Calculation of melting points of oxides

International Nuclear Information System (INIS)

Bobkova, O.S.; Voskobojnikov, V.G.; Kozin, A.I.

1975-01-01

The correlation between the melting point and thermodynamic parameters characterizing the strength of oxides and compounds is given. Such thermodynamic paramters include the energy and antropy of atomization

Evaluation of melting point of UO2 by molecular dynamics simulation

International Nuclear Information System (INIS)

Arima, Tatsumi; Idemitsu, Kazuya; Inagaki, Yaohiro; Tsujita, Yuichi; Kinoshita, Motoyasu; Yakub, Eugene

2009-01-01

The melting point of UO 2 has been evaluated by molecular dynamics simulation (MD) in terms of interatomic potential, pressure and Schottky defect concentration. The Born-Mayer-Huggins potentials with or without a Morse potential were explored in the present study. Two-phase simulation whose supercell at the initial state consisted of solid and liquid phases gave the melting point comparable to the experimental data using the potential proposed by Yakub. The heat of fusion was determined by the difference in enthalpy at the melting point. In addition, MD calculations showed that the melting point increased with pressure applied to the system. Thus, the Clausius-Clapeyron equation was verified. Furthermore, MD calculations clarified that an addition of Schottky defects, which generated the local disorder in the UO 2 crystal, lowered the melting point.

Studies of melting, crystallization, and commensurate-incommensurate transitions in two dimensions: Third year progress report

International Nuclear Information System (INIS)

Mockler, R.C.; O'Sullivan, W.J.

1988-09-01

The free expansion melting of a 2D suspension of micron-size spheres contained between parallel silica plates has been analyzed in some detail. The translational and orientational correlation functions conform with KTHNY theory prediction of a two-step melting process. The visual observations and study of the defect structures and evolution strongly suggest the process is first order with two-phase coexistence taking the place of the intermediate (hexatic) phase. On the other hand, melting of a 2.88 μm monolayer on water is in accord with KTHNY including the observation of dislocation-pair unbinding at the first transition. However, there is no evidence of the dissociation of dislocation into free disclinations at the second transition (the defect structure is much too complex here). Dynamic light scattering experiments on a 2D crystal on the surface of water yield viscous damping factors, force constants and the Lame coefficients. 2D computer simulation, in collaboration with Noel Clark's group, reveal cooperative motion along chains of particles (''snakes''). They appear to be the principal cause of diffusion near the melting point and important in the melting process. 16 refs

On the correlation between hydrogen bonding and melting points in the inositols

DEFF Research Database (Denmark)

Bekö, Sándor L; Alig, Edith; Schmidt, Martin U

2014-01-01

Inositol, 1,2,3,4,5,6-hexahydroxycyclohexane, exists in nine stereoisomers with different crystal structures and melting points. In a previous paper on the relationship between the melting points of the inositols and the hydrogen-bonding patterns in their crystal structures [Simperler et al. (2006...... ▶). CrystEngComm 8, 589], it was noted that although all inositol crystal structures known at that time contained 12 hydrogen bonds per molecule, their melting points span a large range of about 170 °C. Our preliminary investigations suggested that the highest melting point must be corrected for the effect...... ordered phases could be determined, of which seven were obtained from laboratory X-ray powder diffraction data. Five additional phases turned out to be rotator phases and only their unit cells could be determined. Two previously unknown melting points were measured, as well as most enthalpies of melting...

Systematic prediction of high-pressure melting curves of transition metals

International Nuclear Information System (INIS)

Hieu, Ho Khac

2014-01-01

The pressure effects on melting temperatures of transition metals have been studied based on the combination of the modified Lindemann criterion with statistical moment method in quantum statistical mechanics. Numerical calculations have been performed for five transition metals including Cu, Pd, Pt, Ni, and Mn up to pressure 100 GPa. Our results are in good and reasonable agreements with available experimental data. This approach gives us a relatively simple method for qualitatively calculating high-pressure melting temperature. Moreover, it can be used to verify future experimental and theoretical works. This research proposes the potential of the combination of statistical moment method and the modified Lindemann criterion on predicting high-pressure melting of materials.

Shape and Symmetry Determine Two-Dimensional Melting Transitions of Hard Regular Polygons

Directory of Open Access Journals (Sweden)

Joshua A. Anderson

2017-04-01

Full Text Available The melting transition of two-dimensional systems is a fundamental problem in condensed matter and statistical physics that has advanced significantly through the application of computational resources and algorithms. Two-dimensional systems present the opportunity for novel phases and phase transition scenarios not observed in 3D systems, but these phases depend sensitively on the system and, thus, predicting how any given 2D system will behave remains a challenge. Here, we report a comprehensive simulation study of the phase behavior near the melting transition of all hard regular polygons with 3≤n≤14 vertices using massively parallel Monte Carlo simulations of up to 1×10^{6} particles. By investigating this family of shapes, we show that the melting transition depends upon both particle shape and symmetry considerations, which together can predict which of three different melting scenarios will occur for a given n. We show that systems of polygons with as few as seven edges behave like hard disks; they melt continuously from a solid to a hexatic fluid and then undergo a first-order transition from the hexatic phase to the isotropic fluid phase. We show that this behavior, which holds for all 7≤n≤14, arises from weak entropic forces among the particles. Strong directional entropic forces align polygons with fewer than seven edges and impose local order in the fluid. These forces can enhance or suppress the discontinuous character of the transition depending on whether the local order in the fluid is compatible with the local order in the solid. As a result, systems of triangles, squares, and hexagons exhibit a Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY predicted continuous transition between isotropic fluid and triatic, tetratic, and hexatic phases, respectively, and a continuous transition from the appropriate x-atic to the solid. In particular, we find that systems of hexagons display continuous two-step KTHNY melting. In

Applicability of low-melting-point microcrystalline wax to develop temperature-sensitive formulations.

Science.gov (United States)

Matsumoto, Kohei; Kimura, Shin-Ichiro; Iwao, Yasunori; Itai, Shigeru

2017-10-30

Low-melting-point substances are widely used to develop temperature-sensitive formulations. In this study, we focused on microcrystalline wax (MCW) as a low-melting-point substance. We evaluated the drug release behavior of wax matrix (WM) particles using various MCW under various temperature conditions. WM particles containing acetaminophen were prepared using a spray congealing technique. In the dissolution test at 37°C, WM particles containing low-melting-point MCWs whose melting was starting at approx. 40°C (Hi-Mic-1045 or 1070) released the drug initially followed by the release of only a small amount. On the other hand, in the dissolution test at 20 and 25°C for WM particles containing Hi-Mic-1045 and at 20, 25, and 30°C for that containing Hi-Mic-1070, both WM particles showed faster drug release than at 37°C. The characteristic drug release suppression of WM particles containing low-melting-point MCWs at 37°C was thought attributable to MCW melting, as evidenced by differential scanning calorimetry analysis and powder X-ray diffraction analysis. Taken together, low-melting-point MCWs may be applicable to develop implantable temperature-sensitive formulations that drug release is accelerated by cooling at administered site. Copyright © 2017 Elsevier B.V. All rights reserved.

