help of a condition for Bose-Einstein condensation in interacting systems which follows from the pole of the T matrix in the same way as from the divergence of the medium-dependent scattering length. A many-body approximation consisting of screened ladder diagrams is proposed, which describes the Monte Carlo data more appropriately. The specific results are that a non-self-consistent T matrix leads to a linear coefficient in leading order of 4.7, the screened ladder approximation to 2.3, and the self-consistent T matrix due to the effective mass to a coefficient of 1.3 close to the Monte Carlo data

Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams

Science.gov (United States)

Schieber, Natalie P.; Dybeck, Eric C.; Shirts, Michael R.

2018-04-01

Many physical properties of small organic molecules are dependent on the current crystal packing, or polymorph, of the material, including bioavailability of pharmaceuticals, optical properties of dyes, and charge transport properties of semiconductors. Predicting the most stable crystalline form at a given temperature and pressure requires determining the crystalline form with the lowest relative Gibbs free energy. Effective computational prediction of the most stable polymorph could save significant time and effort in the design of novel molecular crystalline solids or predict their behavior under new conditions. In this study, we introduce a new approach using multistate reweighting to address the problem of determining solid-solid phase diagrams and apply this approach to the phase diagram of solid benzene. For this approach, we perform sampling at a selection of temperature and pressure states in the region of interest. We use multistate reweighting methods to determine the reduced free energy differences between T and P states within a given polymorph and validate this phase diagram using several measures. The relative stability of the polymorphs at the sampled states can be successively interpolated from these points to create the phase diagram by combining these reduced free energy differences with a reference Gibbs free energy difference between polymorphs. The method also allows for straightforward estimation of uncertainties in the phase boundary. We also find that when properly implemented, multistate reweighting for phase diagram determination scales better with the size of the system than previously estimated.

Models with short- and long-range interactions: the phase diagram and the reentrant phase

International Nuclear Information System (INIS)

Dauxois, Thierry; Lori, Leonardo; Ruffo, Stefano; De Buyl, Pierre

2010-01-01

We study the phase diagram of two different Hamiltonians with competing local, nearest-neighbour, and mean-field couplings. The first example corresponds to the HMF Hamiltonian with an additional short-range interaction. The second example is a reduced Hamiltonian for dipolar layered spin structures, with a new feature with respect to the first example: the presence of anisotropies. The two examples are solved in both the canonical and the microcanonical ensemble using a combination of the min–max method with the transfer operator method. The phase diagrams present typical features of systems with long-range interactions: ensemble inequivalence, negative specific heat and temperature jumps. Moreover, for a given range of parameters, we report the signature of phase reentrance. This can also be interpreted as the presence of azeotropy with the creation of two first-order phase transitions with ensemble inequivalence, as one parameter is varied continuously

Monte Carlo study of the phase diagram for the two-dimensional Z(4) model

International Nuclear Information System (INIS)

Carneiro, G.M.; Pol, M.E.; Zagury, N.

1982-05-01

The phase diagram of the two-dimensional Z(4) model on a square lattice is determined using a Monte Carlo method. The results of this simulation confirm the general features of the phase diagram predicted theoretically for the ferromagnetic case, and show the existence of a new phase with perpendicular order. (Author) [pt

L1{sub 0} phase formation in ternary FePdNi alloys

Energy Technology Data Exchange (ETDEWEB)

Montes-Arango, A.M. [Department of Mechanical and Industrial Engineering, Northeastern University, Boston, MA 02115 (United States); Bordeaux, N.C. [Department of Chemical Engineering, Northeastern University, Boston, MA 02115 (United States); Liu, J.; Barmak, K. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027 (United States); Lewis, L.H., E-mail: lhlewis@neu.edu [Department of Mechanical and Industrial Engineering, Northeastern University, Boston, MA 02115 (United States); Department of Chemical Engineering, Northeastern University, Boston, MA 02115 (United States)

2015-11-05

Metallurgical routes to highly metastable phases are required to access new materials with new functionalities. To this end, the stability of the tetragonal chemically ordered L1{sub 0} phase in the ternary Fe–Pd–Ni system is quantified to provide enabling information concerning synthesis of L1{sub 0}-type FeNi, a highly attractive yet highly elusive advanced permanent magnet candidate. Fe{sub 50}Pd{sub 50−x}Ni{sub x} (x = 0–7 at%) samples were arc-melted and annealed at 773 K (500 °C) for 100 h to induce formation of the chemically ordered L1{sub 0} phase. Coupled calorimetry, structural and magnetic investigations allow determination of an isothermal section of the ternary Fe–Pd–Ni phase diagram featuring a single phase L1{sub 0} region near the FePd boundary for x < 6 at%. It is demonstrated that increased Ni content in Fe{sub 50}Pd{sub 50−x}Ni{sub x} alloys systematically decreases the order-disorder transition temperature, resulting in a lower thermodynamic driving force for the ordering phase transformation. The Fe{sub 50}Pd{sub 50−x}Ni{sub x} L1{sub 0} → fcc disordering transformation is determined to occur via a two-step process, with compositionally-dependent enthalpies and transition temperatures. These results highlight the need to investigate ternary alloys with higher Ni content to determine the stability range of the L1{sub 0} phase near the FeNi boundary, thereby facilitating kinetic access to the important L1{sub 0} FeNi ferromagnetic phase. - Highlights: • Chemical ordering in FePdNi enhances intrinsic and extrinsic magnetic properties. • 773 K annealed FePdNi alloys studied show a stable L1{sub 0} phase for Ni ≤ 5.2 at%. • Chemical disordering in FePdNi occurs by a previously unreported two-step process. • Ni additions to FePd dramatically decrease the chemical order-disorder temperature. • The chemical-ordering transformation kinetics are greatly affected by Ni content.

Cu–Ni nanoalloy phase diagram – Prediction and experiment

Czech Academy of Sciences Publication Activity Database

Sopoušek, J.; Vřešťál, J.; Pinkas, J.; Brož, P.; Buršík, Jiří; Stýskalík, A.; Škoda, D.; Zobač, O.; Lee, J.

2014-01-01

Roč. 45, June (2014), s. 33-39 ISSN 0364-5916 Institutional support: RVO:68081723 Keywords : nanoalloy * phase diagram * thermodynamic modeling Subject RIV: BJ - Thermodynamics Impact factor: 1.370, year: 2014

Atypical magnetic phase diagrams of Ce.sub.2./sub.Fe.sub.17-x./sub.Mn.sub.x./sub. alloys and their hydrides

Czech Academy of Sciences Publication Activity Database

Kuchin, A. G.; Prokhnenko, O.; Arnold, Zdeněk; Kamarád, Jiří; Ritter, C.; Isnard, O.; Ivasechko, V.; Drulis, H.; Teplykh, A. E.; Khrabrov, V. I.; Medvedeva, I. V.; Lapina, T.P.

2007-01-01

Roč. 71, č. 11 (2007), s. 1615-1616 ISSN 1062-8738 Institutional research plan: CEZ:AV0Z10100521 Keywords : magnetic phase diagram * hydrides * neutron diffraction * pressure effect Subject RIV: BM - Solid Matter Physics ; Magnetism

Phases in lanthanum-nickel-aluminum alloys

International Nuclear Information System (INIS)

Mosley, W.C.

1992-01-01

Lanthanum-nickel-aluminum (LANA) alloys will be used to pump, store and separate hydrogen isotopes in the Replacement Tritium Facility (RTF). The aluminum content (y) of the primary LaNi 5 -phase is controlled to produce the desired pressure-temperature behavior for adsorption and desorption of hydrogen. However, secondary phases cause decreased capacity and some may cause undesirable retention of tritium. Twenty-three alloys purchased from Ergenics, Inc. for development of RTF processes have been characterized by scanning electron microscopy (SEM) and by electron microprobe analysis (EMPA) to determine the distributions and compositions of constituent phases. This memorandum reports the results of these characterization studies. Knowledge of the structural characteristics of these alloys is a useful first step in selecting materials for specific process development tests and in interpreting results of those tests. Once this information is coupled with data on hydrogen plateau pressures, retention and capacity, secondary phase limits for RTF alloys can be specified

The QCD Phase Diagram: Large Nc, Quarkyonic Matter and the Triple Point

International Nuclear Information System (INIS)

McLerran, L.

2010-01-01

I discuss the phase diagram of QCD in the large N c limit. Qarkyonic Matter is described. The properties of QCD matter as measured in the abundance of produced particles are shown to be consistent with this phase diagram. A possible triple point of Hadronic Matter, Deconfined Matter and Quarkyonic Matter is shown to explain various behaviors of ratios of particle abundances seen in CERN fixed target experiments. (author)

Pseudo-ternary phase diagram in the Na2O-Na2O2-NaOH system

International Nuclear Information System (INIS)

Saito, Jun-ichi; Tendo, Masayuki; Aoto, Kazumi

1997-10-01

Generally, the phase diagrams are always used to understand the present state of compounds at certain temperature. In order to understand the corrosion behavior of structural material for FBR by main sodium compounds (Na 2 O, Na 2 O 2 and NaOH), it is very important to comprehend the phase diagrams of their compounds. However, only Na 2 O-NaOH pseudo-binary phase diagram had been investigated previously in this system. There is no study of other pseudo-binary or ternary phase diagrams in the Na 2 O-Na 2 O 2 -NaOH system. In this study, in order to clarify the present states of their compounds at certain temperatures, the pseudo-binary and ternary phase diagrams in the Na 2 O-Na 2 O 2 -NaOH system were prepared. A series of thermal analyses with binary and ternary component system has been carried out using the differential scanning calorimetry (DSC). The liquidus temperature and ternary eutectic temperatures were confirmed by these measurements. The beneficial indications for constructing phase diagrams were obtained from these experiments. On the basis of these results, the interaction parameters between compounds which were utilized for the Thermo-Calc calculation were optimized. Thermo-Calc is one of thermodynamic calculation software. Consequently the accurate pseudo-binary and ternary phase diagrams were indicated using the optimized parameters. (author)

Phase diagram and transport properties for hydrogen-helium fluid planets

International Nuclear Information System (INIS)

Stevenson, D.J.; Salpeter, E.E.

1977-01-01

Hydrogen and helium are the major constituents of Jupiter and Saturn, and phase transitions can have important effects on the planetary structure. In this paper, the relevant phase diagrams and microscopic transport properties are analyzed in detail. The following paper (Paper II) applies these results to the evolution and present dynamic structure of the Jovian planets.Pure hydrogen is first discussed, especially the nature of the molecular-metallic transition and the melting curves for the two phases. It is concluded that at the temperatures and pressures of interest (Tapprox. =10 4 K, Papprox. =1--10 Mbar), both phases are fluid, but the transition between them might nevertheless be first-order. The insulator-metal transition in helium occurs at a much higher pressure (approx.70 Mbars) and is not of interest.The phase diagrams for both molecular and metallic hydrogen-helium mixtures are discussed. In the metallic mixture, calculations indicate a miscibility gap for T9 or approx. =10 4 K. Immiscibility in the molecular mixture is more difficult to predict but almost certainly occurs at much lower temperatures. A fluid-state model is constructed which predicts the likely topology of the three-dimensional phase diagram. The greater solubility of helium in the molecular phase leads to the prediction that the He/H mass ratio is typically twice as large in the molecular phase as in the coexisting metallic phase. Under these circumstances a ''density inversion'' is possible in which the molecular phase becomes more dense than the metallic phase.The partitioning of minor constituents is also considered: The deuterium/hydrogen mass ratio is essentially the same for all coexisting hydrogen-helium phases, at least for T> or approx. =5000 K. The partitioning of H 2 O, CH 4 , and NH 3 probably favors the molecular (or helium-rich) phase. Substances with high conduction electron density (e.g., Al) may partition into the metallic phase

Single-phase high-entropy alloys. An overview

Energy Technology Data Exchange (ETDEWEB)

Kozak, Roksolana; Steurer, Walter [ETH Zurich (Switzerland). Lab. of Crystallography; Sologubenko, Alla [ETH Zurich (Switzerland). Lab. of Nanotechnology

2015-02-01

The term 'high-entropy alloys (HEAs)' first appeared about 10 years ago defining alloys composed of n=5-13 principal elements with concentrations of approximately 100/n at.% each. Since then many equiatomic (or near equiatomic) single- and multi-phase multicomponent alloys were developed, which are reported for a combination of tunable properties: high hardness, strength and ductility, oxidation and wear resistance, magnetism, etc. In our paper, we focus on probably single-phase HEAs (solid solutions) out of all HEAs studied so far, discuss ways of their prediction, mechanical properties. In contrast to classical multielement/multiphase alloys, only single-phase multielement alloys (solid solutions) represent the basic concept underlying HEAs as mixing-entropy stabilized homogenous materials. The literature overview is complemented by own studies demonstrating that the alloys CrFeCoNi, CrFeCoNiAl{sub 0.3} and PdFeCoNi homogenized at 1300 and 1100 C, respectively, for 1 week are not single-phase HEAs, but a coherent mixture of two solid solutions.

Phase transformation of metastable cubic γ-phase in U-Mo alloys

International Nuclear Information System (INIS)

Sinha, V.P.; Hegde, P.V.; Prasad, G.J.; Dey, G.K.; Kamath, H.S.

2010-01-01

Over the past decade considerable efforts have been put by many fuel designers to develop low enriched uranium (LEU 235 ) base U-Mo alloy as a potential fuel for core conversion of existing research and test reactors which are running on high enriched uranium (HEU > 85%U 235 ) fuel and also for the upcoming new reactors. U-Mo alloy with minimum 8 wt% molybdenum shows excellent metastability with cubic γ-phase in cast condition. However, it is important to characterize the decomposition behaviour of metastable cubic γ-uranium in its equilibrium products for in reactor fuel performance point of view. The present paper describes the phase transformation behaviour of cubic γ-uranium phase in U-Mo alloys with three different molybdenum compositions (i.e. 8 wt%, 9 wt% and 10 wt%). U-Mo alloys were prepared in an induction melting furnace and characterized by X-ray diffraction (XRD) method for phase determination. Microstructures were developed for samples in as cast condition. The alloys were hot rolled in cubic γ-phase to break the cast structure and then they were aged at 500 o C for 68 h and 240 h, so that metastable cubic γ-uranium will undergo eutectoid decomposition to form equilibrium phases of orthorhombic α-uranium and body centered tetragonal U 2 Mo intermetallic compound. U-Mo alloy samples with different ageing history were then characterized by XRD for phase and development of microstructure.

Annex 5 - Fabrication of U-Al alloy

International Nuclear Information System (INIS)

Drobnjak, Dj.; Lazarevic, Dj.; Mihajlovic, A.

1961-01-01

Alloy U-Al with low content of aluminium is often used for fabrication of fuel elements because it is stable under moderate neutron flux density. Additionally this type of alloys show much better characteristics than pure uranium under reactor operating conditions (temperature, mechanical load, corrosion effect of water). This report contains the analysis of the phase diagram of U-Al alloy with low content of aluminium, applied procedure for alloying and casting with detailed description of equipment. Characteristics of the obtained alloy are described and conclusions about the experiment and procedure are presented [sr

The phase diagram of ammonium nitrate

Science.gov (United States)

Chellappa, Raja S.; Dattelbaum, Dana M.; Velisavljevic, Nenad; Sheffield, Stephen

2012-08-01

The pressure-temperature (P-T) phase diagram of ammonium nitrate (AN) [NH4NO3] has been determined using synchrotron x-ray diffraction (XRD) and Raman spectroscopy measurements. Phase boundaries were established by characterizing phase transitions to the high temperature polymorphs during multiple P-T measurements using both XRD and Raman spectroscopy measurements. At room temperature, the ambient pressure orthorhombic (Pmmn) AN-IV phase was stable up to 45 GPa and no phase transitions were observed. AN-IV phase was also observed to be stable in a large P-T phase space. The phase boundaries are steep with a small phase stability regime for high temperature phases. A P-V-T equation of state based on a high temperature Birch-Murnaghan formalism was obtained by simultaneously fitting the P-V isotherms at 298, 325, 446, and 467 K, thermal expansion data at 1 bar, and volumes from P-T ramping experiments. Anomalous thermal expansion behavior of AN was observed at high pressure with a modest negative thermal expansion in the 3-11 GPa range for temperatures up to 467 K. The role of vibrational anharmonicity in this anomalous thermal expansion behavior has been established using high P-T Raman spectroscopy.

Occurence and prediction of sigma phase in fuel cladding alloys for breeder reactors

International Nuclear Information System (INIS)

Anantatmula, R.P.

1982-01-01

In sodium-cooled fast reactor systems, fuel cladding materials will be exposed for several thousand hours to liquid sodium. Satisfactory performance of the materials depends in part on the sodium compatibility and phase stability of the materials. This paper mainly deals with the phase stability aspect, with particular emphasis on sigma phase formation of the cladding materials upon extended exposures to liquid sodium. A new method of predicting sigma phase formation is proposed for austenitic stainless steels and predictions are compared with the experimental results on fuel cladding materials. Excellent agreement is obtained between theory and experiment. The new method is different from the empirical methods suggested for superalloys and does not suffer from the same drawbacks. The present method uses the Fe-Cr-Ni ternary phase diagram for predicting the sigma-forming tendencies and exhibits a wide range of applicability to austenitic stainless steels and heat-resistant Fe-Cr-Ni alloys

Layered growth model and epitaxial growth structures for SiCAlN alloys

International Nuclear Information System (INIS)

Liu Zhaoqing; Ni Jun; Su Xiaoao; Dai Zhenhong

2009-01-01

Epitaxial growth structures for (SiC) 1-x (AlN) x alloys are studied using a layered growth model. First-principle calculations are used to determine the parameters in the layered growth model. The phase diagrams of epitaxial growth are given. There is a rich variety of the new metastable polytype structures at x=1/6 ,1/5 ,1/4 ,1/3 , and 1/2 in the layered growth phase diagrams. We have also calculated the electronic properties of the short periodical SiCAlN alloys predicted by our layered growth model. The results show that various ordered structures of (SiC) 1-x (AlN) x alloys with the band gaps over a wide range are possible to be synthesized by epitaxial growth.

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

Theory of alloy phases

International Nuclear Information System (INIS)

Watson, R.E.; Ehrenreich, H.; Bennett, L.H.