An Explanation for the Arctic Sea Ice Melt Pond Fractal Transition

Science.gov (United States)

Popovic, P.; Abbot, D. S.

2016-12-01

As Arctic sea ice melts during the summer, pools of melt water form on its surface. This decreases the ice's albedo, which signifcantly impacts its subsequent evolution. Understanding this process is essential for buiding accurate sea ice models in GCMs and using them to forecast future changes in sea ice. A feature of melt ponds that helps determine their impact on ice albedo is that they often form complex geometric shapes. One characteristic of their shape, the fractal dimension of the pond boundaries, D, has been shown to transition between the two fundamental limits of D = 1 and D = 2 at some critical pond size. Here, we provide an explanation for this behavior. First, using aerial photographs taken during the SHEBA mission, we show how this fractal transition curve changes with time, and show that there is a qualitative difference in the pond shape as ice transitions from impermeable to permeable. While ice is impermeable, the maximum fractal dimension is less than 2, whereas after it becomes permeable, the maximum fractal dimension becomes very close to 2. We then show how the fractal dimension of the boundary of a collection of overlapping circles placed randomly on a plane also transitions from D = 1 to D = 2 at a size equal to the average size of a single circle. We, therefore, conclude that this transition is a simple geometric consequence of regular shapes connecting. The one physical parameter that can be extracted from the fractal transition curve is the length scale at which transition occurs. Previously, this length scale has been associated with the typical size of snow dunes created on the ice surface during winter. We provide an alternative explanation by noting that the flexural wavelength of the ice poses a fundamental limit on the size of melt ponds on permeable ice. If this is true, melt ponds could be used as a proxy for ice thickness. Finally, we provide some remarks on how to observationally distinguish between the two ideas for what

Estimating the melting point, entropy of fusion, and enthalpy of ...

Science.gov (United States)

The entropies of fusion, enthalies of fusion, and melting points of organic compounds can be estimated through three models developed using the SPARC (SPARC Performs Automated Reasoning in Chemistry) platform. The entropy of fusion is modeled through a combination of interaction terms and physical descriptors. The enthalpy of fusion is modeled as a function of the entropy of fusion, boiling point, and fexibility of the molecule. The melting point model is the enthlapy of fusion divided by the entropy of fusion. These models were developed in part to improve SPARC's vapor pressure and solubility models. These models have been tested on 904 unique compounds. The entropy model has a RMS of 12.5 J mol-1K-1. The enthalpy model has a RMS of 4.87 kJ mol-1. The melting point model has a RMS of 54.4°C. Published in the journal, SAR and QSAR in Environmental Research

Determination of melting point of mixed-oxide fuel irradiated in a fast breeder reactor

International Nuclear Information System (INIS)

Tachibana, Toshimichi

1985-01-01

The melting point of fuel is important to set its in-reactor maximum temperature in fuel design. The fuel melting point measuring methods are broadly the filament method and the capsule sealing method. The only instance of measuring the melting point of irradiated mixed oxide (U, Pu)O 2 fuel by the filament method is by GE in the United States. The capsule sealing method, while the excellent means, is difficult in weld sealing the irradiated fuel in a capsule within the cell. In the fast reactor development program, the remotely operated melting point measuring apparatus in capsule sealing the mixed (U, Pu)O 2 fuel irradiated in the experimental FBR Joyo was set in the cell and the melting point was measured, for the first time in the world. (Mori, K.)

Indication of liquid-liquid phase transition in CuZr-based melts

DEFF Research Database (Denmark)

Zhou, C.; Hu, L.N.; Sun, Q.J.

2013-01-01

We study the dynamic behavior of CuZr-based melts well above the liquidus temperature. The results show a discontinuous change in viscosity during cooling, which is attributed to an underlying liquid-liquid phase transition (LLPT) in these melts. The LLPT is further verified by thermodynamic...

Decompression-induced melting of ice IV and the liquid-liquid transition in water

Science.gov (United States)

Mishima, Osamu; Stanley, H. Eugene

1998-03-01

Although liquid water has been the focus of intensive research for over 100 years, a coherent physical picture that unifies all of the known anomalies of this liquid, is still lacking. Some of these anomalies occur in the supercooled region, and have been rationalized on the grounds of a possible retracing of the liquid-gas spinodal (metastability limit) line into the supercooled liquid region, or alternatively the presence of a line of first-order liquid-liquid phase transitions in this region which ends in a critical point,. But these ideas remain untested experimentally, in part because supercooled water can be probed only above the homogeneous nucleation temperature TH at which water spontaneously crystallizes. Here we report an experimental approach that is not restricted by the barrier imposed by TH, involving measurement of the decompression-induced melting curves of several high-pressure phases of ice in small emulsified droplets. We find that the melting curve for ice IV seems to undergo a discontinuity at precisely the location proposed for the line of liquid-liquid phase transitions. This is consistent with, but does not prove, the coexistence of two different phases of (supercooled) liquid water. From the experimental data we calculate a possible Gibbs potential surface and a corresponding equation of state for water, from the forms of which we estimate the coordinates of the liquid-liquid critical point to be at pressure Pc ~ 0.1GPa and temperature Tc ~ 220K.

Some thermophysical properties of ruthenium in the neighbourhood of the melting point

International Nuclear Information System (INIS)

Sheindlin, A.E.; Kats, S.A.; Berezin, B.Ya.; Chekhovskoy, V.Ya.; Kenisarin, M.M.

1975-01-01

The technique of levitation calorimetry has been used to study for the first time thermophysical properties of ruthenium in the neighbourhood of the melting point. To measure enthalpy a copper block calorimeter with an istohermal jacket has been used. Basing on the values measured the equations for enthalpy of solid and liquid ruthenium within the temperature ranges of 2,270-2,607 K and 2,607-2,760 K respectively have been obtained by the least squares method. In addition the melting temperature of ruthenium and its brightness temperature at the melting point, the wavelength being 0.65 micron, have been measured. The results of the measurements have been used to calculate the heat and entropy of fusion, the specific heat of solid and that of liquid ruthenium and its normal spectral emissivity at the melting point

Low-melting point heat transfer fluid

Science.gov (United States)

Cordaro, Joseph Gabriel; Bradshaw, Robert W.

2010-11-09

A low-melting point, heat transfer fluid made of a mixture of five inorganic salts including about 29.1-33.5 mol % LiNO.sub.3, 0-3.9 mol % NaNO.sub.3, 2.4-8.2 mol % KNO.sub.3, 18.6-19.9 mol % NaNO.sub.2, and 40-45.6 mol % KNO.sub.2. These compositions can have liquidus temperatures below 80.degree. C. for some compositions.

A density functional theory based approach for predicting melting points of ionic liquids.

Science.gov (United States)

Chen, Lihua; Bryantsev, Vyacheslav S

2017-02-01

Accurate prediction of melting points of ILs is important both from the fundamental point of view and from the practical perspective for screening ILs with low melting points and broadening their utilization in a wider temperature range. In this work, we present an ab initio approach to calculate melting points of ILs with known crystal structures and illustrate its application for a series of 11 ILs containing imidazolium/pyrrolidinium cations and halide/polyatomic fluoro-containing anions. The melting point is determined as a temperature at which the Gibbs free energy of fusion is zero. The Gibbs free energy of fusion can be expressed through the use of the Born-Fajans-Haber cycle via the lattice free energy of forming a solid IL from gaseous phase ions and the sum of the solvation free energies of ions comprising IL. Dispersion-corrected density functional theory (DFT) involving (semi)local (PBE-D3) and hybrid exchange-correlation (HSE06-D3) functionals is applied to estimate the lattice enthalpy, entropy, and free energy. The ions solvation free energies are calculated with the SMD-generic-IL solvation model at the M06-2X/6-31+G(d) level of theory under standard conditions. The melting points of ILs computed with the HSE06-D3 functional are in good agreement with the experimental data, with a mean absolute error of 30.5 K and a mean relative error of 8.5%. The model is capable of accurately reproducing the trends in melting points upon variation of alkyl substituents in organic cations and replacement one anion by another. The results verify that the lattice energies of ILs containing polyatomic fluoro-containing anions can be approximated reasonably well using the volume-based thermodynamic approach. However, there is no correlation of the computed lattice energies with molecular volume for ILs containing halide anions. Moreover, entropies of solid ILs follow two different linear relationships with molecular volume for halides and polyatomic fluoro

On high-pressure melting of tantalum

Science.gov (United States)

Luo, Sheng-Nian; Swift, Damian C.

2007-01-01

The issues related to high-pressure melting of Ta are discussed within the context of diamond-anvil cell (DAC) and shock wave experiments, theoretical calculations and common melting models. The discrepancies between the extrapolations of the DAC melting curve and the melting point inferred from shock wave experiments, cannot be reconciled either by superheating or solid-solid phase transition. The failure to reproduce low-pressure DAC melting curve by melting models such as dislocation-mediated melting and the Lindemann law, and molecular dynamics and quantum mechanics-based calculations, undermines their predictions at moderate and high pressures. Despite claims to the contrary, the melting curve of Ta (as well as Mo and W) remains inconclusive at high pressures.

Theoretical Understanding the Relations of Melting-point Determination Methods from Gibbs Thermodynamic Surface and Applications on Melting Curves of Lower Mantle Minerals

Science.gov (United States)

Yin, K.; Belonoshko, A. B.; Zhou, H.; Lu, X.

2016-12-01

The melting temperatures of materials in the interior of the Earth has significant implications in many areas of geophysics. The direct calculations of the melting point by atomic simulations would face substantial hysteresis problem. To overcome the hysteresis encountered in the atomic simulations there are a few different melting-point determination methods available nowadays, which are founded independently, such as the free energy method, the two-phase or coexistence method, and the Z method, etc. In this study, we provide a theoretical understanding the relations of these methods from a geometrical perspective based on a quantitative construction of the volume-entropy-energy thermodynamic surface, a model first proposed by J. Willard Gibbs in 1873. Then combining with an experimental data and/or a previous melting-point determination method, we apply this model to derive the high-pressure melting curves for several lower mantle minerals with less computational efforts relative to using previous methods only. Through this way, some polyatomic minerals at extreme pressures which are almost unsolvable before are calculated fully from first principles now.

Noise temperature measurements for the determination of the thermodynamic temperature of the melting point of palladium

Energy Technology Data Exchange (ETDEWEB)

Edler, F.; Kuhne, M.; Tegeler, E. [Bundesanstalt Physikalisch-Technische, Berlin (Germany)

2004-02-01

The thermodynamic temperature of the melting point of palladium in air was measured by noise thermometric methods. The temperature measurement was based on noise comparison using a two-channel arrangement to eliminate parasitic noises of electronic components by cross correlation. Three miniature fixed points filled with pure palladium (purity: {approx}99.99%, mass: {approx}90 g) were used to realize the melts of the fixed point metal. The measured melting temperature of palladium in air amounted to 1552.95 deg C {+-} 0.21 K (k = 2). This temperature is 0.45 K lower than the temperature of the melting point of palladium measured by radiation thermometry. (authors)

Shear melting and high temperature embrittlement: theory and application to machining titanium.

Science.gov (United States)

Healy, Con; Koch, Sascha; Siemers, Carsten; Mukherji, Debashis; Ackland, Graeme J

2015-04-24

We describe a dynamical phase transition occurring within a shear band at high temperature and under extremely high shear rates. With increasing temperature, dislocation deformation and grain boundary sliding are supplanted by amorphization in a highly localized nanoscale band, which allows for massive strain and fracture. The mechanism is similar to shear melting and leads to liquid metal embrittlement at high temperature. From simulation, we find that the necessary conditions are lack of dislocation slip systems, low thermal conduction, and temperature near the melting point. The first two are exhibited by bcc titanium alloys, and we show that the final one can be achieved experimentally by adding low-melting-point elements: specifically, we use insoluble rare earth metals (REMs). Under high shear, the REM becomes mixed with the titanium, lowering the melting point within the shear band and triggering the shear-melting transition. This in turn generates heat which remains localized in the shear band due to poor heat conduction. The material fractures along the shear band. We show how to utilize this transition in the creation of new titanium-based alloys with improved machinability.