1977-01-01

Various non-thermodynamic approaches to understanding and predicting phase diagrams are explored from the viewpoint of solid-state physics. The review is intended to indicate the scope of activity and some of the progress which has been made

Prediction of Corrosion of Alloys in Mixed-Solvent Environments

Energy Technology Data Exchange (ETDEWEB)

Anderko, Andrzej [OLI Systems Inc. Morris Plains (United States); Wang, Peiming [OLI Systems Inc. Morris Plains (United States); Young, Robert D. [OLI Systems Inc. Morris Plains (United States); Riemer, Douglas P. [OLI Systems Inc. Morris Plains (United States); McKenzie, Patrice [OLI Systems Inc. Morris Plains (United States); Lencka, Malgorzata M. [OLI Systems Inc. Morris Plains (United States); Babu, Sudarsanam Suresh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Angelini, Peter [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2003-06-05

Corrosion is much less predictable in organic or mixed-solvent environments than in aqueous process environments. As a result, US chemical companies face greater uncertainty when selecting process equipment materials to manufacture chemical products using organic or mixed solvents than when the process environments are only aqueous. Chemical companies handle this uncertainty by overdesigning the equipment (wasting money and energy), rather than by accepting increased risks of corrosion failure (personnel hazards and environmental releases). Therefore, it is important to develop simulation tools that would help the chemical process industries to understand and predict corrosion and to develop mitigation measures. To create such tools, we have developed models that predict (1) the chemical composition, speciation, phase equilibria, component activities and transport properties of the bulk (aqueous, nonaqueous or mixed) phase that is in contact with the metal; (2) the phase equilibria and component activities of the alloy phase(s) that may be subject to corrosion and (3) the interfacial phenomena that are responsible for corrosion at the metal/solution or passive film/solution interface. During the course of this project, we have completed the following: (1) Development of thermodynamic modules for calculating the activities of alloy components; (2) Development of software that generates stability diagrams for alloys in aqueous systems; these diagrams make it possible to predict the tendency of metals to corrode; (3) Development and extensive verification of a model for calculating speciation, phase equilibria and thermodynamic properties of mixed-solvent electrolyte systems; (4) Integration of the software for generating stability diagrams with the mixed-solvent electrolyte model, which makes it possible to generate stability diagrams for nonaqueous or mixed-solvent systems; (5) Development of a model for predicting diffusion coefficients in mixed-solvent electrolyte

Solidification paths of multicomponent monotectic aluminum alloys

Energy Technology Data Exchange (ETDEWEB)

Mirkovic, Djordje; Groebner, Joachim [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Street 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, Rainer [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Street 42, D-38678 Clausthal-Zellerfeld (Germany)], E-mail: schmid-fetzer@tu-clausthal.de

2008-10-15

Solidification paths of three ternary monotectic alloy systems, Al-Bi-Zn, Al-Sn-Cu and Al-Bi-Cu, are studied using thermodynamic calculations, both for the pertinent phase diagrams and also for specific details concerning the solidification of selected alloy compositions. The coupled composition variation in two different liquids is quantitatively given. Various ternary monotectic four-phase reactions are encountered during solidification, as opposed to the simple binary monotectic, L' {yields} L'' + solid. These intricacies are reflected in the solidification microstructures, as demonstrated for these three aluminum alloy systems, selected in view of their distinctive features. This examination of solidification paths and microstructure formation may be relevant for advanced solidification processing of multicomponent monotectic alloys.

Two-dimensional phase fraction charts

International Nuclear Information System (INIS)

Morral, J.E.

1984-01-01

A phase fraction chart is a graphical representation of the amount of each phase present in a system as a function of temperature, composition or other variable. Examples are phase fraction versus temperature charts used to characterize specific alloys and as a teaching tool in elementary texts, and Schaeffler diagrams used to predict the amount of ferrite in stainless steel welds. Isothermal-transformation diagrams (TTT diagrams) are examples that give phase (or microconstituent) amount versus temperature and time. The purpose of this communication is to discuss the properties of two-dimensional phase fraction charts in more general terms than have been reported before. It is shown that they can represent multi-component, multiphase equilibria in a way which is easier to read and which contains more information than the isotherms and isopleths of multi-component phase diagrams

Evolution of Fe based intermetallic phases in Al–Si hypoeutectic casting alloys: Influence of the Si and Fe concentrations, and solidification rate

Energy Technology Data Exchange (ETDEWEB)

Gorny, Anton; Manickaraj, Jeyakumar [Light Metal Casting Research Centre (LMCRC), Department of Mechanical Engineering, McMaster University, 1280 Main Street W, Hamilton, ON, Canada L8S 4L7 (Canada); Cai, Zhonghou [Advanced Photon Source, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Shankar, Sumanth, E-mail: shankar@mcmaster.ca [Light Metal Casting Research Centre (LMCRC), Department of Mechanical Engineering, McMaster University, 1280 Main Street W, Hamilton, ON, Canada L8S 4L7 (Canada)

2013-11-15

Highlights: •Anomalous evolution of Fe based intermetallic phases in Al–Si–Fe alloys. •XRF coupled with nano-diffraction to confirm the nano-size Fe intermetallic phases. •Crystallography of the θ-Al{sub 13}Fe{sub 4}, τ{sub 5}-Al{sub 8}Fe{sub 2}Si and τ{sub 6}-Al{sub 9}Fe{sub 2}Si{sub 2} phases. •Peritectic reactions involving the Fe intermetallic phases in Al–Si–Fe alloys. -- Abstract: Al–Si–Fe hypoeutectic cast alloy system is very complex and reported to produce numerous Fe based intermetallic phases in conjunction with Al and Si. This publication will address the anomalies of phase evolution in the Al–Si–Fe hypoeutectic casting alloy system; the anomaly lies in the peculiarities in the evolution and nature of the intermetallic phases when compared to the thermodynamic phase diagram predictions and past publications of the same. The influence of the following parameters, in various combinations, on the evolution and nature of the intermetallic phases were analyzed and reported: concentration of Si between 2 and 12.6 wt%, Fe between 0.05 and 0.5 wt% and solidification rates of 0.1, 1, 5 and 50 K s{sup −1}. Two intermetallic phases are observed to evolve in these alloys under these solidification conditions: the τ{sub 5}-Al{sub 8}SiFe{sub 2} and τ{sub 6}-Al{sub 9}Fe{sub 2}Si{sub 2}. The τ{sub 5}-Al{sub 8}SiFe{sub 2} phase evolves at all levels of the parameters during solidification and subsequently transforms into the τ{sub 6}-Al{sub 9}Fe{sub 2}Si{sub 2} through a peritectic reaction when promoted by certain combinations of solidification parameters such as higher Fe level, lower Si level and slower solidification rates. Further, it is also hypothesized from experimental evidences that the θ-Al{sub 13}Fe{sub 4} binary phase precludes the evolution of the τ{sub 5} during solidification and subsequently transforms into the τ{sub 6} phase during solidification. These observations are anomalous to the publications as prior art and

Numerical simulation of freckle formation in directional solidification of binary alloys

Science.gov (United States)

Felicelli, Sergio D.; Heinrich, Juan C.; Poirier, David R.

1992-01-01

A mathematical model of solidification is presented which simulates the formation of segregation models known as 'freckles' during directional solidification of binary alloys. The growth of the two-phase or dendritic zone is calculated by solving the coupled equations of momentum, energy, and solute transport, as well as maintaining the thermodynamic constraints dictated by the phase diagram of the alloy. Calculations for lead-tin alloys show that the thermosolutal convection in the dendritic zone during solidification can produce heavily localized inhomogeneities in the composition of the final alloy.

From MIPS to Vicsek: A comprehensive phase diagram for self-propelled rods

Science.gov (United States)

Shi, Xiaqing

Self-propelled rods interacting by volume exclusion is one of the simplest active matter systems. Despite years of effort, no comprehensive picture of their phase diagram is available. Furthermore, results on explicit rods are so far largely disconnected from those obtained on the relatively better understood cases of motility induced phase separation (MIPS) of (usually) isotropic active particles, and from our current knowledge of Vicsek-style aligning point particles. In this talk, I will present a complete phase diagram of a generic model of self-propelled rods and show how it is connected to both MIPS and Vicsek worlds.

Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

International Nuclear Information System (INIS)

Keskin, Mustafa; Canko, Osman; Deviren, Bayram

2007-01-01

We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 0 5.06

Phase diagram study of a dimerized spin-S zig–zag ladder

International Nuclear Information System (INIS)

Matera, J M; Lamas, C A

2014-01-01

The phase diagram of a frustrated spin-S zig–zag ladder is studied through different numerical and analytical methods. We show that for arbitrary S, there is a family of Hamiltonians for which a fully-dimerized state is an exact ground state, being the Majumdar–Ghosh point for a particular member of the family. We show that the system presents a transition between a dimerized phase to a Néel-like phase for S = 1/2, and spiral phases can appear for large S. The phase diagram is characterized by means of a generalization of the usual mean field approximation. The novelty in the present implementation is to consider the strongest coupled sites as the unit cell. The gap and the excitation spectrum is analyzed through the random phase approximation. Also, a perturbative treatment to obtain the critical points is discussed. Comparisons of the results with numerical methods like the Density Matrix Renormalization Group are also presented. (paper)

Electron concentration and phase stability in NbCr2-based Laves phase alloys

Energy Technology Data Exchange (ETDEWEB)

Zhu, J.H.; Liaw, P.K. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Liu, C.T. [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.

1997-05-12

Phase stability in NbCr{sub 2}-based transition-metal Laves phases was studied, based on the data reported for binary X-Cr, Nb-X, and ternary Nb-Cr-X phase diagrams. It was shown that when the atomic size ratios are kept identical, the average electron concentration factor, e/a, is the dominating factor in controlling the phase stability of NbCr{sub 2}-based transition-metal Laves phases. The e/a ratios for different Laves polytypes were determined as followed: with e/a < 5.76, the C15 structure is stabilized; at an e/a range of 5.88--7.53, the C14 structure is stabilized; with e/a > 7.65, the C15 structure is stabilized again. A further increase in the electron concentration factor (e/a > 8) leads to the disordering of the alloy. The electron concentration effect on the phase stability of Mg-based Laves phases and transition-metal A{sub 3}B intermetallic compounds is also reviewed and compared with the present observations in transition-metal Laves phases. In order to verify the e/a/phase stability relationship experimentally, additions of Cu (with e/a = 11) were selected to replace Cr in the NbCr{sub 2} Laves phase. Experimental results for the ternary Nb-Cr-Cu system are reported and discussed in terms of the correlation between the e/a ratio and phase stability in NbCr{sub 2}-based Laves phases. A new phase was found, which has an average composition of Nb-47Cr-3Cu. Within the solubility limit, the electron concentration and phase stability relationship is obeyed in the Nb-Cr-Cu system.

How little data is enough? Phase-diagram analysis of sparsity-regularized X-ray computed tomography.

Science.gov (United States)

Jørgensen, J S; Sidky, E Y

2015-06-13

We introduce phase-diagram analysis, a standard tool in compressed sensing (CS), to the X-ray computed tomography (CT) community as a systematic method for determining how few projections suffice for accurate sparsity-regularized reconstruction. In CS, a phase diagram is a convenient way to study and express certain theoretical relations between sparsity and sufficient sampling. We adapt phase-diagram analysis for empirical use in X-ray CT for which the same theoretical results do not hold. We demonstrate in three case studies the potential of phase-diagram analysis for providing quantitative answers to questions of undersampling. First, we demonstrate that there are cases where X-ray CT empirically performs comparably with a near-optimal CS strategy, namely taking measurements with Gaussian sensing matrices. Second, we show that, in contrast to what might have been anticipated, taking randomized CT measurements does not lead to improved performance compared with standard structured sampling patterns. Finally, we show preliminary results of how well phase-diagram analysis can predict the sufficient number of projections for accurately reconstructing a large-scale image of a given sparsity by means of total-variation regularization.

P-T-x phase diagrams of MeF-UF4(Me=Li-Cs) systems

International Nuclear Information System (INIS)

Korenev, Yu.M.; Rykov, A.N.; Varkov, M.V.; Novoselova, A.V.

1988-01-01

Vapor composition and general pressure at three-phase equilibria in the MeF-UF 4 (Me=Li-Cs) systems are calculated using the values of independent component activities obtained earlier together with the data on fusibility diagrams. P-T and T-x projections of phase diagrams of these systems are constructed

Phase Diagrams of the Aqueous Two-Phase Systems of Poly(ethylene glycol/Sodium Polyacrylate/Salts

Directory of Open Access Journals (Sweden)

Adalberto Pessoa Junior

2011-03-01

Full Text Available Aqueous two-phase systems consisting of polyethylene glycol (PEG, sodium polyacrylate (NaPAA, and a salt have been studied. The effects of the polymer size, salt type (NaCl, Na2SO4, sodium adipate and sodium azelate and salt concentrations on the position of the binodal curve were investigated. The investigated PEG molecules had a molar mass of 2,000 to 8,000 g/mol, while that of NaPAA was 8,000 g/mol. Experimental phase diagrams, and tie lines and calculated phase diagrams, based on Flory-Huggins theory of polymer solutions are presented. Due to strong enthalpic and entropic balancing forces, the hydrophobicity of the added salt has a strong influence on the position of the binodal, which could be reproduced by model calculations.

Quarks and gluons in the phase diagram of quantum chromodynamics

Energy Technology Data Exchange (ETDEWEB)

Welzbacher, Christian Andreas

2016-07-14

In this dissertation we study the phase diagram of strongly interacting matter by approaching the theory of quantum chromodynamics in the functional approach of Dyson-Schwinger equations. With these quantum (field) equations of motions we calculate the non-perturbative quark propagator within the Matsubara formalism. We built up on previous works and extend the so-called truncation scheme, which is necessary to render the infinite tower of Dyson-Schwinger equations finite and study phase transitions of chiral symmetry and the confinement/deconfinement transition. In the first part of this thesis we discuss general aspects of quantum chromodynamics and introduce the Dyson-Schwinger equations in general and present the quark Dyson-Schwinger equation together with its counterpart for the gluon. The Bethe-Salpeter equation is introduced which is necessary to perform two-body bound state calculations. A view on the phase diagram of quantum chromodynamics is given, including the discussion of order parameter for chiral symmetry and confinement. Here we also discuss the dependence of the phase structure on the masses of the quarks. In the following we present the truncation and our results for an unquenched N{sub f} = 2+1 calculation and compare it to previous studies. We highlight some complementary details for the quark and gluon propagator and discus the resulting phase diagram, which is in agreement with previous work. Results for an equivalent of the Columbia plot and the critical surface are discussed. A systematically improved truncation, where the charm quark as a dynamical quark flavour is added, will be presented in Ch. 4. An important aspect in this investigation is the proper adjustment of the scales. This is done by matching vacuum properties of the relevant pseudoscalar mesons separately for N{sub f} = 2+1 and N f = 2+1+1 via a solution of the Bethe-Salpeter equation. A comparison of the resulting N{sub f} = 2+1 and N{sub f} = 2+1+1 phase diagram indicates

Phase diagram of Pr-P system

International Nuclear Information System (INIS)

Mironov, K.E.

1981-01-01

An area of the Pr-P system, adjoining to the Pr ordinate, is plotted up by the DTA method. Presence of P solid solution in Pr is established. Data on thermal stability of PrP, PrP 2 , PrP 5 and PrP 7 are generalized. The diagram of phase transformations in Pr-P system is plotted up proceeding from the whole complex of the data, presented. A supposition is made on a possible formation of solid solutions between the highest polyphosphide and phosphorus [ru

First-Order Transitions and the Magnetic Phase Diagram of CeSb

DEFF Research Database (Denmark)

Lebech, Bente; Clausen, Kurt Nørgaard; Vogt, O.

1980-01-01

might exist in the magnetic phase diagram of CeSb at 16K for a field of approximately 0.3 T. The present study concludes that the transitions from the paramagnetic to the magnetically ordered states are of first order for fields below 0.8 T. Within the experimental accuracy no change has been observed......The high-temperature (14-17K) low-magnetic field (0-0.8 T) region of the phase diagram of the anomalous antiferromagnet CeSb has been reinvestigated by neutron diffraction in an attempt to locate a possible tricritical point. Previous neutron diffraction studies indicated that a tricritical point...

Pseudo-critical point in anomalous phase diagrams of simple plasma models

Science.gov (United States)

Chigvintsev, A. Yu; Iosilevskiy, I. L.; Noginova, L. Yu

2016-11-01

Anomalous phase diagrams in subclass of simplified (“non-associative”) Coulomb models is under discussion. The common feature of this subclass is absence on definition of individual correlations for charges of opposite sign. It is e.g. modified OCP of ions on uniformly compressible background of ideal Fermi-gas of electrons OCP(∼), or a superposition of two non-ideal OCP(∼) models of ions and electrons etc. In contrast to the ordinary OCP model on non-compressible (“rigid”) background OCP(#) two new phase transitions with upper critical point, boiling and sublimation, appear in OCP(∼) phase diagram in addition to the well-known Wigner crystallization. The point is that the topology of phase diagram in OCP(∼) becomes anomalous at high enough value of ionic charge number Z. Namely, the only one unified crystal- fluid phase transition without critical point exists as continuous superposition of melting and sublimation in OCP(∼) at the interval (Z 1 points at both boundary values Z = Z 1 ≈ 35.5 and Z = Z 2 ≈ 40.0. It should be stressed that critical isotherm is exactly cubic in both these pseudo-critical points. In this study we have improved our previous calculations and utilized more complicated model components equation of state provided by Chabrier and Potekhin (1998 Phys. Rev. E 58 4941).

The phase diagram of solid hydrogen at high pressure: A challenge for first principles calculations

Science.gov (United States)

Azadi, Sam; Foulkes, Matthew

2015-03-01

We present comprehensive results for the high-pressure phase diagram of solid hydrogen. We focus on the energetically most favorable molecular and atomic crystal structures. To obtain the ground-state static enthalpy and phase diagram, we use semi-local and hybrid density functional theory (DFT) as well as diffusion quantum Monte Carlo (DMC) methods. The closure of the band gap with increasing pressure is investigated utilizing quasi-particle many-body calculations within the GW approximation. The dynamical phase diagram is calculated by adding proton zero-point energies (ZPE) to static enthalpies. Density functional perturbation theory is employed to calculate the proton ZPE and the infra-red and Raman spectra. Our results clearly demonstrate the failure of DFT-based methods to provide an accurate static phase diagram, especially when comparing insulating and metallic phases. Our dynamical phase diagram obtained using fully many-body DMC calculations shows that the molecular-to-atomic phase transition happens at the experimentally accessible pressure of 374 GPa. We claim that going beyond mean-field schemes to obtain derivatives of the total energy and optimize crystal structures at the many-body level is crucial. This work was supported by the UK engineering and physics science research council under Grant EP/I030190/1, and made use of computing facilities provided by HECTOR, and by the Imperial College London high performance computing centre.

Ferromagnetic quantum criticality: New aspects from the phase diagram of LaCrGe3

Science.gov (United States)

Taufour, Valentin; Kaluarachchi, Udhara S.; Bud'ko, Sergey L.; Canfield, Paul C.

2018-05-01

Recent theoretical and experimental studies have shown that ferromagnetic quantum criticality is always avoided in clean systems. Two possibilities have been identified. In the first scenario, the ferromagnetic transition becomes of the first order at a tricritical point before being suppressed. A wing structure phase diagram is observed indicating the possibility of a new type of quantum critical point under magnetic field. In a second scenario, a transition to a modulated magnetic phase occurs. Our recent studies on the compound LaCrGe3 illustrate a third scenario where not only a new magnetic phase occurs, but also a change of order of the transition at a tricritical point leading to a wing-structure phase diagram. Careful experimental study of the phase diagram near the tricritical point also illustrates new rules near this type of point.

Uhlenbeck-Ford model: Phase diagram and corresponding-states analysis

Science.gov (United States)

Paula Leite, Rodolfo; Santos-Flórez, Pedro Antonio; de Koning, Maurice

2017-09-01

Using molecular dynamics simulations and nonequilibrium thermodynamic-integration techniques we compute the Helmholtz free energies of the body-centered-cubic (bcc), face-centered-cubic (fcc), hexagonal close-packed, and fluid phases of the Uhlenbeck-Ford model (UFM) and use the results to construct its phase diagram. The pair interaction associated with the UFM is characterized by an ultrasoft, purely repulsive pair potential that diverges logarithmically at the origin. We find that the bcc and fcc are the only thermodynamically stable crystalline phases in the phase diagram. Furthermore, we report the existence of two reentrant transition sequences as a function of the number density, one featuring a fluid-bcc-fluid succession and another displaying a bcc-fcc-bcc sequence near the triple point. We find strong resemblances to the phase behavior of other soft, purely repulsive systems such as the Gaussian-core model (GCM), inverse-power-law, and Yukawa potentials. In particular, we find that the fcc-bcc-fluid triple point and the phase boundaries in its vicinity are in good agreement with the prediction supplied by a recently proposed corresponding-states principle [J. Chem. Phys. 134, 241101 (2011), 10.1063/1.3605659; Europhys. Lett. 100, 66004 (2012), 10.1209/0295-5075/100/66004]. The particularly strong resemblance between the behavior of the UFM and GCM models are also discussed.

Highly Accurate Calculations of the Phase Diagram of Cold Lithium

Science.gov (United States)

Shulenburger, Luke; Baczewski, Andrew

The phase diagram of lithium is particularly complicated, exhibiting many different solid phases under the modest application of pressure. Experimental efforts to identify these phases using diamond anvil cells have been complemented by ab initio theory, primarily using density functional theory (DFT). Due to the multiplicity of crystal structures whose enthalpy is nearly degenerate and the uncertainty introduced by density functional approximations, we apply the highly accurate many-body diffusion Monte Carlo (DMC) method to the study of the solid phases at low temperature. These calculations span many different phases, including several with low symmetry, demonstrating the viability of DMC as a method for calculating phase diagrams for complex solids. Our results can be used as a benchmark to test the accuracy of various density functionals. This can strengthen confidence in DFT based predictions of more complex phenomena such as the anomalous melting behavior predicted for lithium at high pressures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Chemical interactions and thermodynamic studies in aluminum alloy/molten salt systems

Science.gov (United States)

Narayanan, Ramesh

The recycling of aluminum and aluminum alloys such as Used Beverage Container (UBC) is done under a cover of molten salt flux based on (NaCl-KCl+fluorides). The reactions of aluminum alloys with molten salt fluxes have been investigated. Thermodynamic calculations are performed in the alloy/salt flux systems which allow quantitative predictions of the equilibrium compositions. There is preferential reaction of Mg in Al-Mg alloy with molten salt fluxes, especially those containing fluorides like NaF. An exchange reaction between Al-Mg alloy and molten salt flux has been demonstrated. Mg from the Al-Mg alloy transfers into the salt flux while Na from the salt flux transfers into the metal. Thermodynamic calculations indicated that the amount of Na in metal increases as the Mg content in alloy and/or NaF content in the reacting flux increases. This is an important point because small amounts of Na have a detrimental effect on the mechanical properties of the Al-Mg alloy. The reactions of Al alloys with molten salt fluxes result in the formation of bluish purple colored "streamers". It was established that the streamer is liquid alkali metal (Na and K in the case of NaCl-KCl-NaF systems) dissipating into the melt. The melts in which such streamers were observed are identified. The metal losses occurring due to reactions have been quantified, both by thermodynamic calculations and experimentally. A computer program has been developed to calculate ternary phase diagrams in molten salt systems from the constituting binary phase diagrams, based on a regular solution model. The extent of deviation of the binary systems from regular solution has been quantified. The systems investigated in which good agreement was found between the calculated and experimental phase diagrams included NaF-KF-LiF, NaCl-NaF-NaI and KNOsb3-TINOsb3-LiNOsb3. Furthermore, an insight has been provided on the interrelationship between the regular solution parameters and the topology of the phase

Microstructural characterization of alloys of the quasibinary Cu-NiBe system

Energy Technology Data Exchange (ETDEWEB)

Spaic, S.; Markoli, B. [Univ. of Ljubljana, Faculty of Natural Science and Engineering, Ljubljana (Slovenia)

2003-08-01

Alloys of the quasibinary section Cu-NiBe were experimentally investigated with differential thermal analysis, optical microscopy, electron microanalysis, transmission electron microscopy and X-ray diffraction. The construction of the quasibinary Cu-NiBe phase diagram was made based on the experimental results. The constitution of alloys of the whole section was studied along with the investigation of the microstructure and crystallographic relationship of the NiBe phase in aged alloys from the Cu-rich corner of the Cu-NiBe system. (orig.)

Thermodynamic study of CVD-ZrO{sub 2} phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Torres-Huerta, A.M., E-mail: atorresh@ipn.m [Research Center for Applied Science and Advanced Technology, Altamira-IPN, Altamira C.P.89600 Tamaulipas (Mexico); Vargas-Garcia, J.R. [Dept of Metallurgical Eng., ESIQIE-IPN, Mexico 07300 D.F. (Mexico); Dominguez-Crespo, M.A. [Research Center for Applied Science and Advanced Technology, Altamira-IPN, Altamira C.P.89600 Tamaulipas (Mexico); Romero-Serrano, J.A. [Dept of Metallurgical Eng., ESIQIE-IPN, Mexico 07300 D.F. (Mexico)

2009-08-26

Chemical vapor deposition (CVD) of zirconium oxide (ZrO{sub 2}) from zirconium acetylacetonate Zr(acac){sub 4} has been thermodynamically investigated using the Gibbs' free energy minimization method and the FACTSAGE program. Thermodynamic data Cp{sup o}, DELTAH{sup o} and S{sup o} for Zr(acac){sub 4} have been estimated using the Meghreblian-Crawford-Parr and Benson methods because they are not available in the literature. The effect of deposition parameters, such as temperature and pressure, on the extension of the region where pure ZrO{sub 2} can be deposited was analyzed. The results are presented as calculated CVD stability diagrams. The phase diagrams showed two zones, one of them corresponds to pure monoclinic phase of ZrO{sub 2} and the other one corresponds to a mix of monoclinic phase of ZrO{sub 2} and graphite carbon.

Decagonal quasicrystalline phase in as-cast and mechanically alloyed Al–Cu–Cr alloys

International Nuclear Information System (INIS)

Shevchukov, A.P.; Sviridova, T.A.; Kaloshkin, S.D.; Tcherdyntsev, V.V.; Gorshenkov, M.V.; Churyukanova, M.N.; Zhang, D.; Li, Z.

2014-01-01

Highlights: ► Microstructure of as-cast Al–Cu–Cr alloys was investigated. ► Composition of decagonal quasicrystalline phase was determined. ► Single-phase decagonal quasicrystalline powder was obtained. ► Phase composition changes during heating were controlled using DSC and X-ray diffraction. -- Abstract: Microstructure and phase composition of three Al-rich as-cast alloys of Al–Cu–Cr system were investigated by X-ray diffraction analysis (XRD) and scanning electron microscopy (SEM). The decagonal quasicrystalline phase is contained in all alloys under study and has grains with faceted shape, its composition lies in the range of 71–73 at.% Al, 11–12 at.% Cu and 15–18 at.% Cr. The heating in calorimeter of the mechanically alloyed Al 73 Cu 11 Cr 16 powder up to 600 °C leads to the formation of the pure decagonal phase. Total thermal effect in the temperature range 250–600 °C corresponding to the quasicrystalline phase formation is about 15 kJ/mol

Phase-field model of eutectic growth

International Nuclear Information System (INIS)

Karma, A.

1994-01-01

A phase-field model which describes the solidification of a binary eutectic alloy with a simple symmetric phase diagram is introduced and the sharp-interface limit of this model is explored both analytically and numerically

Temperature-dependent pitch and phase diagram for incommensurate XY spins in a slab geometry

International Nuclear Information System (INIS)

Collins, M.; Saslow, W.M.

1996-01-01

Strain-engineered Heisenberg antiferromagnets recently have been produced by controlling the layer thickness of MnSe/ZnTe superlattices. Neutron-scattering studies reveal a spiral that tends to untwist with increasing temperature. To simulate this system, we employ an XY model with nearest- and second-nearest neighbor antiferromagnetic interactions. The bulk mean-field phase diagram has four possible phases, for the full range of the exchange constants. Monte Carlo calculations are performed for a slab geometry, using an algorithm that allows the system to choose incommensurate boundary conditions. The phase diagram is constructed by monitoring the spiral pitch as a function of temperature for a range of exchange constants. For appropriate exchange constants, good agreement is obtained with experiment. From the mean-field phase diagram it appears that strain engineering an NaCl structure in a superlattice configuration might produce a type of spiral phase, and an associated antiferromagnetic-to-spiral phase transition. copyright 1996 The American Physical Society

Phase formation in alloy-type anode materials in the quaternary system Li-Sn-Si-C

Energy Technology Data Exchange (ETDEWEB)

Druee, Martin; Seyring, Martin [Jena Univ. (Germany). Otto Schott Inst. of Materials Research; Liang, Song-Mao; Kozlov, Artem; Schmid-Fetzer, Rainer [Clausthal Univ. of Technology, Clausthal-Zellerfeld (Germany). Inst. of Metallurgy; Song, Xiaoyan [Beijing Univ. of Technology (China). Key Lab. of Advanced Functional Materials; Rettenmayr, Markus [Jena Univ. (Germany). Otto Schott Inst. of Materials Research; Jena Univ. (Germany). Center for Energy and Environmental

2017-11-15

Investigations on the thermodynamics of alloy-type anode materials have been carried out for the quaternary Li-C-Si-Sn system. Phase equilibria and phase stabilities were characterized in the binary subsystems Li-C, Li-Si, Li-Sn. The Calphad method was first used to optimize or completely re-establish all binary subsystems containing Li. For reasons of consistency, the binary subsystem Si-C had to be revisited and its Calphad description was modified. The ternary phase diagrams were then tentatively calculated by extrapolation from the binary subsystems and confirmed by key experiments. No ternary compounds were found. In order to verify the applicability of the anode materials in real batteries, some of the materials were nanostructured by ball milling and spark plasma sintering, the corresponding nanostructures were characterized. Theoretical predictions that nanograined Li{sub 2}C{sub 2} can also be used as cathode material were verified experimentally. The methodologies worked out in the present project (e.g. nanoscale structure transmission electron microscopy analysis, glow discharge optical emission spectroscopy) were also employed in other projects and led to publications concerning other materials such as Mg alloys, carbon nanofibers and an Mn-based antiperovskite.

Canonical phase diagrams of the 1D Falicov-Kimball model at T = O

Science.gov (United States)

Gajek, Z.; Jȩdrzejewski, J.; Lemański, R.

1996-02-01

The Falicov-Kimball model of spinless quantum electrons hopping on a 1-dimensional lattice and of immobile classical ions occupying some lattice sites, with only intrasite coupling between those particles, have been studied at zero temperature by means of well-controlled numerical procedures. For selected values of the unique coupling parameter U the restricted phase diagrams (based on all the periodic configurations of localized particles (ions) with period not greater than 16 lattice constants, typically) have been constructed in the grand-canonical ensemble. Then these diagrams have been translated into the canonical ensemble. Compared to the diagrams obtained in other studies our ones contain more details, in particular they give better insight into the way the mixtures of periodic phases are formed. Our study has revealed several families of new characteristic phases like the generalized most homogeneous and the generalized crenel phases, a first example of a structural phase transition and a tendency to build up an additional symmetry - the hole-particle symmetry with respect to the ions (electrons) only, as U decreases.

Two phase titanium aluminide alloy

Science.gov (United States)

Deevi, Seetharama C.; Liu, C. T.

2001-01-01

A two-phase titanic aluminide alloy having a lamellar microstructure with little intercolony structures. The alloy can include fine particles such as boride particles at colony boundaries and/or grain boundary equiaxed structures. The alloy can include alloying additions such as .ltoreq.10 at % W, Nb and/or Mo. The alloy can be free of Cr, V, Mn, Cu and/or Ni and can include, in atomic %, 45 to 55% Ti, 40 to 50% Al, 1 to 5% Nb, 0.3 to 2% W, up to 1% Mo and 0.1 to 0.3% B. In weight %, the alloy can include 57 to 60% Ti, 30 to 32% Al, 4 to 9% Nb, up to 2% Mo, 2 to 8% W and 0.02 to 0.08% B.

The phase diagrams of a ferromagnetic thin film in a random magnetic field

Energy Technology Data Exchange (ETDEWEB)

Zaim, N.; Zaim, A., E-mail: ah_zaim@yahoo.fr; Kerouad, M., E-mail: m.kerouad@fs-umi.ac.ma

2016-10-07

In this paper, the magnetic properties and the phase diagrams of a ferromagnetic thin film with a thickness N in a random magnetic field (RMF) are investigated by using the Monte Carlo simulation technique based on the Metropolis algorithm. The effects of the RMF and the surface exchange interaction on the critical behavior are studied. A variety of multicritical points such as tricritical points, isolated critical points, and triple points are obtained. It is also found that the double reentrant phenomenon can appear for appropriate values of the system parameters. - Highlights: • Phase diagrams of a ferromagnetic thin film are examined by the Monte Carlo simulation. • The effect of the random magnetic field on the magnetic properties is studied. • Different types of the phase diagrams are obtained. • The dependence of the magnetization and susceptibility on the temperature are investigated.

Microstructures and coherent phase diagram for the pseudobinary system (AuCu)1-xPd x with x ≤ 0.10

International Nuclear Information System (INIS)

Luciano, Rhodora H.; Shiraishi, Takanobu; Udoh, Koh-ichi; Tanaka, Yasuhiro; Hisatsune, Kunihiro

2005-01-01

A coherent phase diagram for the pseudobinary system (AuCu) 1-x Pd x with x ≤ 0.10 was constructed based on phase identification and microstructural analysis by transmission electron microscopy. It was confirmed that the addition of palladium exceeding 1.0 at.% to the equiatomic AuCu eliminated the AuCu II long-period superstructure from the phase equilibria and stabilized the AuCu I superstructure. The AuCu-0.5 at.% Pd and AuCu-1.0 at.% Pd alloys isothermally aged for long time at temperatures ranging from 380 to 420 deg. C exhibited seven distinguishable regions; a single-phase region of disordered solid solution (α); a single-phase region of AuCu I ordered phase; a single-phase region of AuCu II ordered phase; a region of the coexisting AuCu I and AuCu II ordered phases; a region of the coexisting AuCu I ordered and α phases; a region of the coexisting AuCu II ordered and α phases; and a region of the coexisting AuCu I and AuCu II ordered and α phases

High-pressure phase diagrams of liquid CO2 and N2

Science.gov (United States)

Boates, Brian; Bonev, Stanimir

2011-06-01

The phase diagrams of liquid CO2 and N2 have been investigated using first-principles theory. Both materials exhibit transitions to conducting liquids at high temperatures (T) and relatively modest pressures (P). Furthermore, both liquids undergo polymerization phase transitions at pressures comparable to their solid counterparts. The liquid phase diagrams have been divided into several regimes through a detailed analysis of changes in bonding, as well as structural and electronic properties for pressures and temperatures up to 200 GPa and 10 000 K, respectively. Similarities and differences between the high- P and T behavior of these fluids will be discussed. Calculations of the Hugoniot are in excellent agreement with available experimental data. Work supported by NSERC, LLNL, and the Killam Trusts. Prepared by LLNL under Contract DE-AC52-07NA27344.

Phase diagram and tricritical behavior of an metamagnet in uniform and random fields

International Nuclear Information System (INIS)

Liang Yaqiu; Wei Guozhu; Xu Xiaojuan; Song Guoli

2010-01-01

A two-sublattice Ising metamagnet in both uniform and random fields is studied within the mean-field approach based on Bogoliubov's inequality for the Gibbs free energy. We show that the qualitative features of the phase diagrams are dependent on the parameters of the model and the uniform field values. The tricritical point and reentrant phenomenon can be observed on the phase diagram. The reentrance is due to the competition between uniform and random interactions.

A proposed phase equilibrium diagram for Pt-Zr system

International Nuclear Information System (INIS)

Arias, D.E.; Gribaudo, L.

1993-01-01

A revision of the phase diagram of the Pt-Zr system is presented using up to date information from recent publications. The proposed change concerning the invariant transformation in the Pt-rich zone is supported by simplified thermodynamic evaluations. (author). 12 refs., 1 fig

Quest for the QCD phase diagram in extreme environments

Energy Technology Data Exchange (ETDEWEB)

Fukushima, Kenji, E-mail: fuku@rk.phys.keio.ac.jp [Keio University, Department of Physics (Japan)

2013-03-15

We review the state-of-the-art status of the research on the phase diagram of QCD matter out of quarks and gluons. Our discussions particularly include the extreme environments such as the high temperature, the high baryon density, and the strong magnetic field.

Polariton condensation phase diagram in wide-band-gap planar microcavities: GaN versus ZnO

Science.gov (United States)

Jamadi, O.; Réveret, F.; Mallet, E.; Disseix, P.; Médard, F.; Mihailovic, M.; Solnyshkov, D.; Malpuech, G.; Leymarie, J.; Lafosse, X.; Bouchoule, S.; Li, F.; Leroux, M.; Semond, F.; Zuniga-Perez, J.

2016-03-01

The polariton condensation phase diagram is compared in GaN and ZnO microcavities grown on mesa-patterned silicon substrate. Owing to a common platform, these microcavities share similar photonic properties with large quality factors and low photonic disorder, which makes it possible to determine the optimal spot diameter and to realize a thorough phase diagram study. Both systems have been investigated under the same experimental conditions. The experimental results and the subsequent analysis reveal clearly that longitudinal optical phonons have no influence in the thermodynamic region of the condensation phase diagram, while they allow a strong (slight) decrease of the polariton lasing threshold in the trade-off zone (kinetic region). Phase diagrams are compared with numerical simulations using Boltzmann equations, and are in satisfactory agreement. A lower polariton lasing threshold has been measured at low temperature in the ZnO microcavity, as is expected due to a larger Rabi splitting. This study highlights polariton relaxation mechanisms and their importance in polariton lasing.