Structure and thermal expansion of Lu2O3 and Yb2O3 up to the melting points

Science.gov (United States)

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J. K.

2017-11-01

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. Structure and thermal expansion of Lu2O3 and Yb2O3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb2O3 and Lu2O3 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10-6 K-1 and (7.7 ± 0.6) · 10-6 K-1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb2O3 phase transformation to hexagonal phase prior to melting.

Melting point of polymers under high pressure Part I: Influence of the polymer properties

International Nuclear Information System (INIS)

Seeger, Andreas; Freitag, Detlef; Freidel, Frank; Luft, Gerhard

2004-01-01

The pressure dependence of the melting point of various polymers including homo- and copolymers (HDPE, LDPE, PP and ethylene vinyl acetate copolymers (EVA)) was investigated under nitrogen atmosphere up to 330 MPa within a high pressure differential thermal analysis cell designed by our group. The properties of the polymers (vinylacetate content, melt flow index, molecular weight, isotactic index, crystallinity, density, and frequency of branching) have been correlated with the change of the melting point under pressure (dT m /dp). It could be shown that the melting point always increases linearly with pressure up to 330 MPa. The pressure dependence was found to be in the range of 11-17 K/(100 MPa). From these results it is possible to approximate dT m /dp using the enthalpy of fusion of the polymers at ambient pressure

Detection of Second Order Melting Transitions in the HTSC's by Specific Heat Measurements?

Science.gov (United States)

Pierson, Stephen W.; Valls, Oriol T.

1997-03-01

The finite magnetic field phase transition in the high-temperature superconductors from the solid vortex lattice to the liquid has been under intense study recently. Detection of this melting is difficult but has been seen in magnetization and resistivity measurements. It has also been reported recently in specific heat measurements. In particular, in one case, evidence for a second order melting phase transition has been presented based on specific heat measurements.(M. Roulin, A. Junod, and E. Walker. Science 273), 1210 (1996). However, we present evidence that the feature in the specific heat data can be explained using a theory derived using the lowest-Landau-level approximation(Z. Tes)anović and A. V. Andreev, Phys. Rev. B 49, 4064 (1994) that does not invoke flux lattice melting arguments.

On the yield of cold and ultracold neutrons for liquid hydrogen at low temperatures near the melting point

CERN Document Server

Morishima, N

1999-01-01

The neutron scattering cross sections for liquid hydrogen in the temperature range from the melting point to the boiling point are calculated. It is shown that lowering the temperature results in a significant increase in the yield of cold neutrons: for instance, a 44% increase for an incident neutron energy of 19.4 meV. The major cause of this increment is the para-to-ortho transition of a hydrogen molecule though accompanied by an appreciable increase in the density. The results of the cold- and ultracold-neutron yields are discussed in connection with the experimental results of Altarev et al. at the WWR-M reactor.

Communication: A coil-stretch transition in planar elongational flow of an entangled polymeric melt

Science.gov (United States)

Nafar Sefiddashti, Mohammad H.; Edwards, Brian J.; Khomami, Bamin

2018-04-01

Virtual experimentation of atomistic entangled polyethylene melts undergoing planar elongational flow revealed an amazingly detailed depiction of individual macromolecular dynamics and the resulting effect on bistable configurational states. A clear coil-stretch transition was evident, in much the same form as first envisioned by de Gennes for dilute solutions of high polymers, resulting in an associated hysteresis in the configurational flow profile over the range of strain rates predicted by theory. Simulations conducted at steady state revealed bimodal distribution functions, in which equilibrium configurational states were simultaneously populated by relatively coiled and stretched molecules which could transition from one conformational mode to the other over a relatively long time scale at critical values of strain rates. The implication of such behavior points to a double-well conformational free energy potential with an activation barrier between the two configurational minima.

Pre-melting hcp to bcc Transition in Beryllium

OpenAIRE

Lu, Y.; Sun, T.; Zhang, Ping.; Zhang, P.; Zhang, D. -B.; Wentzcovitch, R. M.

2017-01-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

Origin of melting point depression for rare gas solids confined in carbon pores

International Nuclear Information System (INIS)

Morishige, Kunimitsu; Kataoka, Takaaki

2015-01-01

To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ∼0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point

Origin of melting point depression for rare gas solids confined in carbon pores

Energy Technology Data Exchange (ETDEWEB)

Morishige, Kunimitsu, E-mail: morishi@chem.ous.ac.jp; Kataoka, Takaaki [Department of Chemistry, Okayama University of Science, 1-1 Ridai-cho, Kita-ku, Okayama 700-0005 (Japan)

2015-07-21

To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ∼0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point.

Palm-Based Standard Reference Materials for Iodine Value and Slip Melting Point

Directory of Open Access Journals (Sweden)

Azmil Haizam Ahmad Tarmizi

2008-01-01

Full Text Available This work described study protocols on the production of Palm-Based Standard Reference Materials for iodine value and slip melting point. Thirty-three laboratories collaborated in the inter-laboratory proficiency tests for characterization of iodine value, while thirty-two laboratories for characterization of slip melting point. The iodine value and slip melting point of palm oil, palm olein and palm stearin were determined in accordance to MPOB Test Methods p3.2:2004 and p4.2:2004, respectively. The consensus values and their uncertainties were based on the acceptability of statistical agreement of results obtained from collaborating laboratories. The consensus values and uncertainties for iodine values were 52.63 ± 0.14 Wijs in palm oil, 56.77 ± 0.12 Wijs in palm olein and 33.76 ± 0.18 Wijs in palm stearin. For the slip melting points, the consensus values and uncertainties were 35.6 ± 0.3 ° C in palm oil, 22.7 ± 0.4 ° C in palm olein and 53.4 ± 0.2 ° C in palm stearin. Repeatability and reproducibility relative standard deviations were found to be good and acceptable, with values much lower than that of 10%. Stability of Palm-Based Standard Reference Materials remained stable at temperatures of -20 ° C, 0 ° C, 6 ° C and 24 ° C upon storage for one year.