Pseudo-critical point in anomalous phase diagrams of simple plasma models

International Nuclear Information System (INIS)

Chigvintsev, A Yu; Iosilevskiy, I L; Noginova, L Yu

2016-01-01

Anomalous phase diagrams in subclass of simplified (“non-associative”) Coulomb models is under discussion. The common feature of this subclass is absence on definition of individual correlations for charges of opposite sign. It is e.g. modified OCP of ions on uniformly compressible background of ideal Fermi-gas of electrons OCP(∼), or a superposition of two non-ideal OCP(∼) models of ions and electrons etc. In contrast to the ordinary OCP model on non-compressible (“rigid”) background OCP(#) two new phase transitions with upper critical point, boiling and sublimation, appear in OCP(∼) phase diagram in addition to the well-known Wigner crystallization. The point is that the topology of phase diagram in OCP(∼) becomes anomalous at high enough value of ionic charge number Z . Namely, the only one unified crystal- fluid phase transition without critical point exists as continuous superposition of melting and sublimation in OCP(∼) at the interval ( Z 1 < Z < Z 2 ). The most remarkable is appearance of pseudo-critical points at both boundary values Z = Z 1 ≈ 35.5 and Z = Z 2 ≈ 40.0. It should be stressed that critical isotherm is exactly cubic in both these pseudo-critical points. In this study we have improved our previous calculations and utilized more complicated model components equation of state provided by Chabrier and Potekhin (1998 Phys. Rev. E 58 4941). (paper)

Thermodynamic and experimental study on phase stability in nanocrystalline alloys

International Nuclear Information System (INIS)

Xu Wenwu; Song Xiaoyan; Lu Nianduan; Huang Chuan

2010-01-01

Nanocrystalline alloys exhibit apparently different phase transformation characteristics in comparison to the conventional polycrystalline alloys. The special phase stability and phase transformation behavior, as well as the essential mechanisms of the nanocrystalline alloys, were described quantitatively in a nanothermodynamic point of view. By introducing the relationship between the excess volume at the grain boundary and the nanograin size, the Gibbs free energy was determined distinctly as a function of temperature and the nanograin size. Accordingly, the grain-size-dependence of the phase stability and phase transformation characteristics of the nanocrystalline alloy were calculated systematically, and the correlations between the phase constitution, the phase transformation temperature and the critical nanograin size were predicted. A series of experiments was performed to investigate the phase transformations at room temperature and high temperatures using the nanocrystalline Sm 2 Co 17 alloy as an example. The phase constitution and phase transformation sequence found in nanocrystalline Sm 2 Co 17 alloys with various grain-size levels agree well with the calculations by the nanothermodynamic model.

Multicritical phase diagrams of the antiferromagnetic spin-3/2 Blume-Capel model

Energy Technology Data Exchange (ETDEWEB)

Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)]. E-mail: keskin@erciyes.edu.tr; Ali Pinar, M. [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Erdinc, Ahmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2006-04-24

The antiferromagnetic spin-3/2 Blume-Capel model in an external magnetic field is investigated, and the phase diagrams are obtained in detail by using the cluster variation method. The model exhibits distinct critical regions, including the first-order, second-order and special points: two double critical points, a critical end point, a tricritical point and a zero-temperature critical point. The new phase diagram topology is also found that was not obtained previously. Comparison of the results with those of other studies on this, and closely related systems, is made.

Multicritical phase diagrams of the antiferromagnetic spin-3/2 Blume-Capel model

International Nuclear Information System (INIS)

Keskin, Mustafa; Ali Pinar, M.; Erdinc, Ahmet; Canko, Osman

2006-01-01

The antiferromagnetic spin-3/2 Blume-Capel model in an external magnetic field is investigated, and the phase diagrams are obtained in detail by using the cluster variation method. The model exhibits distinct critical regions, including the first-order, second-order and special points: two double critical points, a critical end point, a tricritical point and a zero-temperature critical point. The new phase diagram topology is also found that was not obtained previously. Comparison of the results with those of other studies on this, and closely related systems, is made

Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm

Science.gov (United States)

Artrith, Nongnuch; Urban, Alexander; Ceder, Gerbrand

2018-06-01

The atomistic modeling of amorphous materials requires structure sizes and sampling statistics that are challenging to achieve with first-principles methods. Here, we propose a methodology to speed up the sampling of amorphous and disordered materials using a combination of a genetic algorithm and a specialized machine-learning potential based on artificial neural networks (ANNs). We show for the example of the amorphous LiSi alloy that around 1000 first-principles calculations are sufficient for the ANN-potential assisted sampling of low-energy atomic configurations in the entire amorphous LixSi phase space. The obtained phase diagram is validated by comparison with the results from an extensive sampling of LixSi configurations using molecular dynamics simulations and a general ANN potential trained to ˜45 000 first-principles calculations. This demonstrates the utility of the approach for the first-principles modeling of amorphous materials.

Thermal description of hypoeutectic Al-Si-Cu alloys using silicon equivalency

Directory of Open Access Journals (Sweden)

Mile B. Đurđević

2012-01-01

Full Text Available The modeling of casting processes has remained a topic of active interest for several decades, and availability of numerous software packages on the market is a good indication of the interest that the casting industry has in this field. Most of the data used in these software packages are read or estimated from the binary or multi-component phase diagrams. Unfortunately, except for binary diagrams, many of ternary or higher order phase diagrams are still not accurate enough. Having in mind that most of the aluminum binary systems are very well established, it has been tried to transfer a multi-component system into one well known Al-Xi pseudo binary system (in this case the Al-Si phase diagram was chosen as a reference system. The new Silicon Equivalency (SiEQ algorithm expresses the amounts of major and minor alloying elements in the aluminum melts through an 'equivalent' amount of silicon. Such a system could be used to calculate several thermo-physical and solidification characteristics of multi component as cast aluminum alloys. This lends the model the ability to make predictions of solidification characteristics of cast parts, where cooling rates are slow and the solidification process has to be known in great detail in order to avoid problems in the casting. This work demonstrates how the SiEQ algorithm can be used to calculate characteristic solidification temperatures of the multi-component hypoeutectic Al-Si-Cu alloys as well as their latent heats. SA statistical analysis of the results obtained for a wide range of alloy chemical compositions shows a very good correlation with the experimental data and the SiEQ calculations.

Glass and liquid phase diagram of a polyamorphic monatomic system

Science.gov (United States)

Reisman, Shaina; Giovambattista, Nicolas

2013-02-01

We perform out-of-equilibrium molecular dynamics (MD) simulations of a monatomic system with Fermi-Jagla (FJ) pair potential interactions. This model system exhibits polyamorphism both in the liquid and glass state. The two liquids, low-density (LDL) and high-density liquid (HDL), are accessible in equilibrium MD simulations and can form two glasses, low-density (LDA) and high-density amorphous (HDA) solid, upon isobaric cooling. The FJ model exhibits many of the anomalous properties observed in water and other polyamorphic liquids and thus, it is an excellent model system to explore qualitatively the thermodynamic properties of such substances. The liquid phase behavior of the FJ model system has been previously characterized. In this work, we focus on the glass behavior of the FJ system. Specifically, we perform systematic isothermal compression and decompression simulations of LDA and HDA at different temperatures and determine "phase diagrams" for the glass state; these phase diagrams varying with the compression/decompression rate used. We obtain the LDA-to-HDA and HDA-to-LDA transition pressure loci, PLDA-HDA(T) and PHDA-LDA(T), respectively. In addition, the compression-induced amorphization line, at which the low-pressure crystal (LPC) transforms to HDA, PLPC-HDA(T), is determined. As originally proposed by Poole et al. [Phys. Rev. E 48, 4605 (1993)], 10.1103/PhysRevE.48.4605 simulations suggest that the PLDA-HDA(T) and PHDA-LDA(T) loci are extensions of the LDL-to-HDL and HDL-to-LDL spinodal lines into the glass domain. Interestingly, our simulations indicate that the PLPC-HDA(T) locus is an extension, into the glass domain, of the LPC metastability limit relative to the liquid. We discuss the effects of compression/decompression rates on the behavior of the PLDA-HDA(T), PHDA-LDA(T), PLPC-HDA(T) loci. The competition between glass polyamorphism and crystallization is also addressed. At our "fast rate," crystallization can be partially suppressed and the

Refining U-Zr-Nb alloys by remelting

International Nuclear Information System (INIS)

Aguiar, B.M.; Kniess, C.T.; Riella, H.G.; Ferraz, W.B.

2011-01-01

The high density U-Zr-Nb and U-Nb uranium-based alloys can be employed as nuclear fuel in a PWR reactor due to their high density and nuclear properties. These alloys can stabilize the gamma phase, however, according to TTT diagrams, at the working temperature of a PWR reactor, all gamma phase transforms to α'' phase in a few hours. To avoid this kind of transformation during the nuclear reactor operation, the U-Zr-Nb alloy and U-Nn are used in α'' phase. The stability of α'' phase depends on the alloy composition and cooling rate. The alloy homogenization has to be very effective to eliminate precipitates rich in Zr and Nb to avoid changes in the alloying elements contents in the matrix. The homogenization was obtained by remelting the alloy and keeping it in the liquid state for enough time to promote floating of the precipitates (usually carbides, less dense) and leaving the matrix free of precipitates. However, this floating by density difference may result in segregation between the alloying elements (Nb and Zr, at the top) and uranium (at the bottom). The homogenized alloys were characterized in terms of metallographic techniques, optical microscopy, scanning electronic microscopy, EDS and X-ray diffraction. In this paper, it is shown that the contents of Zr and Nb at the bottom and at the top of the matrix are constant. (author)

PHASE DIAGRAM OF GELATINE-POLYURONATE COLLOIDS: ITS APPLICATION FOR MICROENCAPSULATION AND NOT ONLY

Directory of Open Access Journals (Sweden)

Alexei Baerle

2016-06-01

Full Text Available Phase state and the charge of colloidal particles in the gelatine-polyuronate system were studied. A method for comparative evaluation of molecular weight of colloids by means of viscosimetric measurements and electrophoresis was developed. It is shown that the Diagram {Phase state = f (composition, pH} contains six well-defined regions. The diagram explains and predicts the behaviour of protein-polysaccharide colloids, which are included in beverages or forms the shells of oil-containing microcapsules.

Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

Energy Technology Data Exchange (ETDEWEB)

Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)]. E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2007-06-15

We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 05.06.

Magnetic phase diagram of Ce2Fe17 under high pressures in high magnetic fields

International Nuclear Information System (INIS)

Ishikawa, Fumihiro; Goto, Tsuneaki; Fujii, Hironobu

2003-01-01

The magnetization of Ce 2 Fe 17 was precisely measured under high pressures up to 1.2 GPa in magnetic fields up to 18 T. The magnetic phase diagram in the B-T plane is determined at 0, 0.3, 0.4, 0.6, 0.9 and 1.2 GPa. At 0 GPa, five magnetic phases exist and the application of high pressure produces two additional magnetic phases. The shape of the phase diagram changes drastically with increasing pressure

Tight-binding calculation of Ti-Rh--type phase diagram

International Nuclear Information System (INIS)

Sluiter, M.; Turchi, P.; Fu Zezhong; de Fontaine, D.

1988-01-01

Tight-binding electronic band-structure calculations were combined with a free-energy expression from a statistical mechanical method called the cluster-variation method. The effective pair interactions used in the cluster-variation calculation were evaluated by the generalized perturbation method. Only d orbitals were included and the numbers of d electrons per atom were taken to be three for the pure A element and eight for the pure B. A phase diagram was constructed incorporating, for the first time, both fcc and bcc lattices and their simple-ordered superstructures. The calculated diagram agreed reasonably well with those determined empirically for Ti-Rh or Ti-Ir

Topological phase diagram of superconducting carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Milz, Lars; Marganska-Lyzniak, Magdalena; Grifoni, Milena [Institut I - Theoretische Physik Universitaet Regensburg (Germany)

2016-07-01

The topological superconducting phase diagram of superconducting carbon nanotubes is discussed. Under the assumption of a short-ranged pairing potential, there are two spin-singlet states: an s-wave and an exotic p + ip-wave that are possible because of the special structure of the honeycomb lattice. The consequences for the possible presence of Majorana edge states in carbon nanotubes are addressed. In particular, regions in the magnetic field-chemical potential plane possibly hosting localized Majorana modes are discussed.

Gd5(SixGe1−x)4 system – updated phase diagram

International Nuclear Information System (INIS)

Melikhov, Yevgen; Hadimani, R.L.; Raghunathan, Arun

2015-01-01

Gd 5 (Si x Ge 1−x ) 4 for 0.41phase transition between the two. In this range, the magnetic moment vs. magnetic field (MH) isotherms measured just above the first order transition temperature carry information about all magnetic and structural transitions. Here, the Curie–Weiss law was applied to the paramagnetic portions of the MH isotherms which allowed identification of the second order magnetic phase transition temperature of the monoclinic phase, a region where the second order transition does not occur due to the existence of the first order transition. The calculated second order phase transition temperatures of the monoclinic phase were added to the existing phase diagram. The completed magnetic-structural phase diagram carries now all the information including the magnetic transition temperatures of both monoclinic and orthorhombic phases. It was also found that the magnetic transition temperature of the monoclinic phase and the first order transition temperature are interrelated. - Highlights: • Magnetocaloric Gd 5 (Si x Ge 1−x ) 4 for 0.41phase transition suppresses second order transition of monoclinic phase. • Curie–Weiss law and Arrott Plot technique were used to analyse M vs. H isotherms. • Second order phase transition temperatures of the monoclinic phase were estimated. • Magnetic-structural phase diagram Gd 5 (Si x Ge 1−x ) 4 for 0.41

Microstructure and mechanical properties of an Al–Mg alloy solidified under high pressures

International Nuclear Information System (INIS)

Jie, J.C.; Zou, C.M.; Brosh, E.; Wang, H.W.; Wei, Z.J.; Li, T.J.

2013-01-01

Highlights: •Al–42.2Mg alloy was solidified under pressures of 1, 2, and 3 GPa and the microstructure analyzed. •A thermodynamic calculation of the Al–Mg phase diagram at high pressures was performed. •The phase content changes from predominantly γ-Al 12 Mg 17 at 1 GPa to FCC solid solution at 3 GPa. •The β-Al 3 Mg 2 is predicted to remain stable at low temperatures but is not observed. •The alloy solidified at high pressure has remarkably enhanced ultimate tensile strength. -- Abstract: Phase formation, the microstructure and its evolution, and the mechanical properties of an Al–42.2 at.% Mg alloy solidified under high pressures were investigated. After solidification at pressures of 1 GPa and 2 GPa, the main phase is the γ phase, richer in Al than in equilibrium condition. When the pressure is further increased to 3 GPa, the main phase is the supersaturated Al(Mg) solid solution with Mg solubility up to 41.6 at.%. Unlike in similar alloys solidified at ambient pressure, the β phase does not appear. Calculated high-pressure phase diagrams of the Al–Mg system show that although the stability range of the β phase is diminished with pressure, it is still thermodynamically stable at room temperature. Hence, the disappearance of the β phase is interpreted as kinetic suppression, due to the slow diffusion rate at high pressures, which inhibits solid–solid reactions. The Al–42.2 at.% Mg alloy solidified under 3 GPa has remarkably enhanced ultimate tensile strength compared to the alloy solidified under normal atmospheric pressure

Microstructural characterization of as-cast hf-b alloys

Directory of Open Access Journals (Sweden)

João Carlos Jânio Gigolotti

2012-04-01

Full Text Available An accurate knowledge of several metal-boron phase diagrams is important to evaluation of higher order systems such as metal-silicon-boron ternaries. The refinement and reassessment of phase diagram data is a continuous work, thus the reevaluation of metal-boron systems provides the possibility to confirm previous data from an investigation using higher purity materials and better analytical techniques. This work presents results of rigorous microstructural characterization of as-cast hafnium-boron alloys which are significant to assess the liquid composition associated to most of the invariant reactions of this system. Alloys were prepared by arc melting high purity hafnium (minimum 99.8% and boron (minimum 99.5% slices under argon atmosphere in water-cooled copper crucible with non consumable tungsten electrode and titanium getter. The phases were identified by scanning electron microscopy, using back-scattered electron image mode and X-ray diffraction. In general, a good agreement was found between our data and those from the currently accepted Hafnium-Boron phase diagram. The phases identified are αHfSS and B-RhomSS, the intermediate compounds HfB and HfB2 and the liquide L. The reactions are the eutectic L ⇔ αHfSS + HfB and L ⇔ HfB2 + B-Rhom, the peritectic L + HfB2 ⇔ HfB and the congruent formation of HfB2.

The equilibrium diagram and some properties of alloys Gd5Sb3-Tb5Sb3 system

International Nuclear Information System (INIS)

Azizov, Yu.S.; Abulkhaev, V.D.; Ganiev, I.N.

2001-01-01

The purpose of present work is investigation equilibrium diagram of Gd 5 Sb 3 -Tb 5 Sb 3 system in total range of concentrations. Equilibrium diagram of Gd 5 Sb 3 -Tb 5 Sb 3 system investigated by methods of difference-thermal, roentgen-phase and metallographic analyses. For the first time on the base of difference-thermal, roentgen-phase and metallographic analyses was formed the equilibrium diagram of Gd 5 Sb 3 -Tb 5 Sb 3 system. Was determined the cristal-chemical parameters of solid solutions with general formula Gd x Tb 5 - x Sb 3

Precipitation of the sigma-phase in Mo-Re alloys

International Nuclear Information System (INIS)

Freze, N.I.; Levitskij, A.D.; Tyumentsev, A.N.; Korotaev, A.D.

1975-01-01

Disintegration processes in thin foils and replicas of alloys Mo+(52 - 56) wpc Re and Mo+(52 - 56)% Re+(0.05 - 0.10)% Fe wpc were studied by electronic microscopy. Alloying with iron was conducted to determine the effect of iron atom segregations at the grain boundaries on separation of the sigma-phase in these regions. Since the nature of disintegration in all alloys was identical, the experimental data were considered on the example of alloy Mo + 54 wpc Re. The laminated specimens of 1 - 2 mm in thickness subjected to cold rolling with subsequent tempering at T = 1100 deg C for 15 min were characterized by intensive disintegration. As a result finelydispersed laminated sigma-phase uniformly distributed throughout the entire volume of the material was formed. The non-deformed specimens did not show separation of the sigma-phase. As a result of separation of the finely-dispersed sigma-phase plasticity of the alloys was increased. So that a foil of Δh = 0.2 mm in thickness can be produced by cold rolling of the laminated specimens without intermediate annealing. By changing the initial state of the specimens and temperature of annealing dispersity and spatial distribution of the sigma-phase may be substantially modified. It provides for considerably increasing plasticity of the two-phase alloys. During separation of the sigma-phase hardness of the deformed specimens becomes greater. Therefore the low-temperature disintegration accompanied by separation of the sigma-phase may be employed for disperse strengthening of the Mo-Re alloys. The refractory properties of such alloye will not be high, since it is coagulated the finely-dispersed segregations of the sigma-phase even at T > 1100 deg C

Study of phase transformations in Fe-Mn-Cr Alloys

International Nuclear Information System (INIS)

Schule, W.; Panzarasa, A.; Lang, E.

1988-01-01

Nickel free alloys for fusion reactor applications are examined. Phase changes in fifteen, mainly austenitic iron-manganese-chromium-alloys of different compositions were investigated in the temperature range between -196 0 C and 1000 0 C after different thermo-mechanical treatments. A range of different physical measuring techniques was employed to investigate the structural changes occurring during heating and cooling and after cold-work: electrical resistivity techniques, differential thermal analysis, magnetic response, Vickers hardness and XRD measurement. The phase boundary between the α Fe-phase and the γ-phase of the iron manganese alloy is approximately maintained if chromium is added to the two component materials. Consequently all the alloy materials for contents of manganese smaller than about 30% Mn are not stable below 500 0 C. This concerns also the AMCR alloys. However the α Fe-phase is not formed during slow cooling from 1000 0 C to ambient temperature and is only obtained if nucleation sites are provided and after very long anneals. A cubic α Mn-type-phase is found for alloys with 18% Cr and 15% Mn, with 13% Cr and 25% Mn, with 10% Cr and 30% Mn, and with 10% Cr and 40% Mn. For these reasons the γ-phase field of the iron-chromium-manganese alloys is very small below 600 0 C and much narrower than reported in the literature. 95 figs. 22 refs

Phase diagrams and heterogeneous equilibria a practical introduction

CERN Document Server

Predel, Bruno; Pool, Monte

2004-01-01

This graduate-level textbook provides an introduction to the practical application of phase diagrams. It is intended for students and researchers in chemistry, metallurgy, mineralogy, and materials science as well as in engineering and physics. Heterogeneous equilibria are described by a minimum of theory illustrated by practical examples and realistic case discussions from the different fields of application. The treatment of the physical and energetic background of phase equilibria leads to the discussion of the thermodynamics of mixtures and the correlation between energetics and composition. Thus, tools for the prediction of energetic, structural, and physical quantities are provided. The authors treat the nucleation of phase transitions, the production and stability of technologically important metastable phases, and metallic glasses. Furthermore, the text also concisely presents the thermodynamics and composition of polymer systems.

Microstructure evolution and texture development in thermomechanically processed Mg-Li-Al based alloys

Energy Technology Data Exchange (ETDEWEB)

Kumar, Vinod [Department of Materials Science and Engineering, IIT Kanpur (India); Govind [Vikram Sarabhai Space Center, Trivandrum (India); Shekhar, Rajiv; Balasubramaniam, R. [Department of Materials Science and Engineering, IIT Kanpur (India); Balani, Kantesh, E-mail: kbalani@iitk.ac.in [Department of Materials Science and Engineering, IIT Kanpur (India)

2012-06-15

Highlights: Black-Right-Pointing-Pointer Thermomechanical processing of novel LAT 971 and LATZ 9531 Mg-Al-Li based alloys. Black-Right-Pointing-Pointer Microstructural deviation from the equilibrium phase diagram. Black-Right-Pointing-Pointer Disparity in texture of these alloys after hot-rolling (recrystallization and grain growth). Black-Right-Pointing-Pointer Role of alloying and phase distribution in affecting the texture/interplaner spacing. - Abstract: In the present study, the influence of alloying and thermomechanical processing on the microstructure and texture evolution on the two Mg-Li-Al based alloys, namely Mg-9 wt% Li-7 wt% Al-1 wt% Sn (LAT971) and Mg-9 wt% Li-5 wt% Al-3 wt% Sn-1 wt% Zn (LATZ9531) has been elicited. Novel Mg-Li-Al based alloys were cast (induction melting under protective atmosphere) followed by hot rolling at {approx}573 K with a cumulative reduction of five. A contrary dual phase dendritic microstructure rich in {alpha}-Mg, instead of {beta}-Li phase predicted by equilibrium phase diagram of Mg-Li binary alloy was observed. Preferential presence of Mg-Li-Sn primary precipitates (size 4-10 {mu}m) within {alpha}-Mg phase and Mg-Li-Al secondary precipitates (<3 {mu}m) interspersed in {beta}-Li indicated their degree of dissolution during hot-rolling and homogenization in the dual phase matrix. Presence of Al, Sn and Zn alloying elements in the Mg-Li based alloy has resulted an unusual dual-phase microstructure, change in the lattice parameter, and intriguing texture evolution after hot-rolling of cast LAT 971 and LATZ9531 alloy. Strong texture was absent in the as-cast samples whereas texture development after hot-rolling revealed an increased activity of the non-basal (101{sup Macron }0) slip planes. The quantification of the grain average misorientation (less than 2 Degree-Sign ) using electron backscattered diffraction confirmed the presence of strain free grains in majority of the grains (fraction >0.75) after hot-rolling of Mg

Microstructures and phase transformations in interstitial alloys of tantalum

International Nuclear Information System (INIS)

Dahmen, U.

1979-01-01

The analysis of microstructures, phases, and possible ordering of interstitial solute atoms is fundamental to an understanding of the properties of metal-interstitial alloys in general. As evidenced by the controversies on phase transformations in the particular system tantalum--carbon, our understanding of this class of alloys is inferior to our knowledge of substitutional metal alloys. An experimental clarification of these controversies in tantalum was made. Using advanced techniques of electron microscopy and ultrahigh vacuum techology, an understanding of the microstructures and phase transformations in dilute interstitial tantalum--carbon alloys is developed. Through a number of control experiments, the role and sources of interstitial contamination in the alloy preparation (and under operating conditions) are revealed. It is demonstrated that all previously published work on the dilute interstitially ordered phase Ta 64 C can be explained consistently in terms of ordering of the interstitial contaminants oxygen and hydrogen, leading to the formation of the phases Ta 12 O and Ta 2 H

Phase diagram of a modified Lennard-Jones system

International Nuclear Information System (INIS)

Sakagami, Takahiro; Fuchizaki, Kazuhiro

2010-01-01

The well-known Lennard-Jones potential is modified in such a way that it smoothly vanishes at a certain distance. A system whose interparticle interaction is given by such a potential is referred to as a modified Lennard-Jones system, and is served as a standard system describing simple solids and fluids. A phase diagram is determined based on the free energies obtained through thermodynamic integration.

Thermodynamics and phase diagrams of the plutonium-uranium, uranium-zirconium, plutonium-zirconium and plutonium-uranium-zirconium systems

International Nuclear Information System (INIS)

Agarwal, R.; Venugopal, V.

2004-05-01

Thermodynamic and phase diagram data reported in literature for the binaries, Pu-U, Pu-Zr and U-Zr , were compiled and optimised to calculate Gibbs energies of all the binary phases of these systems. Lukas program was used to carry out these optimisations, where, thermodynamic and phase diagram data of all the binary phases of a binary system were optimised simultaneously. Gibbs energy sets thus calculated were used to compare our results with the experimental and calculated phase diagram and thermodynamic data reponed in the literature. The Gibbs energies of the binary systems were then compiled together to define Pu-U-Zr ternary system. (author)

Magnetic phase diagram of a frustrated spin ladder

Science.gov (United States)

Sugimoto, Takanori; Mori, Michiyasu; Tohyama, Takami; Maekawa, Sadamichi

2018-04-01

Frustrated spin ladders show magnetization plateaux depending on the rung-exchange interaction and frustration defined by the ratio of first and second neighbor exchange interactions in each chain. This paper reports on its magnetic phase diagram. Using the variational matrix-product state method, we accurately determine phase boundaries. Several kinds of magnetization plateaux are induced by the frustration and the strong correlation among quasiparticles on a lattice. The appropriate description of quasiparticles and their relevant interactions are changed by a magnetic field. We find that the frustration differentiates the triplet quasiparticle from the singlet one in kinetic energy.

Thermodynamic analysis of as-cast and heat-treated microstructures of Mg-Ce-Nd alloys

International Nuclear Information System (INIS)

Groebner, Joachim; Kozlov, Artem; Schmid-Fetzer, Rainer; Easton, Mark A.; Zhu Suming; Gibson, Mark A.; Nie, Jian-Feng

2011-01-01

Alloys based on Mg-rare earth (RE) systems are of increasing technical interest in automotive powertrain applications due to their superior elevated temperature creep resistance. However, there is a deficiency in the literature of phase diagrams of multi-component RE systems that could assist alloy development and composition refinement for enhanced property optimization. The phase relationships in the Mg-rich corner of the Mg-Ce-Nd system have been investigated through the evaluation of selected compositions in the as-cast and heat-treated condition. Consistent thermodynamic CALPHAD-type assessments have also been generated for the Mg-Ce-Nd system. It is shown that this system reveals a significant degree of metastability under technologically significant solidification conditions (i.e. permanent-mould or high-pressure die casting). This is simulated in thermodynamic calculations by suppression of the RE 5 Mg 41 phase and reasonable agreement is found with the as-cast microstructures. After heat treatment these microstructures transform, depending on the alloy composition, into phase assemblies consistent with the calculated stable equilibrium phase diagram. It is the elucidation of such metastable phase formation and the subsequent transformation from the as-cast to the heat-treated state that is a particular strength of the thermodynamic approach and which makes it a powerful tool for alloy development.

Thermodynamic analysis of as-cast and heat-treated microstructures of Mg-Ce-Nd alloys

Energy Technology Data Exchange (ETDEWEB)

Groebner, Joachim; Kozlov, Artem [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, Rainer, E-mail: schmid-fetzer@tu-clausthal.de [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Easton, Mark A.; Zhu Suming [CAST CRC, Department of Materials Engineering, Monash University, Victoria 3800 (Australia); Gibson, Mark A. [CAST CRC, CSIRO Process Science and Engineering, Clayton, Victoria 3169 (Australia); Nie, Jian-Feng [CAST CRC, Department of Materials Engineering, Monash University, Victoria 3800 (Australia)

2011-01-15

Alloys based on Mg-rare earth (RE) systems are of increasing technical interest in automotive powertrain applications due to their superior elevated temperature creep resistance. However, there is a deficiency in the literature of phase diagrams of multi-component RE systems that could assist alloy development and composition refinement for enhanced property optimization. The phase relationships in the Mg-rich corner of the Mg-Ce-Nd system have been investigated through the evaluation of selected compositions in the as-cast and heat-treated condition. Consistent thermodynamic CALPHAD-type assessments have also been generated for the Mg-Ce-Nd system. It is shown that this system reveals a significant degree of metastability under technologically significant solidification conditions (i.e. permanent-mould or high-pressure die casting). This is simulated in thermodynamic calculations by suppression of the RE{sub 5}Mg{sub 41} phase and reasonable agreement is found with the as-cast microstructures. After heat treatment these microstructures transform, depending on the alloy composition, into phase assemblies consistent with the calculated stable equilibrium phase diagram. It is the elucidation of such metastable phase formation and the subsequent transformation from the as-cast to the heat-treated state that is a particular strength of the thermodynamic approach and which makes it a powerful tool for alloy development.

Organic alloy systems suitable for the investigation of regular binary and ternary eutectic growth

Science.gov (United States)

Sturz, L.; Witusiewicz, V. T.; Hecht, U.; Rex, S.

2004-09-01

Transparent organic alloys showing a plastic crystal phase were investigated experimentally using differential scanning calorimetry and directional solidification with respect to find a suitable model system for regular ternary eutectic growth. The temperature, enthalpy and entropy of phase transitions have been determined for a number of pure substances. A distinction of substances with and without plastic crystal phases was made from their entropy of melting. Binary phase diagrams were determined for selected plastic crystal alloys with the aim to identify eutectic reactions. Examples for lamellar and rod-like eutectic solidification microstructures in binary systems are given. The system (D)Camphor-Neopentylglycol-Succinonitrile is identified as a system that exhibits, among others, univariant and a nonvariant eutectic reaction. The ternary eutectic alloy close to the nonvariant eutectic composition solidifies with a partially faceted solid-liquid interface. However, by adding a small amount of Amino-Methyl-Propanediol (AMPD), the temperature of the nonvariant eutectic reaction and of the solid state transformation from plastic to crystalline state are shifted such, that regular eutectic growth with three distinct nonfaceted phases is observed in univariant eutectic reaction for the first time. The ternary phase diagram and examples for eutectic microstructures in the ternary and the quaternary eutectic alloy are given.

Phase diagrams for systems Cu2S-AIIS (AII=Mg, Ca, Sr, Ba)

International Nuclear Information System (INIS)

Andreev, O.V.; Sikerina, N.V.; Solov'eva, A.V.

2005-01-01

By the methods of physicochemical analysis phase diagrams of Cu 2 S-A II S (A II =Mg, Ca, Sr, Ba) systems are studied. The system Cu 2 S-SrS is of eutectic type with eutectic coordinates 1095 K and 21.5 mol.% of SrS. Solubility of SrS in Cu 2 S is 2 mol.% at 1095 K. Regularities of phase diagram changes of Cu 2 S-A II S (A II =Mg, Ca, Sr, Ba) system are determined. Thermodynamic analysis is done [ru

Investigation of phase diagrams for cylindrical Ising nanotube using cellular automata

Science.gov (United States)

Astaraki, M.; Ghaemi, M.; Afzali, K.

2018-05-01

Recent developments in the field of applied nanoscience and nanotechnology have heightened the need for categorizing various characteristics of nanostructures. In this regard, this paper establishes a novel method to investigate magnetic properties (phase diagram and spontaneous magnetization) of a cylindrical Ising nanotube. Using a two-layer Ising model and the core-shell concept, the interactions within nanotube has been modelled. In the model, both ferromagnetic and antiferromagnetic cases have been considered. Furthermore, the effect of nanotube's length on the critical temperature is investigated. The model has been simulated using cellular automata approach and phase diagrams were constructed for different values of inter- and intra-layer couplings. For the antiferromagnetic case, the possibility of existence of compensation point is observed.

P-T phase diagram of a holographic s+p model from Gauss-Bonnet gravity

International Nuclear Information System (INIS)

Nie, Zhang-Yu; Zeng, Hui

2015-01-01

In this paper, we study the holographic s+p model in 5-dimensional bulk gravity with the Gauss-Bonnet term. We work in the probe limit and give the Δ-T phase diagrams at three different values of the Gauss-Bonnet coefficient to show the effect of the Gauss-Bonnet term. We also construct the P-T phase diagrams for the holographic system using two different definitions of the pressure and compare the results.

Refining U-Zr-Nb alloys by remelting

Energy Technology Data Exchange (ETDEWEB)

Aguiar, B.M.; Kniess, C.T.; Riella, H.G., E-mail: bmaguiar@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Ferraz, W.B. [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

2011-07-01

The high density U-Zr-Nb and U-Nb uranium-based alloys can be employed as nuclear fuel in a PWR reactor due to their high density and nuclear properties. These alloys can stabilize the gamma phase, however, according to TTT diagrams, at the working temperature of a PWR reactor, all gamma phase transforms to {alpha}'' phase in a few hours. To avoid this kind of transformation during the nuclear reactor operation, the U-Zr-Nb alloy and U-Nn are used in {alpha}'' phase. The stability of {alpha}'' phase depends on the alloy composition and cooling rate. The alloy homogenization has to be very effective to eliminate precipitates rich in Zr and Nb to avoid changes in the alloying elements contents in the matrix. The homogenization was obtained by remelting the alloy and keeping it in the liquid state for enough time to promote floating of the precipitates (usually carbides, less dense) and leaving the matrix free of precipitates. However, this floating by density difference may result in segregation between the alloying elements (Nb and Zr, at the top) and uranium (at the bottom). The homogenized alloys were characterized in terms of metallographic techniques, optical microscopy, scanning electronic microscopy, EDS and X-ray diffraction. In this paper, it is shown that the contents of Zr and Nb at the bottom and at the top of the matrix are constant. (author)

Phase diagram of a QED-cavity array coupled via a N-type level scheme

Energy Technology Data Exchange (ETDEWEB)

Jin, Jiasen; Rossini, Davide [CNR, NEST, Scuola Normale Superiore and Istituto di Nanoscienze, Pisa (Italy); Fazio, Rosario [CNR, NEST, Scuola Normale Superiore and Istituto di Nanoscienze, Pisa (Italy); National University of Singapore, Center for Quantum Technologies, Singapore (Singapore)

2015-01-01

We study the zero-temperature phase diagram of a one-dimensional array of QED cavities where, besides the single-photon hopping, an additional coupling between neighboring cavities is mediated by an N-type four-level system. By varying the relative strength of the various couplings, the array is shown to exhibit a variety of quantum phases including a polaritonic Mott insulator, a density-wave and a superfluid phase. Our results have been obtained by means of numerical density-matrix renormalization group calculations. The phase diagram was obtained by analyzing the energy gaps for the polaritons, as well as through a study of two-point correlation functions. (orig.)

Calculation of superalloy phase diagrams. IV

International Nuclear Information System (INIS)

Kaufman, L.; Nesor, H.

1975-01-01

Explicit descriptions of the Fe--Mo, Fe--W, Fe--Nb, W--Cr and Ti--W binary systems have been developed in line with lattice stability, thermochemical and phase diagram data. These descriptions, along with similar results derived previously, have been employed to calculate isothermal sections in the Cr--Al--Fe, Fe--Mo--Cr, Fe--W--Cr, Ni--Al--Co, Nb--Ti--W, Ti--W--Mo, Cr--W--Mo, Ni--Mo--W, and Ni--W--Ti systems for comparison with experimental results. The effects of carbon impurities on miscibility gap formation in the Ti--W, Nb--Ti--W, Ti--W--Mo and Cr--W--Mo systems are discussed

Description of hypo eutectic Al-Si-Cu alloys based on their known chemical compositions

International Nuclear Information System (INIS)

Djurdjevic, M. B.; Vicario, I.

2013-01-01

The modeling of casting processes has remained a topic of active interest for several decades, and the availability of numerous software packages on the market is a good indication of the interest that the casting industry has in this field. Most of the data used in these software packages are directly read or estimated from the binary or multi-component phase diagrams. Unfortunately, except for binary diagrams, many of ternary or higher order phase diagrams are still not accurate enough. Having in mind that most of the aluminum binary systems are very well established, it has been tried to transfer multi-component system into one well known Al-Xi pseudo binary system (in this case the Al-Si phase diagram was chosen as a reference system). The new Silicon Equivalency (SiEQ) algorithm expresses the amounts of major and minor alloying elements in the aluminum melts through an equivalent amount of silicon. Such a system could be used to calculate several thermo-physical and solidification characteristics of multi component as cast aluminum alloys. This provides to the model the capacity to predict the solidification characteristics of cast parts, where cooling rates are slow and the solidification process has to be known in great detail in order to avoid quality problems in the casting. This work demonstrates how the SiEQ algorithm can be used to calculate the characteristic solidification temperatures of the multicomponent Al-Si alloys as well as their latent heats and growth restriction factor. Statistical analysis of the results obtained for a wide range of alloy chemical compositions shows a very good correlation with the experimental data and the SiEQ calculations. The same mathematical approach might be applied for other metallic systems such as iron and magnesium, using carbon equivalency for ferrous systems and aluminum equivalency for magnesium multi-component alloys. (Author)

Collapsing cycloidal structures in the magnetic phase diagram of erbium

DEFF Research Database (Denmark)

Jehan, D.A.; McMorrow, D.F.; Simpson, J.A.

1994-01-01

The magnetic structure of Er with a magnetic field applied in the hexagonal basal plane has been studied using a combination of experimental techniques and mean-field modeling. From neutron-scattering and magnetization measurements, phase diagrams are constructed. At temperatures above...... approximately 20 K, the application of a field is found to favor cycloidal structures with modulation wave vectors of q(c) = (6/23)c*, (4/15)c*, and (2/7)c*. For fields above almost-equal-to 40 kOe, the (2/7) structure dominates the phase diagram. From a detailed study of this most stable cycloid, we determine...... how it distorts as the field is increased. In low fields, there is a spin reorientation, so that the plane of the cycloid becomes perpendicular to the applied field, while in larger fields, the cycloid collapses through a series of fanlike structures. At lower temperatures, as the field is increased...