Palm-Based Standard Reference Materials for Iodine Value and Slip Melting Point

Directory of Open Access Journals (Sweden)

Azmil Haizam Ahmad Tarmizi

2008-01-01

Full Text Available This work described study protocols on the production of Palm-Based Standard Reference Materials for iodine value and slip melting point. Thirty-three laboratories collaborated in the inter-laboratory proficiency tests for characterization of iodine value, while thirty-two laboratories for characterization of slip melting point. The iodine value and slip melting point of palm oil, palm olein and palm stearin were determined in accordance to MPOB Test Methods p3.2:2004 and p4.2:2004, respectively. The consensus values and their uncertainties were based on the acceptability of statistical agreement of results obtained from collaborating laboratories. The consensus values and uncertainties for iodine values were 52.63 ± 0.14 Wijs in palm oil, 56.77 ± 0.12 Wijs in palm olein and 33.76 ± 0.18 Wijs in palm stearin. For the slip melting points, the consensus values and uncertainties were 35.6 ± 0.3 °C in palm oil, 22.7 ± 0.4 °C in palm olein and 53.4 ± 0.2 °C in palm stearin. Repeatability and reproducibility relative standard deviations were found to be good and acceptable, with values much lower than that of 10%. Stability of Palm-Based Standard Reference Materials remained stable at temperatures of –20 °C, 0 °C, 6 °C and 24 °C upon storage for one year.

Rapid transitions between defect configurations in a block copolymer melt.

Science.gov (United States)

Tsarkova, Larisa; Knoll, Armin; Magerle, Robert

2006-07-01

With in situ scanning force microscopy, we image the ordering of cylindrical microdomains in a thin film of a diblock copolymer melt. Tracking the evolution of individual defects reveals elementary steps of defect motion via interfacial undulations and repetitive transitions between distinct defect configurations on a time scale of tens of seconds. The velocity of these transitions suggests a cooperative movement of clusters of chains. The activation energy for the opening/closing of a connection between two cylinders is estimated.

An assessment of the melting, boiling, and critical point data of the alkali metals

International Nuclear Information System (INIS)

Ohse, R.W.; Babelot, J.-F.; Magill, J.

1985-01-01

The paper reviews the measured melting, boiling and critical point data of alkali metals. A survey of the static heat generation methods for density and pressure-volume-temperature measurements is given. Measured data on the melting and boiling temperatures of lithium, sodium, potassium, rubidium and caesium are summarised. Also measured critical point data for the same five alkali metals are presented, and discussed. (U.K.)

Melting point of high-purity germanium stable isotopes

Science.gov (United States)

Gavva, V. A.; Bulanov, A. D.; Kut'in, A. M.; Plekhovich, A. D.; Churbanov, M. F.

2018-05-01

The melting point (Tm) of germanium stable isotopes 72Ge, 73Ge, 74Ge, 76Ge was determined by differential scanning calorimetry. With the increase in atomic mass of isotope the decrease in Tm is observed. The decrease was equal to 0.15 °C per the unit of atomic mass which qualitatively agrees with the value calculated by Lindemann formula accounting for the effect of "isotopic compression" of elementary cell.

Temperature calibration procedure for thin film substrates for thermo-ellipsometric analysis using melting point standards

International Nuclear Information System (INIS)

Kappert, Emiel J.; Raaijmakers, Michiel J.T.; Ogieglo, Wojciech; Nijmeijer, Arian; Huiskes, Cindy; Benes, Nieck E.

2015-01-01

Highlights: • Facile temperature calibration method for thermo-ellipsometric analysis. • The melting point of thin films of indium, lead, zinc, and water can be detected by ellipsometry. • In-situ calibration of ellipsometry hot stage, without using any external equipment. • High-accuracy temperature calibration (±1.3 °C). - Abstract: Precise and accurate temperature control is pertinent to studying thermally activated processes in thin films. Here, we present a calibration method for the substrate–film interface temperature using spectroscopic ellipsometry. The method is adapted from temperature calibration methods that are well developed for thermogravimetric analysis and differential scanning calorimetry instruments, and is based on probing a transition temperature. Indium, lead, and zinc could be spread on a substrate, and the phase transition of these metals could be detected by a change in the Ψ signal of the ellipsometer. For water, the phase transition could be detected by a loss of signal intensity as a result of light scattering by the ice crystals. The combined approach allowed for construction of a linear calibration curve with an accuracy of 1.3 °C or lower over the full temperature range

Melting along the Hugoniot and solid phase transition for Sn via sound velocity measurements

Science.gov (United States)

Song, Ping; Cai, Ling-cang; Tao, Tian-jiong; Yuan, Shuai; Chen, Hong; Huang, Jin; Zhao, Xin-wen; Wang, Xue-jun

2016-11-01

It is very important to determine the phase boundaries for materials with complex crystalline phase structures to construct their corresponding multi-phase equation of state. By measuring the sound velocity of Sn with different porosities, different shock-induced melting pressures along the solid-liquid phase boundary could be obtained. The incipient shock-induced melting of porous Sn samples with two different porosities occurred at a pressure of about 49.1 GPa for a porosity of 1.01 and 45.6 GPa for a porosity of 1.02, based on measurements of the sound velocity. The incipient shock-induced melting pressure of solid Sn was revised to 58.1 GPa using supplemental measurements of the sound velocity. Trivially, pores in Sn decreased the shock-induced melting pressure. Based on the measured longitudinal sound velocity data, a refined solid phase transition and the Hugoniot temperature-pressure curve's trend are discussed. No bcc phase transition occurs along the Hugoniot for porous Sn; further investigation is required to understand the implications of this finding.

SHORT COMMUNICATION: Correlation between the Resistance Ratios of Platinum Resistance Thermometers at the Melting Point of Gallium and the Triple Point of Mercury

Science.gov (United States)

Singh, Y. P.; Maas, H.; Edler, F.; Zaidi, Z. H.

1994-01-01

A set of resistance ratios (W) for platinum resistance thermometers was obtained at the triple point of Hg and the melting point of Ga in order to study their relationship. It was found that using measured values for one of the fixed points, a linear equation will predict the value of the other. These measurements also indicate that the fixed points of Hg and of Ga are inconsistent by about 1,5 mK in the sense that either the melting point of Ga or the triple point of Hg was assigned too high a value on the ITS-90.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

International Nuclear Information System (INIS)

Omar, M.S.

2012-01-01

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å 3 for bulk to 57 Å 3 for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10 −6 K −1 for a bulk crystal down to a minimum value of 0.1 × 10 −6 K −1 for a 6 nm diameter nanoparticle.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

Energy Technology Data Exchange (ETDEWEB)

Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

2012-11-15

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

Evolution of the vortex phase diagram in YBa2Cu3O7-δ with random point disorder

International Nuclear Information System (INIS)

Paulius, L. M.; Kwok, W.-K.; Olsson, R. J.; Petrean, A. M.; Tobos, V.; Fendrich, J. A.; Crabtree, G. W.; Burns, C. A.; Ferguson, S.

2000-01-01

We demonstrate the gradual evolution of the first-order vortex melting transition into a continuous transition with the systematic addition of point disorder induced by proton irradiation. The evolution occurs via the decrease of the upper critical point and the increase of the lower critical point. The collapse of the first-order melting transition occurs when the two critical points merge. We compare these results with the effects of electron irradiation on the first-order transition. (c) 2000 The American Physical Society

Effect of tellurium on viscosity and liquid structure of GaSb melts

Energy Technology Data Exchange (ETDEWEB)

Ji Leilei [School of Material Science and Engineering, Jinan University, Jinan 250022 (China); Geng Haoran [School of Material Science and Engineering, Jinan University, Jinan 250022 (China)], E-mail: mse_genghr@ujn.edu.cn; Sun Chunjing [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Teng Xinying; Liu Yamei [School of Material Science and Engineering, Jinan University, Jinan 250022 (China)

2008-04-03

The behavior of GaSb melt with tellurium addition was investigated using viscometer and differential scanning calorimetry (DSC). Normally, the viscosity of all melts measured decreased with the increasing temperature. However, anomalous transition points were observed in the temperature dependence of viscosity for Ga-Sb-Te system. Corresponded with the abnormal points on the viscosity-temperature curves, there were thermal effect peaks on the DSC curves. Furthermore, viscous activation energy and flow units of these melts and their structural features were discussed in this paper.

Communication: Glass transition and melting lines of an ionic liquid

Science.gov (United States)

Lima, Thamires A.; Faria, Luiz F. O.; Paschoal, Vitor H.; Ribeiro, Mauro C. C.

2018-05-01

The phase diagram of the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesufonyl)imide, [Pyrr1,4][NTf2], was explored by synchroton X-ray diffraction and Raman scattering measurements as a function of temperature and pressure. Glass transition Tg(p) and melting Tm(p) temperatures were obtained from atmospheric pressure up to ca. 2.0 GPa. We found that both the Tg(p) and Tm(p) curves follow essentially the same pressure dependence. The similarity of pressure coefficients, dTg/dp ≈ dTm/dp, is explained within the non-equilibrium thermodynamics approach for the glass transition by assuming that one of the Ehrenfest equations is appropriated for Tg(p), whereas Tm(p) follows the Clausius-Clapeyron equation valid for the first-order transitions. The results highlight that ionic liquids are excellent model systems to address fundamental questions related to the glass transition.

Improvement of gel strength and melting point of fish gelatin by addition of coenhancers using response surface methodology.

Science.gov (United States)

Koli, Jayappa M; Basu, Subrata; Nayak, Binay B; Kannuchamy, Nagalakshmi; Gudipati, Venkateshwarlu

2011-08-01

Fish gelatin is a potential alternative to mammalian gelatin. However, poor gel strength and low melting point limit its applications. The study was aimed at improving these properties by adding coenhancers in the range obtained from response surface methodology (RSM) by using Box-Behnken design. Three different coenhancers, MgSO₄, sucrose, and transglutaminase were used as the independent variables for improving the gel strength and melting point of gelatin extracted from Tiger-toothed croaker (Otolithes ruber). Addition of coenhancers at different combinations resulted gel strength and melting point in the range of 150.5 to 240.5 g and 19.5 to 22.5 °C, respectively. The optimal concentrations of coenhancers for predicted maximum gel strength (242.8 g) obtained by RSM were 0.23 M MgSO₄, 12.60% sucrose (w/v), and 5.92 mg/g transglutaminase and for predicted maximum melting point (22.57 °C), the values were 0.24 M MgSO₄, 10.44% sucrose (w/v), and 5.72 mg/g transglutaminase. By addition of coenhancers at these optimal concentrations in verification experiments, the gel strength and melting point were improved from 170 to 240.89 g and 20.3 to 22.7 °C, respectively. These experimental values agreed well with the predicted values demonstrating the fitness of the models. Results from the present study clearly revealed that the addition of coenhancers at a particular combination can improve the gel strength and melting point of fish gelatin to enhance its range of applications. There is a growing interest in the use of fish gelatin as an alternative to mammalian gelatin. However, poor gel strength and low melting point of fish gelatin have limited its commercial applications. The gel strength and melting point of fish gelatin can be increased by incorporation of coenhancers such as magnesium sulphate, sucrose, and transglutaminase. Results of this work help to produce the fish gelatin suitable for wide range of applications in the food industry. © 2011 Institute

Erythritol: crystal growth from the melt.

Science.gov (United States)

Lopes Jesus, A J; Nunes, Sandra C C; Ramos Silva, M; Matos Beja, A; Redinha, J S

2010-03-30

The structural changes occurring on erythritol as it is cooled from the melt to low temperature, and then heated up to the melting point have been investigated by differential scanning calorimetry (DSC), polarized light thermal microscopy (PLTM), X-ray powder diffraction (PXRD) and Fourier transform infrared spectroscopy (FTIR). By DSC, it was possible to set up the conditions to obtain an amorphous solid, a crystalline solid, or a mixture of both materials in different proportions. Two crystalline forms have been identified: a stable and a metastable one with melting points of 117 and 104 degrees C, respectively. The fusion curve decomposition of the stable form revealed the existence of three conformational structures. The main paths of the crystallization from the melt were followed by PLTM. The texture and colour changes allowed the characterization of the different phases and transitions in which they are involved on cooling as well as on heating processes. The type of crystallization front and its velocity were also followed by microscopic observation. These observations, together with the data provided by PXRD, allowed elucidating the transition of the metastable form into the stable one. The structural changes occurring upon the cooling and subsequent heating processes, namely those arising from intermolecular hydrogen bonds, were also accompanied by infrared spectroscopy. Particular attention was given to the spectral changes occurring in the OH stretching region. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Self-diffusion at the melting point: From H2 and N2 to liquid metals

International Nuclear Information System (INIS)

Armstrong, B.H.