Contribution towards the study of β→α transformation in uranium and its alloys (1962)

International Nuclear Information System (INIS)

Aubert, H.

1962-05-01

The kinetics of the transformation of uranium alloys containing 0.5 - 0.75 - 1.0 - 1.5 and 3 atoms per cent have been studied. The influence of heat treatment before decomposition has been discussed. The study of the transformation characteristics such as kinetics, residual phases, phenomena connected with the coherence between phases, reversibility below the equilibrium temperature, shows the following mechanisms exhibited during the decomposition of the β phase on lowering the temperature: 1 ) eutectoid, 2) bainitic, 3) martensitic. The study of the TTT diagrams of alloys containing decreasing percentages of chromium indicates that the unalloyed uranium transforms without maintaining the coherence above 600 deg. C, where as at lower temperatures the transformation is mainly martensitic. The various alloying elements can be characterised by their influence on the three TTT curves corresponding to the three possible transformation mechanisms. The ability of the uranium alloys to alpha grain refining during isothermal decomposition or ambient temperature quenching is directly connected with the characteristics of the TTT diagrams and especially to the mode of bainitic transformation. (author) [fr

Formation of ω-phase in Zr-4 at.% Cr alloy

International Nuclear Information System (INIS)

Dobromyslov, A.V.; Kazantseva, N.V.

1996-01-01

The ω-phase has been discovered in zirconium-base alloys with the transition metals of Period 4 of the Periodic Table only in Zr-V, Zr-Cr, and Zr-Cu alloys. The first mention about the ω-phase formation in Zr-Cr alloys was given for Zr-4.5 at.%. However, there were no experimental data that confirmed this fact. W.M. Rumball and F.G. Elder presented the X-ray results on the ω-phase formation in Zr-3.9 at.%Cr, but at the present time there are no electron microscope studies of the structure of the ω-phase in this system. Investigations of the features of the ω-phase formation, morphology of the ω-phase and the mechanism of its formation in the different zirconium-base alloys are necessary to establish the common features of the formation of structures with the metastable phases. The task of the present work is to study the conditions and features of the ω-phase formation in the Zr-Cr alloys and the effect of the eutectoid decomposition on the formation of ω-phase. This article is part of the detailed investigations of the feature and condition of the ω-phase formation in zirconium-base alloys with the transition metals of the groups I and V to VIII of the Periodic Table

Microstructure and mechanical properties of Mg-Zn-Y alloy containing LPSO phase and I-phase

Science.gov (United States)

Ye, Zhijian; Teng, Xinying; Lou, Gui; Zhou, Guorong; Leng, Jinfeng

2017-08-01

Microstructure and mechanical properties of Mg-Zn-Y alloy including LPSO phase and I-phase was investigated. Transmission electron microscopy, x-ray diffraction analysis and differential scanning calorimeter analysis reveal that the LPSO (long period stacking ordered structure) phase and I-phase can co-exist within the α-Mg matrix. Wherein, the quasicrystal phases exist in the (I-phase  +  α-Mg) eutectic structures. In the Mg-Zn-Y alloy, it is also found that 14 H type LPSO phases consist of LPSO phase and I-phase. With the addition of quasicrystal master alloy content, the microstructures are refined, and the mechanical properties are enhanced.

Ground state phase diagram of extended attractive Hubbard model

International Nuclear Information System (INIS)

Robaszkiewicz, S.; Chao, K.A.; Micnas, R.

1980-08-01

The ground state phase diagram of the extended Hubbard model with intraatomic attraction has been derived in the Hartree-Fock approximation formulated in terms of the Bogoliubov variational approach. For a given value of electron density, the nature of the ordered ground state depends essentially on the sign and the strength of the nearest neighbor coupling. (author)

Automated discovery and construction of surface phase diagrams using machine learning

International Nuclear Information System (INIS)

Ulissi, Zachary W.; Singh, Aayush R.; Tsai, Charlie

2016-01-01

Surface phase diagrams are necessary for understanding surface chemistry in electrochemical catalysis, where a range of adsorbates and coverages exist at varying applied potentials. These diagrams are typically constructed using intuition, which risks missing complex coverages and configurations at potentials of interest. More accurate cluster expansion methods are often difficult to implement quickly for new surfaces. We adopt a machine learning approach to rectify both issues. Using a Gaussian process regression model, the free energy of all possible adsorbate coverages for surfaces is predicted for a finite number of adsorption sites. Our result demonstrates a rational, simple, and systematic approach for generating accurate free-energy diagrams with reduced computational resources. Finally, the Pourbaix diagram for the IrO_2(110) surface (with nine coverages from fully hydrogenated to fully oxygenated surfaces) is reconstructed using just 20 electronic structure relaxations, compared to approximately 90 using typical search methods. Similar efficiency is demonstrated for the MoS_2 surface.

Time Temperature-Precipitation Behavior in An Al-Cu-Li Alloy 2195

Science.gov (United States)

Chen, P. S.; Bhat, B. N.

1999-01-01

Al-Cu-Li alloy 2195, with its combination of good cryogenic properties, low density, and high modulus, has been selected by NASA to be the main structural alloy of the Super Light Weight Tank (SLWT) for the Space Shuttle. Alloy 2195 is strengthened by an aging treatment that precipitates a particular precipitate, labeled as T1(Al2CuLi). Other phases, such as GP zone, (theta)', (theta)", theta, (delta)', S' are also present in this alloy when artificially aged. Cryogenic strength and fracture toughness are critical to the -SLWT application, since the SLWT will house liquid oxygen and hydrogen. Motivation for the Time-Temperature-Precipitation (TTP) study at lower temperature (lower than 350 F) comes in part from a recent study by Chen, The study found that the cryogenic fracture toughness of alloy 2195 is greatly influenced by the phases present in the matrix and subgrain boundaries. Therefore, the understanding of TTP behavior can help develop a guideline to select appropriate heat treatment conditions for the desirable applications. The study of TTP behavior at higher temperature (400 to 1000 F) was prompted by the fact that the SLWT requires a welded construction. Heat conduction from the weld pool affects the microstructure in the heat-affected zone (HAZ), which leads to changes in the mechanical properties. Furthermore, the SLWT may need repair welding for more than one time and any additional thermal cycles will increase precipitate instability and promote phase transformation. As a result considerable changes in HAZ microstructure and mechanical properties are expected during the construction of the SLWT. Therefore, the TTP diagrams can serve to understand the thermal history of the alloy by analyzing the welded microstructure. In the case welding, the effects of thermal cycles on the microstructure and mechanical properties can be predicted with the aid of the TTP diagrams. The 2195 alloy (nominally Al + 4 pct Cu + 1 pct Li + 0.3 pct Ag + 0.3 pct Mg + 0

A general analytical equation for phase diagrams of an N-layer ferroelectric thin film with two surface layers

Energy Technology Data Exchange (ETDEWEB)

Lu, Z X; Teng, B H; Rong, Y H; Lu, X H; Yang, X [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China)], E-mail: phytbh@163.com

2010-03-15

Within the framework of effective-field theory with correlations, the phase diagrams of an N-layer ferroelectric thin film with two surface layers are studied by the differential operator technique based on the spin-1/2 transverse Ising model. A general analytical equation for the phase diagram of a ferroelectric thin film with arbitrary layer number as well as exchange interactions and transverse fields is derived, and then the effects of exchange interactions and transverse fields on phase diagrams are discussed for an arbitrary layer number N. Meanwhile, the crossover features, from the ferroelectric-dominant phase diagram (FPD) to the paraelectric-dominant phase diagram (PPD), for various parameters of an N-layer ferroelectric thin film with two surface layers are investigated. As a result, an N-independent common intersection point equation is obtained, and the three-dimensional curved surfaces for the crossover values are constructed. In comparison with the usual mean-field approximation, the differential operator technique with correlations reduces to some extent the ferroelectric features of a ferroelectric thin film.

The phase diagram of scalar field theory on the fuzzy disc

Energy Technology Data Exchange (ETDEWEB)

Rea, Simone; Sämann, Christian [Maxwell Institute for Mathematical Sciences, Department of Mathematics,Heriot-Watt University,Colin Maclaurin Building, Riccarton, Edinburgh EH14 4AS (United Kingdom)

2015-11-17

Using a recently developed bootstrapping method, we compute the phase diagram of scalar field theory on the fuzzy disc with quartic even potential. We find three distinct phases with second and third order phase transitions between them. In particular, we find that the second order phase transition happens approximately at a fixed ratio of the two coupling constants defining the potential. We compute this ratio analytically in the limit of large coupling constants. Our results qualitatively agree with previously obtained numerical results.

Dark energy in six nearby galaxy flows: Synthetic phase diagrams and self-similarity

Science.gov (United States)

Chernin, A. D.; Teerikorpi, P.; Dolgachev, V. P.; Kanter, A. A.; Domozhilova, L. M.; Valtonen, M. J.; Byrd, G. G.

2012-09-01

Outward flows of galaxies are observed around groups of galaxies on spatial scales of about 1 Mpc, and around galaxy clusters on scales of 10 Mpc. Using recent data from the Hubble Space Telescope (HST), we have constructed two synthetic velocity-distance phase diagrams: one for four flows on galaxy-group scales and the other for two flows on cluster scales. It has been shown that, in both cases, the antigravity produced by the cosmic dark-energy background is stronger than the gravity produced by the matter in the outflow volume. The antigravity accelerates the flows and introduces a phase attractor that is common to all scales, corresponding to a linear velocity-distance relation (the local Hubble law). As a result, the bundle of outflow trajectories mostly follow the trajectory of the attractor. A comparison of the two diagrams reveals the universal self-similar nature of the outflows: their gross phase structure in dimensionless variables is essentially independent of their physical spatial scales, which differ by approximately a factor of 10 in the two diagrams.

Phase diagrams of ferroelectric nanocrystals strained by an elastic matrix

Science.gov (United States)

Nikitchenko, A. I.; Azovtsev, A. V.; Pertsev, N. A.

2018-01-01

Ferroelectric crystallites embedded into a dielectric matrix experience temperature-dependent elastic strains caused by differences in the thermal expansion of the crystallites and the matrix. Owing to the electrostriction, these lattice strains may affect polarization states of ferroelectric inclusions significantly, making them different from those of a stress-free bulk crystal. Here, using a nonlinear thermodynamic theory, we study the mechanical effect of elastic matrix on the phase states of embedded single-domain ferroelectric nanocrystals. Their equilibrium polarization states are determined by minimizing a special thermodynamic potential that describes the energetics of an ellipsoidal ferroelectric inclusion surrounded by a linear elastic medium. To demonstrate the stability ranges of such states for a given material combination, we construct a phase diagram, where the inclusion’s shape anisotropy and temperature are used as two parameters. The ‘shape-temperature’ phase diagrams are calculated numerically for PbTiO3 and BaTiO3 nanocrystals embedded into representative dielectric matrices generating tensile (silica glass) or compressive (potassium silicate glass) thermal stresses inside ferroelectric inclusions. The developed phase maps demonstrate that the joint effect of thermal stresses and matrix-induced elastic clamping of ferroelectric inclusions gives rise to several important features in the polarization behavior of PbTiO3 and BaTiO3 nanocrystals. In particular, the Curie temperature displays a nonmonotonic variation with the ellipsoid’s aspect ratio, being minimal for spherical inclusions. Furthermore, the diagrams show that the polarization orientation with respect to the ellipsoid’s symmetry axis is controlled by the shape anisotropy and the sign of thermal stresses. Under certain conditions, the mechanical inclusion-matrix interaction qualitatively alters the evolution of ferroelectric states on cooling, inducing a structural transition

Quantitative determination of the solidus line in the dilute limit of succinonitrile-camphor alloys

Science.gov (United States)

Mota, F. L.; Fabietti, L. M.; Bergeon, N.; Strutzenberg, L. L.; Karma, A.; Billia, B.; Trivedi, R.

2016-08-01

Different phase diagram measurements for succinonitrile-camphor alloys to date have yielded different values of the solute partition coefficient and the freezing range of the alloy. These parameters are critical to model solidification microstructure evolution. New measurements are made to precisely characterize the dilute limit of the succinonitrile-camphor phase diagram using thin-sample directional solidification experiments where convection is negligible, so that solute transport in the melt is purely diffusive, and the temperature gradient is constant in time. These results are confirmed through complementary measurements by differential scanning calorimetry and isothermal annealing. Possible measurement uncertainties in previously measured solidus lines are discussed. Experimental results were further confirmed using a boundary layer model of transient planar interface dynamics.

Phase decomposition and morphology characteristic in thermal aging Fe–Cr alloys under applied strain: A phase-field simulation

International Nuclear Information System (INIS)

Li Yongsheng; Zhu Hao; Zhang Lei; Cheng Xiaoling

2012-01-01

Highlights: ► Effects of variation mobility and applied strain on phase decomposition of Fe–Cr alloy were studied. ► Rate of phase decomposition rises as aging temperature and concentration increase. ► Phase transformation mechanism affects the volume fraction of equilibrium phase. ► Elongate morphology is intensified at higher aging temperature under applied strain. - Abstract: The phase decomposition and morphology evolution in thermal aging Fe–Cr alloys were investigated using the phase field method. In the simulation, the effects of atomic mobility, applied strain, alloy concentration and aging temperature were studied. The simulation results show that the rate of phase decomposition is influenced by the aging temperature and the alloy concentration, the equilibrium volume fractions (V f e ) of Cr-rich phase increases as aging temperature rises for the alloys of lower concentration, and the V f e decreases for the alloys with higher concentration. Under the applied strain, the orientation of Cr-rich phase is intensified as the aging temperature rises, and the stripe morphology is formed for the middle concentration alloys. The simulation results are helpful for understanding the phase decomposition in Fe–Cr alloys and the designing of duplex stainless steels working at high temperature.

Phase transformations in the titanium-niobium binary alloy system

International Nuclear Information System (INIS)

Moffat, D.L.

1985-01-01

A fundamental study of the phase transformations in the Ti-Nb binary alloy system was completed. Eight alloys in the range 20 to 70 at% Nb were investigated using transmission electron microscopy, light metallography, and x-ray diffraction. Measurements of electric resistivity and Vicker's microhardness also were performed. Emphasis was placed on the minimization of interstitial contamination in all steps of alloy fabrication and specimen preparation. In order to eliminate the effects of prior cold working, the alloys studied were recrystallized at 1000 0 C. Phase transformations were studied in alloys quenched to room temperature after recrystallization and then isothermally aged, and in those isothermally aged without a prior room temperature quench. It was found that the microstructures of the quenched 20 and 25% Nb alloys were extremely sensitive to quench rate - with a fast quench producing martensite, a slow quench, the omega phase. Microstructures of the higher niobium content alloys were much less sensitive to quench rate. The microstructures of the isothermally aged 20 and 25% Nb alloys were found to be sensitive to prior thermal history. Alloys quenched to room temperature and then aged at 400 0 C contained large omega precipitates, while those aged without an intermediate room temperature quench contained alpha precipitates

Magnetically induced crystal structure and phase stability in Fe1-cCoc

DEFF Research Database (Denmark)

Abrikosov, I.A.; James, P.; Eriksson, O.

1996-01-01

We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good agreement with the experimental phase...... diagram. We demonstrate that for the Pe-rich random alloys magnetism-stabilizes the bce phase relative to the close-packed fee and hcp phases. Magnetism also favors the partially ordered alpha' phase relative to the random bce alloy. This unique relation between magnetism and phase stability for the Fe...

Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

Energy Technology Data Exchange (ETDEWEB)

Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kocakaplan, Yusuf [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2013-12-15

Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior.

Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

International Nuclear Information System (INIS)

Ertaş, Mehmet; Kocakaplan, Yusuf; Keskin, Mustafa

2013-01-01

Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior

The melting-diffusion correlation in the plutonium-zirconium alloys

International Nuclear Information System (INIS)

Zanghi, J.-P.; Calais, Daniel.

1975-01-01

The activation volumes for self-diffusion of Pu in b.c.c. PuZr alloys (10 and 40at%Zr) have been determined, the validity of Nachtrieb's melting-diffusion correlation was checked. Indeed, in the Pu-40at%Zr alloy, which has a pressure temperature phase diagram whose liquidus has a positive slope, the activation volume is positive, whereas in pure epsilon Pu where the slope is negative, the activation volume is negative. A self-diffusion mechanism in PuZr alloys is proposed [fr

Reaction kinetics of oxygen on single-phase alloys, oxidation of nickel and niobium alloys

International Nuclear Information System (INIS)

Lalauze, Rene

1973-01-01

This research thesis first addresses the reaction kinetics of oxygen on alloys. It presents some generalities on heterogeneous reactions (conventional theory, theory of jumps), discusses the core reaction (with the influence of pressure), discusses the influence of metal self-diffusion on metal oxidation kinetics (equilibrium conditions at the interface, hybrid diffusion regime), reports the application of the hybrid diffusion model to the study of selective oxidation of alloys (Wagner model, hybrid diffusion model) and the study of the oxidation kinetics of an alloy forming a solid solution of two oxides. The second part reports the investigation of the oxidation of single phase nickel and niobium alloys (phase α, β and γ)

Low-temperature phase diagram of YbBiPt

International Nuclear Information System (INIS)

Movshovich, R.; Lacerda, A.; Canfield, P.C.; Thompson, J.D.; Fisk, Z.

1994-01-01

Resistivity measurements are reported on the cubic heavy-fermion compound YbBiPt at ambient and hydrostatic pressures to ∼19 kbar and in magnetic fields to 1 T. The phase transition at T c =0.4 K is identified by a sharp rise in resistivity. That feature is used to build low-temperature H-T and P-T phase diagrams. The phase boundary in the H-T plane follows the weak-coupling BCS expression remarkably well from T c to T c /4, while small hydrostatic pressure of ∼1 kbar suppresses the low-temperature phase entirely. These effects of hydrostatic pressure and magnetic field on the phase transition are consistent with an spin-density-wave (SDW) formation in a very heavy electron band at T=0.4 K. Outside of the SDW phase at low temperature, hydrostatic pressure increases the T 2 coefficient of resistivity, signaling an increase in heavy-fermion correlations with hydrostatic pressure. The residual resistivity decreases with pressure, contrary to trends in other Yb heavy-fermion compounds

E-T phase diagram of an antiferroelectric liquid crystal with re-entrand smectic C* phase

Czech Academy of Sciences Publication Activity Database

Na, Y.-H.; Naruse, Y.; Fukuda, N.; Orihara, H.; Fajar, A.; Hamplová, Věra; Kašpar, Miroslav; Glogarová, Milada

2008-01-01

Roč. 364, č. 1 (2008), s. 13-19 ISSN 0015-0193 Institutional research plan: CEZ:AV0Z10100520 Keywords : phase diagram * liquid crystals * dielectric measurements * electric field Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.562, year: 2008

A new paradigm for heat treatment of alloys

Energy Technology Data Exchange (ETDEWEB)

Ustinovshikov, Y., E-mail: ust@ftiudm.ru

2014-11-25

Highlights: • The sign of the ordering energy in alloys varies with the temperature. • Each temperature of heating leads to formation of its characteristic microstructure. • Quenching of alloys is a totally unnecessary and useless operation. - Abstract: The article considers the consequences in the field of heat treatment of alloys that could follow the introduction of the concept of phase transition ordering-phase separation into common use. By example of the Fe{sub 50}Cr{sub 50} alloy, industrial carbon tool steel and Ni{sub 88}Al{sub 12} alloy, it is shown that this transition occurs at a temperature, which is definite for each system, that the change of the sign of the chemical interaction between component atoms reverses the direction of diffusion fluxes in alloys, which affects changes in the type of microstructures. The discovery of this phase transition dramatically changes our understanding of the solid solution, changes the ideology of alloy heat treatment. It inevitably leads to the conclusion about the necessity of carrying out structural studies with the help of TEM in order to adjust the phase diagrams of the systems where this phase transition has been discovered. Conclusions have been made that quenching of alloys from the so-called region of the solid solution, which is usually performed before tempering (aging) is a completely unnecessary and useless operation, that the final structure of the alloy is formed during tempering (aging) no matter what the structure was before this heat treatment.

Green material composites from renewable resources: Polymorphic transitions and phase diagram of beeswax/rosin resin

Energy Technology Data Exchange (ETDEWEB)

Gaillard, Yves [Mines-ParisTech., CEMEF, UMR CNRS 7635, 1 rue Claude Daunesse 06904 Sophia Antipolis cedex (France); Mija, Alice [University of Nice-Sophia Antipolis, Thermokinetic Group, Laboratory of Chemistry of Organic and Metallic Materials C.M.O.M., 06108 Nice Cedex 2 (France); Burr, Alain; Darque-Ceretti, Evelyne; Felder, Eric [Mines-ParisTech., CEMEF, UMR CNRS 7635, 1 rue Claude Daunesse 06904 Sophia Antipolis cedex (France); Sbirrazzuoli, Nicolas, E-mail: sbirrazz@unice.fr [University of Nice-Sophia Antipolis, Thermokinetic Group, Laboratory of Chemistry of Organic and Metallic Materials C.M.O.M., 06108 Nice Cedex 2 (France)

2011-07-10

Highlights: {yields} Blends of Rosin and beeswax are studied by DSC, XRD, and optical microscopy. {yields} The first phase diagram beeswax/rosin is established. {yields} Polymorphic transitions are identified and appear to be highly related to rosin content. - Abstract: Rosin and beeswax are two complex natural materials presenting numerous applications in paints, adhesives, varnishes or inks. Melted, they are particularly interesting for their adhesion properties. This paper establishes the first phase diagram beeswax/rosin blends. A systematic approach using X-ray diffraction (XRD), differential scanning calorimetry (DSC) and polarised optical microscopy (POM) has been performed in order to describe the crystallographic structure and the thermal properties of two materials, beeswax and rosin, and their blends. Indeed, melting, softening and crystallisation temperatures, polymorphic transitions but also crystalline index has been investigated. The resulting phase diagram reveals a complex behaviour in terms of phase transformation and time-dependent phenomenon mainly representative of the complex composition of beeswax.

Interface-driven alloying and metallic glass formation in nano-multilayers in an immiscible Y-Nb system

International Nuclear Information System (INIS)

Chen, Y.G.; Liu, B.X.; Nanjing Univ.

1999-01-01

Several new amorphous alloys were obtained in an immiscible Y-Nb system by room temperature 190 keV xenon ion mixing of Y-Nb multilayered films, which were designed to include a sufficient fraction of interfacial atoms and thus possessed a high free energy comparable to that of the amorphous state. In addition, two metastable f.c.c. phases were formed in Y-rich and Nb-rich multilayered films, respectively. The growth kinetics of the f.c.c. phases and their effect on the composition range of amorphization are also discussed. To understand the observed unusual alloying behaviors, a Gibbs free-energy diagram was constructed based on Miedema's model. The diagram included the free-energy curves of all the involved phases as well as that of the Y-Nb multilayered films including the extra interfacial free energy and thus gave a qualitative and reasonable interpretation to the formation of metastable alloys upon ion mixing. Furthermore, some multilayered films with a sufficient fraction of interfacial atoms were subjected to steady-state thermal annealing, which also resulted in the formation of the Y-Nb amorphous phases, suggesting that alloying in this immiscible system was actually driven by the interfacial free energy

Thermodynamic Properties of Alloys of Iron and Silicon

International Nuclear Information System (INIS)

Vecher, R.A.; Gejderih, V.A.; Gerasimov, Ja.I.

1966-01-01

The Fe-Si phase diagram is complex. At 1000°K there are FeSi 2 (β) and FeSi phases and solid solutions of silicon in α and α' iron. EMF measurements were made on the electrochemical cells: Fe|Fe 2+ , KI + Nal|Fe-Si at 600-800°C molten The alloys were prepared from particularly pure components by powder metallurgy and protracted annealing. Studies were made of ten alloys with silicon content between 85 and 4% in all the phase fields in the diagram section at 1000°K. We calculated the integral thermodynamic quantities ΔG, ΔH and ΔS for the formation of the silicides FeSi 2 (β), FeSi and Fe 3 Si at the mean temperature for the experimental range (1000°K), and also (using the thermal capacity of the silicides, the iron and the silicon) at 298, 1188 and 1798°K. The heats of formation of the silicides mentioned at 298°K (kcal/mole) are -19.4, -17.6 and -22.4 respectively. The data existing in the literature enable us to calculate the heat of formation of FeSi 2.33 (α-leboite) at 298°K and this is found to be -14.4 kcal/mole. The heats calculated by us are 1.5-3 kcal higher than the experimental values of Corber and Olsen. The heats of mixing calculated by us for liquid alloys agree well with data in the literature. The data obtained can be regarded as due to the change in the character of the bond in silicides from metallic to covalent when the silicon content is increased. From the data for alloy solutions of silicon in a-iron, the iron activities were calculated. It was found that the α ⇌ α' transformation observed is a real phase transformation. The two-phase range is wider than shown in the phase diagram (from data in the literature). Conversion of the iron activities in solid solution to liquid solution gives good agreement with the data of Chipman. (author) [fr

Determining the phase diagram of lithium via ab initio calculation and ramp compression

Science.gov (United States)

Shulenburger, Luke; Seagle, Chris; Haill, Thomas; Harding, Eric

2015-06-01

Diamond anvil cell experiments have shown elemental lithium to have an extraordinarily complex phase diagram under pressure exhibiting numerous solid phases at pressures below 1 Mbar, as well as a complicated melting behavior. We explore this phase diagram utilizing a combination of quantum mechanical calculations and ramp compression experiments performed on Sandia National Laboratories' Z-machine. We aim to extend our knowledge of the high pressure behavior to moderate temperatures at pressures above 50 GPa with a specific focus on the melt line above 70 GPa. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Dept of Energy's Natl. Nuclear Security Administration under Contract DE-AC04-94AL85000.

Effects in Mg-Zn-based alloys strengthened by quasicrystalline phase

International Nuclear Information System (INIS)

Vlček, M; Čížek, J; Lukáč, F; Melikhova, O; Hruška, P; Procházka, I; Vlach, M; Stulíková, I; Smola, B; Jäger, A

2016-01-01

Magnesium Mg-based alloys are promising lightweight structural materials for automotive, aerospace and biomedical applications. Recently Mg-Zn-Y system attracted a great attention due to a stable icosahedral phase (I-phase) with quasicrystalline structure which is formed in these alloys. Positron lifetime spectroscopy and in situ synchrotron X-ray diffraction were used to study thermal stability of I-phase and precipitation effects in Mg-Zn-Y and Mg- Zn-Al alloys. All alloys containing quasicrystalline I-phase exhibit misfit defects characterized by positron lifetime of ∼ 300 ps. These defects are associated with the interfaces between I- phase particles and Mg matrix. The quasicrystalline I-phase particles were found to be stable up to temperatures as high as ∼ 370°C. The W-phase is more stable and melts at ∼ 420°C. Concentration of defects associated with I-phase decreases after annealing at temperatures above ∼ 300°C. (paper)

Conductivity, calorimetry and phase diagram of the NaHSO4–KHSO4 system

DEFF Research Database (Denmark)

Hind, Hamma-Cugny; Rasmussen, Søren Birk; Rogez, J.

2006-01-01

to polynomials of the form κ(X)=A(X)+B(X)(T-Tm)+C(X)(T-Tm)2, where Tm is the intermediate temperature of the measured temperature range and X, the mole fraction of KHSO4. The possible role of this binary system as a catalyst solvent is also discussed. (C) 2005 Elsevier B.V. All rights reserved.......Physico-chemical properties of the binary system NaHSO4-KHSO4 were studied by calorimetry and conductivity, The enthalpy of mixing has been measured at 505 K in the full composition range and the phase diagram calculated. The phase diagram has also been constructed from phase transition...

Phase diagram studies for microencapsulation of pharmaceuticals using cellulose acetate trimellitate.

Science.gov (United States)

Sanghvi, S P; Nairn, J G

1991-04-01

Phase diagrams were prepared to indicate the region of microcapsule formation for the following system: cellulose acetate trimellitate, light mineral oil, and the solvent mixture (acetone:ethanol), using chloroform as the hardening agent. The effect of sorbitan monoleate, sorbitan monolaurate, and sorbitan trioleate on the region of the phase diagram for the formation of microcapsules was investigated. The results indicate that microcapsules are readily formed when the polymer concentration is in the 0.5-1.5% range and the solvent concentration is in the 5-10% range. Aggregation of microcapsules was minimized by using lower solvent concentration. Low concentrations of sorbitan monooleate in mineral oil (less than or equal to 1%) gave products that had smoother coats and more uniform particle size. Surfactants with low hydrophile:lipophile balance produced larger regions on the phase diagram for microencapsulation compared with a surfactant with higher hydrophile:lipophile balance. A mechanism for microencapsulation is described. Tartrazine microcapsules produced using different concentrations of surfactant were tested for dissolution characteristics in both acidic and neutral conditions. Tartrazine-containing microcapsules prepared by using 3% sorbitan monooleate had the lowest release in acidic conditions. The effect of surfactant and formulation concentration on microcapsule size was studied by analyzing the particle size distribution for both blank and tartrazine-containing microcapsules. The smallest microcapsule size was obtained when the sorbitan monooleate concentration was 3%. It appears that there is an upper limit for the surfactant concentration that could be used to achieve successful microencapsulation.

Neutron-diffraction studies of the nuclear magnetic phase diagram of copper

DEFF Research Database (Denmark)

Annila, A.J.; Clausen, Kurt Nørgaard; Oja, A.S.

1992-01-01

We have studied the spontaneous antiferromagnetic (AF) order in the nuclear spin system of copper by use of neutron-diffraction experiments at nanokelvin temperatures. Copper is an ideal model system as a nearest-neighbor-dominated spin-3/2 fcc antiferromagnet. The phase diagram has been investig......We have studied the spontaneous antiferromagnetic (AF) order in the nuclear spin system of copper by use of neutron-diffraction experiments at nanokelvin temperatures. Copper is an ideal model system as a nearest-neighbor-dominated spin-3/2 fcc antiferromagnet. The phase diagram has been...... investigated by measuring the magnetic-field dependence of the (100) reflection, characteristic of a type-I AF structure, and of a Bragg peak at (0 2/3 2/3). The results suggest the presence of high-field (100) phases at 0.12 less-than-or-equal-to B less-than-or-equal-to B(c) almost-equal-to 0.26 mT, for B...... compared with results of earlier susceptibility measurements in order to identify the translational periods of the three previously found antiferromagnetic phases for B parallel-to [100]. Recent theoretical work has yielded results in agreement with our experimental data....

Thermochemical and phase diagram studies of the Sn–Zn–Ni system

Czech Academy of Sciences Publication Activity Database

Gandova, V.D.; Brož, P.; Buršík, Jiří; Vassilev, G.P.

2011-01-01

Roč. 524, 1-2 (2011), s. 47-55 ISSN 0040-6031 Institutional research plan: CEZ:AV0Z20410507 Keywords : DSC * solders * Sn-Zn-Ni phase diagram Subject RIV: BJ - Thermodynamics Impact factor: 1.805, year: 2011

Study of plutonium and its alloys with III B elements

International Nuclear Information System (INIS)

Robert, Gregory

2003-12-01

The objective of this research thesis is to understand phenomena which intervene in the delta phase stabilisation of plutonium alloys, and to build phase diagrams for PuAl, PuGa, and PuIn. After a presentation of some properties of plutonium and of its compounds, the author presents the adopted approach: the 'ab initio' approach to the fundamental state based on the density functional theory (DFT). Then, a numerical method used within the framework of the DFT is developed, and results obtained by using the developed code are presented for the different studied materials (Al, Ga, In, Pu). A gradient correction is applied to the alloys by using the Generalised Gradient Approximation (GGA) with spin polarisation. It allows the determination of the formation energy of compounds. Hybridisation effects between plutonium and delta-generating elements (Al, Ga, In) are assessed. A statistic approach (cluster variation method, CVM) is used to assess the influence of the chemical order at short distance on the stability of the fcc solid solution, and to obtain theoretical binary alloy diagrams

Studies on phase kinetics of new superalloys

International Nuclear Information System (INIS)

Weisbrodt, A.; Penkalla, H.J.; Schubert, F.; Nickel, H.

1990-08-01

At the development of new ODS (Oxide-Dispersion-Strengthened) alloys for components being exposed to hot-gas temperatures nickel-base alloys and ODS alloys have been investigated. The experimental work mainly referred to phase investigations of thermally loaded samples. The addition of alloying elements will have a decisive influence on the γ'-phase fraction, γ'-lattice parameter, the morphology as well as the coarsening behaviour of the γ'-phase under temperature load. The main characteristics of ODS alloys are Y,Al-mixed oxides and microstructural inhomogenities. As for MA6000 a Time-Temperature-Precipitation diagram has been elaborated. By means of the improved computer programme PHASCALC for phase and N v (= average electron vacancy concentration) - value calculation many microstructural parameters such as the γ/γ'-misfit, the solution of the γ'-phase and melting temperatures can be determined. Tensile tests made at temperatures above 900deg C have shown that the strengthening parameters are dependent on alloy composition, temperature conditions, γ'-phase fraction and oxide dispersion content. (orig.) [de

Dynamic phase transitions and dynamic phase diagrams of the spin-2 Blume-Capel model under an oscillating magnetic field within the effective-field theory

Energy Technology Data Exchange (ETDEWEB)

Ertas, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2012-03-15

The dynamic phase transitions are studied in the kinetic spin-2 Blume-Capel model under a time-dependent oscillating magnetic field using the effective-field theory with correlations. The effective-field dynamic equation for the average magnetization is derived by employing the Glauber transition rates and the phases in the system are obtained by solving this dynamic equation. The nature (first- or second-order) of the dynamic phase transition is characterized by investigating the thermal behavior of the dynamic magnetization and the dynamic phase transition temperatures are obtained. The dynamic phase diagrams are constructed in the reduced temperature and magnetic field amplitude plane and are of seven fundamental types. Phase diagrams contain the paramagnetic (P), ferromagnetic-2 (F{sub 2}) and three coexistence or mixed phase regions, namely the F{sub 2}+P, F{sub 1}+P and F{sub 2}+F{sub 1}+P, which strongly depend on the crystal-field interaction (D) parameter. The system also exhibits the dynamic tricritical behavior. - Highlights: Black-Right-Pointing-Pointer Dynamic phase transitions are studied in spin-2 BC model using EFT. Black-Right-Pointing-Pointer Dynamic phase diagrams are constructed in (T/zJ, h/zJ) plane. Black-Right-Pointing-Pointer Seven fundamental types of dynamic phase diagrams are found in the system. Black-Right-Pointing-Pointer System exhibits dynamic tricritical behavior.

Stability conditions and phase diagrams for two-component Fermi gases with population imbalance

International Nuclear Information System (INIS)

Chen Qijin; He Yan; Chien, C.-C.; Levin, K.

2006-01-01

Superfluidity in atomic Fermi gases with population imbalance has recently become an exciting research focus. There is considerable disagreement in the literature about the appropriate stability conditions for states in the phase diagram throughout the BCS to Bose-Einstein condensation crossover. Here we discuss these stability conditions for homogeneous polarized superfluid phases, and compare with recent alternative proposals. The requirement of a positive second-order partial derivative of the thermodynamic potential with respect to the fermionic excitation gap Δ (at fixed chemical potentials) is demonstrated to be equivalent to the positive definiteness of the particle number susceptibility matrix. In addition, we show the positivity of the effective pair mass constitutes another nontrivial stability condition. These conditions determine the (local) stability of the system towards phase separation (or other ordered phases). We also study systematically the effects of finite temperature and the related pseudogap on the phase diagrams defined by our stability conditions

Influence of the selected alloy additions on limiting the phase formation in Cu-Zn alloys

OpenAIRE

J. Kozana; St. Rzadkosz; M. Piękoś

2010-01-01

Influence of the selected alloy additions into copper and zinc alloys was investigated in order to find out the possibility of limiting the precipitation of unfavourable phase . The observation of microstructures and strength tests were performed. The results of metallographic and strength investigations indicate positive influence of small amounts of nickel, cobalt or tellurium. The precise determination of the influence of the selected alloy additions on limiting the gamma phase formation ...

Temperature gradient method for lipid phase diagram construction using time-resolved x-ray diffraction

International Nuclear Information System (INIS)

Caffrey, M.; Hing, F.S.

1987-01-01

A method that enables temperature-composition phase diagram construction at unprecedented rates is described and evaluated. The method involves establishing a known temperature gradient along the length of a metal rod. Samples of different compositions contained in long, thin-walled capillaries are positioned lengthwise on the rod and equilibrated such that the temperature gradient is communicated into the sample. The sample is then moved through a focused, monochromatic synchrotron-derived x-ray beam and the image-intensified diffraction pattern from the sample is recorded on videotape continuously in live-time as a function of position and, thus, temperature. The temperature at which the diffraction pattern changes corresponds to a phase boundary, and the phase(s) existing (coexisting) on either side of the boundary can be identified on the basis of the diffraction pattern. Repeating the measurement on samples covering the entire composition range completes the phase diagram. These additional samples can be conveniently placed at different locations around the perimeter of the cylindrical rod and rotated into position for diffraction measurement. Temperature-composition phase diagrams for the fully hydrated binary mixtures, dimyristoylphosphatidylcholine (DMPC)/dipalmitoylphosphatidylcholine (DPPC) and dipalmitoylphosphatidylethanolamine (DPPE)/DPPC, have been constructed using the new temperature gradient method. They agree well with and extend the results obtained by other techniques. In the DPPE/DPPC system structural parameters as a function of temperature in the various phases including the subgel phase are reported. The potential limitations of this steady-state method are discussed

Revision of the Ge–Ti phase diagram and structural stability of the new phase Ge4Ti5

International Nuclear Information System (INIS)

Bittner, Roland W.; Colinet, Catherine; Tedenac, Jean-Claude; Richter, Klaus W.