1992-01-01

A nominal lower bound to the mean free diffusion time at the melting point T m was obtained earlier which provided a factor-two type estimate for self-diffusion coefficients of the alkali halides, alkali metals, eight other metals, and Ar. The argument was based on the classical Uncertainty Principle applied to the solid crystal, whereby maximum-frequency phonons lose validity as collective excitations and degenerate into aperiodic, single-particle diffusive motion at the melting point. Because of the short time scale of this motion, the perfect-gas diffusion equation and true mass can be used to obtain the self-diffusion coefficient in the Debye approximation to the phonon spectrum. This result for the self-diffusion coefficient also yields the scale factor that determines the order of magnitude of liquid self-diffusion coefficients, which has long been an open question. The earlier theory is summarized and clarified, and the results extended to the more complex molecular liquids H 2 and N 2 . It is also demonstrated that combining Lindemann's melting law with the perfect-gas diffusion equation estimate yields a well-known empirical expression for liquid-metal self-diffusion at T m . Validity of the self-diffusion estimate over a melting temperature range from 14 to more than 1,300 K and over a wide variety of crystals provides strong confirmation for the existence of the specialized diffusive motion at the melting point, as well as confirmation of a relation between the phonon spectrum of the solid crystal and diffusive motion in the melt. 21 refs., 2 tabs

A metastable liquid melted from a crystalline solid under decompression

Science.gov (United States)

Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis; Shen, Guoyin

2017-01-01

A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid-solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. The decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure-temperature region similar to where the supercooled liquid Bi is observed. Akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought.

Effect of nitrogen pressure on melting point of ZrNsub(x)

International Nuclear Information System (INIS)

Eronyan, M.A.; Avarbeh, R.G.; Nikol'skaya, T.A.

1976-01-01

The investigations were performed in an airtight water-cooled chamber in the nitrogen pressure range of 10 -3 -100 atm and at 2600-3700 0 C. The nitrogen pressure in the range 10 -3 -10 -2 atm was measured by a differential oil-pressure gauge, in the range 10 -2 -10 -1 atm by a differential mercury-pressure gauge, and in the range from 0.1 to 100 atm by a membrane manometer. The temperature of the specimens was measured to within +-1% by an optical pyrometer. The nitrogen and oxygen contents of ZrNsub(x) were determined by extraction gas chromatography to within 0.2 and 0.05 wt.% for nitrogen and oxygen, respectively. The dependence of the incongruent melting point of ZrNsub(x) on the equilibrium pressure of nitrogen in the range 10 -3 -60 atm was established. It was found that the pressure of oxygen as impurity in ZrNsub(x) greatly reduces its melting point

Numerical simulation of hot-melt extrusion processes for amorphous solid dispersions using model-based melt viscosity.

Science.gov (United States)

Bochmann, Esther S; Steffens, Kristina E; Gryczke, Andreas; Wagner, Karl G

2018-03-01

Simulation of HME processes is a valuable tool for increased process understanding and ease of scale-up. However, the experimental determination of all required input parameters is tedious, namely the melt rheology of the amorphous solid dispersion (ASD) in question. Hence, a procedure to simplify the application of hot-melt extrusion (HME) simulation for forming amorphous solid dispersions (ASD) is presented. The commercial 1D simulation software Ludovic ® was used to conduct (i) simulations using a full experimental data set of all input variables including melt rheology and (ii) simulations using model-based melt viscosity data based on the ASDs glass transition and the physical properties of polymeric matrix only. Both types of HME computation were further compared to experimental HME results. Variation in physical properties (e.g. heat capacity, density) and several process characteristics of HME (residence time distribution, energy consumption) among the simulations and experiments were evaluated. The model-based melt viscosity was calculated by using the glass transition temperature (T g ) of the investigated blend and the melt viscosity of the polymeric matrix by means of a T g -viscosity correlation. The results of measured melt viscosity and model-based melt viscosity were similar with only few exceptions, leading to similar HME simulation outcomes. At the end, the experimental effort prior to HME simulation could be minimized and the procedure enables a good starting point for rational development of ASDs by means of HME. As model excipients, Vinylpyrrolidone-vinyl acetate copolymer (COP) in combination with various APIs (carbamazepine, dipyridamole, indomethacin, and ibuprofen) or polyethylene glycol (PEG 1500) as plasticizer were used to form the ASDs. Copyright © 2017 Elsevier B.V. All rights reserved.

Size-dependent melting modes and behaviors of Ag nanoparticles: a molecular dynamics study

Science.gov (United States)

Liang, Tianshou; Zhou, Dejian; Wu, Zhaohua; Shi, Pengpeng

2017-12-01

The size-dependent melting behaviors and mechanisms of Ag nanoparticles (NPs) with diameters of 3.5-16 nm were investigated by molecular dynamics (MD). Two distinct melting modes, non-premelting and premelting with transition ranges of about 7-8 nm, for Ag NPs were demonstrated via the evolution of distribution and transition of atomic physical states during annealing. The small Ag NPs (3.5-7 nm) melt abruptly without a stable liquid shell before the melting point, which is characterized as non-premelting. A solid-solid crystal transformation is conducted through the migration of adatoms on the surface of Ag NPs with diameters of 3.5-6 nm before the initial melting, which is mainly responsible for slightly increasing the melting point of Ag NPs. On the other hand, surface premelting of Ag NPs with diameters of 8-16 nm propagates from the outer shell to the inner core with initial anisotropy and late isotropy as the temperature increases, and the close-packed facets {111} melt by a side-consumed way which is responsible for facets {111} melting in advance relative to the crystallographic plane {111}. Once a stable liquid shell is formed, its size-independent minimum thickness is obtained, and a three-layer structure of atomic physical states is set up. Lastly, the theory of point defect-pair (vacancy-interstitial) severing as the mechanism of formation and movement of the solid-liquid interface was also confirmed. Our study provides a basic understanding and theoretical guidance for the research, production and application of Ag NPs.

Predicting the enthalpies of melting and vaporization for pure components

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2014-12-01

A mathematical model of the melting and vaporization enthalpies of organic components based on the theory of thermodynamic similarity is proposed. In this empirical model, the phase transition enthalpy for the homological series of n-alkanes, carboxylic acids, n-alcohols, glycols, and glycol ethers is presented as a function of the molecular mass, the number of carbon atoms in a molecule, and the normal transition temperature. The model also uses a critical or triple point temperature. It is shown that the results from predicting the melting and vaporization enthalpies enable the calculation of binary phase diagrams.

Effect of deposition rate on melting point of copper film catalyst substrate at atomic scale

Science.gov (United States)

Marimpul, Rinaldo; Syuhada, Ibnu; Rosikhin, Ahmad; Winata, Toto

2018-03-01

Annealing process of copper film catalyst substrate was studied by molcular dynamics simulation. This copper film catalyst substrate was produced using thermal evaporation method. The annealing process was limited in nanosecond order to observe the mechanism at atomic scale. We found that deposition rate parameter affected the melting point of catalyst substrate. The change of crystalline structure of copper atoms was observed before it had been already at melting point. The optimum annealing temperature was obtained to get the highest percentage of fcc structure on copper film catalyst substrate.