2013-01-01

Highlights: •New compound Ge 4 Ti 5 found by experiments and by DFT ground state calculations. •Enthalpies of formation calculated for different Ge–Ti compounds. •Modifications of the Ge–Ti phase diagram suggested. -- Abstract: The binary phase diagram Ge–Ti was investigated experimentally by powder X-ray diffraction, scanning electron microscopy including EDX analysis, and differential thermal analysis. Total energies of the compounds GeTi 3 , GeTi 2 , Ge 3 Ti 5 , Ge 4 Ti 5 , Ge 5 Ti 6 , GeTi and Ge 2 Ti were calculated for various structure types employing electronic density-functional theory (DFT). Experimental studies as well as electronic calculations show the existence of a new phase Ge 4 Ti 5 (Ge 4 Sm 5 -type, oP36, Pnma) which is formed in a solid state reaction Ge 3 Ti 5 + Ge 5 Ti 6 = Ge 4 Ti 5 . In addition, a significant homogeneity range was observed for the compound Ge 3 Ti 5 and the composition of the liquid phase in the eutectic reaction L = Ge + Ge 2 Ti was found to be at significant higher Ge-content (97.5 at.% Ge) than reported in previous studies. Based on these new results, a modified phase diagram Ge–Ti is suggested. The zero-temperature lattice parameters and the formation enthalpies determined by DTF calculations were found to be in good agreement with experimental data

Dynamic vortex-phase diagram of MgB2 single crystals near the peak-effect region

International Nuclear Information System (INIS)

Kim, Heon-Jung; Lee, Hyun-Sook; Kang, Byeongwon; Chowdhury, P.; Kim, Kyung-Hee; Park, Min-Seok; Lee, Sung-Ik

2006-01-01

The dynamic vortex-phase diagram of MgB 2 single crystals has been constructed by using voltage noise characteristics. Between the onset (H on ) and the peak (H p ) magnetic fields, crossovers from a state with large noises to a noise-free state were observed with increasing current while above H p , a reverse behavior was found. We will discuss the dynamic vortex phase diagram and the possible origins of the crossovers

Misfit strain phase diagrams of epitaxial PMN–PT films

Energy Technology Data Exchange (ETDEWEB)

Khakpash, N.; Khassaf, H.; Rossetti, G. A. [Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269 (United States); Alpay, S. P., E-mail: p.alpay@ims.uconn.edu [Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269 (United States); Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States)

2015-02-23

Misfit strain–temperature phase diagrams of three compositions of (001) pseudocubic (1 − x)·Pb (Mg{sub l/3}Nb{sub 2/3})O{sub 3} − x·PbTiO{sub 3} (PMN–PT) thin films are computed using a phenomenological model. Two (x = 0.30, 0.42) are located near the morphotropic phase boundary (MPB) of bulk PMN–PT at room temperature (RT) and one (x = 0.70) is located far from the MPB. The results show that it is possible to stabilize an adaptive monoclinic phase over a wide range of misfit strains. At RT, the stability region of this phase is much larger for PMN–PT compared to barium strontium titanate and lead zirconate titanate films.

Phase diagram of the Kondo-Heisenberg model on honeycomb lattice with geometrical frustration

Science.gov (United States)

Li, Huan; Song, Hai-Feng; Liu, Yu

2016-11-01

We calculated the phase diagram of the Kondo-Heisenberg model on a two-dimensional honeycomb lattice with both nearest-neighbor and next-nearest-neighbor antiferromagnetic spin exchanges, to investigate the interplay between RKKY and Kondo interactions in the presence of magnetic frustration. Within a mean-field decoupling technology in slave-fermion representation, we derived the zero-temperature phase diagram as a function of Kondo coupling J k and frustration strength Q. The geometrical frustration can destroy the magnetic order, driving the original antiferromagnetic (AF) phase to non-magnetic valence bond solids (VBS). In addition, we found two distinct VBS. As J k is increased, a phase transition from AF to Kondo paramagnetic (KP) phase occurs, without the intermediate phase coexisting AF order with Kondo screening found in square lattice systems. In the KP phase, the enhancement of frustration weakens the Kondo screening effect, resulting in a phase transition from KP to VBS. We also found a process to recover the AF order from VBS by increasing J k in a wide range of frustration strength. Our work may provide predictions for future experimental observation of new processes of quantum phase transitions in frustrated heavy-fermion compounds.

Determination of Systems Suitable for Study as Monotectic Binary Metallic Alloy Solidification Models

Science.gov (United States)

Smith, J. E., Jr.

1983-01-01

Succinonitrile-water and diethylene glycol-ethyl salicylate are two transparent systems which have been studied as monotectic binary metallic alloy solidification models. Being transparent, these systems allow for the direct observations of phase transformations and solidification reactions. The objective was to develop a screening technique to find systems of interest and then experimentally measure those systems. The succinonitrile-water system was used to check the procedures. To simulate the phase diagram of the system, two computer programs which determine solid-liquid and liquid-liquid equilibria were obtained. These programs use the UNIFAC method to determine activity coefficients and together with several other programs were used to predict the phase diagram. An experimental apparatus was developed and the succinonitrile-water phase diagram measured. The diagram was compared to both the simulation and literature data. Substantial differences were found in the comparisons which serve to demonstrate the need for this procedure.

Groundstate fidelity phase diagram of the fully anisotropic two-leg spin-½ XXZ ladder

Science.gov (United States)

Li, Sheng-Hao; Shi, Qian-Qian; Batchelor, Murray T.; Zhou, Huan-Qiang

2017-11-01

The fully anisotropic two-leg spin-\\tfrac{1}{2} XXZ ladder model is studied in terms of an algorithm based on the tensor network (TN) representation of quantum many-body states as an adaptation of projected entangled pair states to the geometry of translationally invariant infinite-size quantum spin ladders. The TN algorithm provides an effective method to generate the groundstate wave function, which allows computation of the groundstate fidelity per lattice site, a universal marker to detect phase transitions in quantum many-body systems. The groundstate fidelity is used in conjunction with local order and string order parameters to systematically map out the groundstate phase diagram of the ladder model. The phase diagram exhibits a rich diversity of quantum phases. These are the ferromagnetic, stripe ferromagnetic, rung singlet, rung triplet, Néel, stripe Néel and Haldane phases, along with the two XY phases XY1 and XY2.

Point Defects in Binary Laves-Phase Alloys

Energy Technology Data Exchange (ETDEWEB)

Liaw, P.K.; Liu, C.T.; Pike, L.M.; Zhu, J.H.

1999-01-11

Point defects in the binary C15 NbCrQ and NbCoz, and C 14 NbFe2 systems on both sides of stoichiometry were studied by both bulk density and X-ray Iattiee parameter measurements. It was found that the vacancy concentrations in these systems after quenching from 1000"C are essentially zero. The constitutional defects on both sides of stoichiometry for these systems were found to be of the anti-site type in comparison with the model predictions. Thermal vacancies exhibiting a maximum at the stoichiometric composition were obtained in NbCr2 Laves phase alloys after quenching from 1400"C. However, there are essentially no thermal vacancies in NbFe2 alloys after quenching from 1300oC. Anti-site hardening was found on both sides of stoichiometry for all the tie Laves phase systems studied, while the thermal vacancies in NbCr2 alloys quenched from 1400'C were found to soften the Laves phase. The anti-site hardening of the Laves phases is similar to that of the B2 compounds and the thermal vacancy softening is unique to the Laves phase. Neither the anti-site defects nor the thermal vacancies affect the fracture toughness of the Laves phases significantly.

Investigations of binary and ternary phase change alloys for future memory applications

International Nuclear Information System (INIS)

Rausch, Pascal

2012-01-01

The understanding of phase change materials is of great importance because it enables us to predict properties and tailor alloys which might be even better suitable to tackle challenges of future memory applications. Within this thesis two topics have been approached: on the one hand the understanding of the alloy In 3 Sb 1 Te 2 and on the other hand the so called resistivity drift of amorphous Ge-Sn-Te phase change materials. The main topic covers an in depth discussion of the ternary alloy In 3 Sb 1 Te 2 . At first glance, this alloy does not fit into the established concepts of phase alloys: e.g. the existence of resonant bonding in the crystalline phase is not obvious and the number of p-electrons is very low compared to other phase change alloys. Furthermore amorphous phase change alloys with high indium content are usually not discussed in literature, an exception being the recent work by Spreafico et al. on InGeTe 2 . For the first time a complete description of In 3 Sb 1 Te 2 alloy is given in this work for the crystalline phase, amorphous phase and crystallization process. In addition comparisons are drawn to typical phase change materials like Ge 2 Sb 2 Te 5 /GeTe or prototype systems like AgInTe 2 and InTe. The second topic of this thesis deals with the issue of resistivity drift, i.e. the increase of resistivity of amorphous phase change alloys with aging. This drift effect greatly hampers the introduction of multilevel phase change memory devices into the market. Recently a systematic decrease of drift coefficient with stoichiometry has been observed in our group going from GeTe over Ge 3 Sn 1 Te 4 to Ge 2 Sn 2 Te 4 . These alloys are investigated with respect to constraint theory.

Alloy Effects on the Gas Nitriding Process

Science.gov (United States)

Yang, M.; Sisson, R. D.

2014-12-01

Alloy elements, such as Al, Cr, V, and Mo, have been used to improve the nitriding performance of steels. In the present work, plain carbon steel AISI 1045 and alloy steel AISI 4140 were selected to compare the nitriding effects of the alloying elements in AISI 4140. Fundamental analysis is carried out by using the "Lehrer-like" diagrams (alloy specific Lehrer diagram and nitriding potential versus nitrogen concentration diagram) and the compound layer growth model to simulate the gas nitriding process. With this method, the fundamental understanding for the alloy effect based on the thermodynamics and kinetics becomes possible. This new method paves the way for the development of new alloy for nitriding.

Phase diagram of the Dirac spectrum at nonzero chemical potential

International Nuclear Information System (INIS)

Osborn, J. C.; Splittorff, K.; Verbaarschot, J. J. M.

2008-01-01

The Dirac spectrum of QCD with dynamical fermions at nonzero chemical potential is characterized by three regions: a region with a constant eigenvalue density, a region where the eigenvalue density shows oscillations that grow exponentially with the volume and the remainder of the complex plane where the eigenvalue density is zero. In this paper we derive the phase diagram of the Dirac spectrum from a chiral Lagrangian. We show that the constant eigenvalue density corresponds to a pion condensed phase while the strongly oscillating region is given by a kaon condensed phase. The normal phase with nonzero chiral condensate but vanishing Bose condensates coincides with the region of the complex plane where there are no eigenvalues.

Influence of the selected alloy additions on limiting the phase formation in Cu-Zn alloys

Directory of Open Access Journals (Sweden)

J. Kozana

2010-01-01

Full Text Available Influence of the selected alloy additions into copper and zinc alloys was investigated in order to find out the possibility of limiting the precipitation of unfavourable phase . The observation of microstructures and strength tests were performed. The results of metallographic and strength investigations indicate positive influence of small amounts of nickel, cobalt or tellurium. The precise determination of the influence of the selected alloy additions on limiting the gamma phase formation will be the subject of further examinations.

Ostwald ripening of decomposed phases in Cu-Ni-Cr alloys

International Nuclear Information System (INIS)

Hernandez-Santiago, Felipe; Lopez-Hirata, Victor; Dorantes-Rosales, Hector J.; Saucedo-Munoz, Maribel L.; Gonzalez-Velazquez, Jorge L.; Paniagua-Mercado, Ana Ma.

2008-01-01

A study of the coarsening process of the decomposed phases was carried out in the Cu-34 wt.% Ni-4 wt.% Cr and Cu-45 wt.% Ni-10 wt.% Cr alloys using transmission electron microscopy. As aging progressed, the morphology of the coherent decomposed Ni-rich phase changed from cuboids to platelets aligned in the Cu-rich matrix directions. Prolonged aging caused the loss of coherency between the decomposed phases and the morphology of the Ni-rich phase changed to ellipsoidal. The variation of mean radius of the coherent decomposed phases with aging time followed the modified LSW theory for thermally activated growth in ternary alloy systems. The linear variation of the density number of precipitates and matrix supersaturation with aging time, also confirmed that the coarsening process followed the modified LSW theory in both alloys. The coarsening rate was faster in the symmetrical Cu-45 wt.% Ni-10 wt.% Cr alloy due to its higher volume fraction of precipitates. The activation energy for thermally activated growth was determined to be about 182 and 102 kJ mol -1 in the Cu-34 wt.% Ni-4 wt.% Cr and Cu-45 wt.% Ni-10 wt.% Cr alloys, respectively. The lower energy for the former alloy seems to be related to an increase in the atomic diffusion process as the chromium content increases. The size distributions of precipitates in the Cu-Ni-Cr alloys were broader and more symmetric than that predicted by the modified LSW theory for ternary alloys

High-pressure phase transition and phase diagram of gallium arsenide

Science.gov (United States)

Besson, J. M.; Itié, J. P.; Polian, A.; Weill, G.; Mansot, J. L.; Gonzalez, J.

1991-09-01

Under hydrostatic pressure, cubic GaAs-I undergoes phase transitions to at least two orthorhombic structures. The initial phase transition to GaAs-II has been investigated by optical-transmittance measurements, Raman scattering, and x-ray absorption. The structure of pressurized samples, which are retrieved at ambient, has been studied by x-ray diffraction and high-resolution diffraction microscopy. Various criteria that define the domain of stability of GaAs-I are examined, such as the occurrence of crystalline defects, the local variation in atomic coordination number, or the actual change in crystal structure. These are shown not to occur at the same pressure at 300 K, the latter being observable only several GPa above the actual thermodynamic instability pressure of GaAs-I. Comparison of the evolution of these parameters on increasing and decreasing pressure locates the thermodynamic transition region GaAs-I-->GaAs-II at 12+/-1.5 GPa and at 300 K that is lower than generally reported. The use of thermodynamic relations around the triple point, and of regularities in the properties of isoelectronic and isostructural III-V compounds, yields a phase diagram for GaAs which is consistent with this value.

Investigations of binary and ternary phase change alloys for future memory applications

Energy Technology Data Exchange (ETDEWEB)

Rausch, Pascal

2012-09-13

The understanding of phase change materials is of great importance because it enables us to predict properties and tailor alloys which might be even better suitable to tackle challenges of future memory applications. Within this thesis two topics have been approached: on the one hand the understanding of the alloy In{sub 3}Sb{sub 1}Te{sub 2} and on the other hand the so called resistivity drift of amorphous Ge-Sn-Te phase change materials. The main topic covers an in depth discussion of the ternary alloy In{sub 3}Sb{sub 1}Te{sub 2}. At first glance, this alloy does not fit into the established concepts of phase alloys: e.g. the existence of resonant bonding in the crystalline phase is not obvious and the number of p-electrons is very low compared to other phase change alloys. Furthermore amorphous phase change alloys with high indium content are usually not discussed in literature, an exception being the recent work by Spreafico et al. on InGeTe{sub 2}. For the first time a complete description of In{sub 3}Sb{sub 1}Te{sub 2} alloy is given in this work for the crystalline phase, amorphous phase and crystallization process. In addition comparisons are drawn to typical phase change materials like Ge{sub 2}Sb{sub 2}Te{sub 5}/GeTe or prototype systems like AgInTe{sub 2} and InTe. The second topic of this thesis deals with the issue of resistivity drift, i.e. the increase of resistivity of amorphous phase change alloys with aging. This drift effect greatly hampers the introduction of multilevel phase change memory devices into the market. Recently a systematic decrease of drift coefficient with stoichiometry has been observed in our group going from GeTe over Ge{sub 3}Sn{sub 1}Te{sub 4} to Ge{sub 2}Sn{sub 2}Te{sub 4}. These alloys are investigated with respect to constraint theory.

Prediction of phase equilibria in the In–Sb–Pb system

Directory of Open Access Journals (Sweden)

DUSKO MINIC

2008-03-01

Full Text Available Binary thermodynamic data, successfully used for phase diagram calculations of the binary systems In–Sb, Pb–Sb and In–Pb, were used for the prediction of the phase equilibria in the ternary In–Sb–Pb system. The predicted equilibrium phase diagram of the vertical Pb–InSb section was compared with the results of differential thermal analysis DTA and optical microscopy. The calculated phase diagram of the isothermal section at 300 °C was compared with the experimentally (SEM, EDX determined composition of phases in the chosen alloys after annealing. Very good agreement between the binary-based thermodynamic prediction and the experimental data was found in all cases. The calculated liquidus projection of the ternary In–Sb–Pb system is also presented.

Phase Diagram of a Simple Model for Fractional Topological Insulator

Science.gov (United States)

Chen, Hua; Yang, Kun

2012-02-01

We study a simple model of two species of (or spin-1/2) fermions with short-range intra-species repulsion in the presence of opposite (effetive) magnetic field, each at filling factor 1/3. In the absence of inter-species interaction, the ground state is simply two copies of the 1/3 Laughlin state, with opposite chirality. Due to the overall time-reversal symmetry, this is a fractional topological insulator. We show this phase is stable against moderate inter-species interactions. However strong enough inter-species repulsion leads to phase separation, while strong enough inter-species attraction drives the system into a superfluid phase. We obtain the phase diagram through exact diagonalization caluclations. Nature of the fractional topological insluator-superfluid phase transition is discussed using an appropriate Chern-Simons-Ginsburg-Landau effective field theory.

Dynamics of Shape Memory Alloy Systems, Phase 2

Science.gov (United States)

2015-12-22

Nonlinear Dynamics and Chaos in Systems with Discontinuous Support Using a Switch Model”, DINAME 2005 - XI International Conference on Dynamic Problems in...AFRL-AFOSR-CL-TR-2016-0003 Dynamics of Shape Memory Alloy Systems , Phase 2 Marcelo Savi FUNDACAO COORDENACAO DE PROJETOS PESQUISAS E EEUDOS TECNOL...release. 2 AFOSR FINAL REPORT Grant Title: Nonlinear Dynamics of Shape Memory Alloy Systems , Phase 2 Grant #: FA9550-11-1-0284 Reporting Period

Equilibrium triple point pressure and pressure-temperature phase diagram of polyethylene

NARCIS (Netherlands)

Hikosaka, M.; Tsukijima, K.; Rastogi, S.; Keller, A.

1992-01-01

The equil. triple point and pressure and temp. phase diagrams of polyethylene were obtained by in situ optical microscopic and x-ray observations of the melting temp. of hexagonal and orthorhombic isolated extended-chain single crystals at high pressure. The melting temps. of extended-chain crystals

Dynamic phase transition in the kinetic spin-1 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

International Nuclear Information System (INIS)

Keskin, M.; Canko, O.; Temizer, U.

2007-01-01

Within a mean-field approach, the stationary states of the kinetic spin-1 Blume-Capel model in the presence of a time-dependent oscillating external magnetic field is studied. The Glauber-type stochastic dynamics is used to describe the time evolution of the system and obtain the mean-field dynamic equation of motion. The dynamic phase-transition points are calculated and phase diagrams are presented in the temperature and crystal-field interaction plane. According to the values of the magnetic field amplitude, three fundamental types of phase diagrams are found: One exhibits a dynamic tricritical point, while the other two exhibit a dynamic zero-temperature critical point