Influence of vacancies on the melting transition of hard disks in two dimensions

NARCIS (Netherlands)

Bates, M.A.; Frenkel, D.

1999-01-01

We present the results of molecular dynamics simulations of two-dimensional (2D) hard disk systems in the vicinity of melting. The simulations are used to calculate the elastic constants, which can be used to estimate the location of the Kosterlitz-Thouless dislocation unbinding transition.

Melting point gram-atomic volumes and enthalpies of atomization for liquid elements

International Nuclear Information System (INIS)

Lamoreaux, R.H.

1976-01-01

Values of the gram-atomic volumes and enthalpies of atomization to the monatomic ideal gas state for liquid elements at their melting points are collected to facilitate predictions of the behavior of mixed systems. Estimated values are given for experimentally undetermined quantities

Low-melting point inorganic nitrate salt heat transfer fluid

Science.gov (United States)

Bradshaw, Robert W [Livermore, CA; Brosseau, Douglas A [Albuquerque, NM

2009-09-15

A low-melting point, heat transfer fluid made of a mixture of four inorganic nitrate salts: 9-18 wt % NaNO.sub.3, 40-52 wt % KNO.sub.3, 13-21 wt % LiNO.sub.3, and 20-27 wt % Ca(NO.sub.3).sub.2. These compositions can have liquidus temperatures less than 100 C; thermal stability limits greater than 500 C; and viscosity in the range of 5-6 cP at 300 C; and 2-3 cP at 400 C.

Preparation of 147Pm metal and the determination of the melting point and phase transformation temperatures

International Nuclear Information System (INIS)

Angelini, P.; Adair, H.L.

1976-07-01

The promethium metal used in the determination of the melting point and phase transformation temperatures was prepared by reduction of promethium oxide with thorium metal at 1600 0 C and distilling the promethium metal into a quartz dome. The melting point and phase transformation temperatures of promethium metal were found to be 1042 +- 5 0 C and 890 +- 5 0 C, respectively. The ratio for the heat of the high-temperature transformation to the heat of fusion was determined to be 0.415

Determination of melting point of vegetable oils and fats by differential scanning calorimetry (DSC technique.

Directory of Open Access Journals (Sweden)

Nassu, Renata Tieko

1999-02-01

Full Text Available Melting point of fats is used to characterize oils and fats and is related to their physical properties, such as hardness and thermal behaviour. The present work shows the utilization of DSC technique on the determination of melting point of fats. In a comparison with softening point (AOCS method Cc 3-25, DSC values were higher than those obtained by AOCS method. It has occurred due to the fact that values obtained by DSC technique were taken when the fat had melted completely. DSC was also useful for determining melting point of liquid oils, such as soybean and cottonseed ones.

El punto de fusión de grasas es usado para caracterizar aceites y grasas, y está relacionado con sus propiedades físicas, tales como dureza y comportamiento térmico. El presente trabajo muestra la utilización de la técnica de Calorimetría Diferencial de Barrido (DSC en la determinación del punto de fusión de grasas. En comparación con el punto de ablandamiento (AOCS método Cc 3-25, los valores de DSC fueron más altos que los obtenidos por los métodos de AOCS. Esto ha ocurrido debido al hecho que los valores obtenidos por la técnica de DSC fueron tomados cuando la grasa había fundido completamente. DSC fue también útil para determinar puntos de fusión de aceites líquidos, tales como los de soya y algodón.

New Approach in Filling of Fixed-Point Cells: Case Study of the Melting Point of Gallium

Science.gov (United States)

Bojkovski, J.; Hiti, M.; Batagelj, V.; Drnovšek, J.

2008-02-01

The typical way of constructing fixed-point cells is very well described in the literature. The crucible is loaded with shot, or any other shape of pure metal, inside an argon-filled glove box. Then, the crucible is carefully slid into a fused-silica tube that is closed at the top with an appropriate cap. After that, the cell is removed from the argon glove box and melted inside a furnace while under vacuum or filled with an inert gas like argon. Since the metal comes as shot, or in some other shape such as rods of various sizes, and takes more volume than the melted material, it is necessary to repeat the procedure until a sufficient amount of material is introduced into the crucible. With such a procedure, there is the possibility of introducing additional impurities into the pure metal with each cycle of melting the material and putting it back into the glove box to fill the cell. Our new approach includes the use of a special, so-called dry-box system, which is well known in chemistry. The atmosphere inside the dry box contains less than 20 ppm of water and less than 3 ppm of oxygen. Also, the size of the dry box allows it to contain a furnace for melting materials, not only for gallium but for higher-temperature materials as well. With such an approach, the cell and all its parts (pure metal, graphite, fused-silica tube, and cap) are constantly inside the controlled atmosphere, even while melting the material and filling the crucible. With such a method, the possibility of contaminating the cell during the filling process is minimized.

Thermophysical Properties and Structural Transition of Hg(0.8)Cd(0.2)Te Melt

Science.gov (United States)

Li, C.; Scripa, R. N.; Ban, H.; Lin, B.; Su, C.; Lehoczky, S. L.

2004-01-01

Thermophysical properties, namely, density, viscosity, and electrical conductivity of Hg(sub o.8)Cd(sub 0.2)Te melt were measured as a function of temperature. A pycnometric method was used to measure the melt density in the temperature range of 1072 to 1122 K. The viscosity and electrical conductivity were simultaneously determined using a transient torque method from 1068 to 1132 K. The density result from this study is within 0.3% of the published data. However, the current viscosity result is approximately 30% lower than the existing data. The electrical conductivity of Hg(sub o.8)Cd(sub 0.2)Te melt as a function of temperature, which is not available in the literature, is also determined. The analysis of the temperature dependent electrical conductivity and the relationship between the kinematic viscosity and density indicated that the structure of the melt appeared to be homogeneous when the temperature was above 1090 K. A structural transition occurred in the Hg(sub 0.8)Cd(0.2)Te melt as the temperature was decreased from 1090 K to the liquidus temperature.

Molecular dynamics calculations of the thermal expansion properties and melting points of Si and Ge

International Nuclear Information System (INIS)

Timon, V; Brand, S; Clark, S J; Abram, R A

2006-01-01

The thermal expansion properties and melting points of silicon and germanium are calculated using molecular dynamics simulations within the density functional theory framework. An isothermal-isobaric (NPT) ensemble is considered in a periodic system with a relatively small number of particles per unit cell to obtain the thermal expansion data over a range of temperatures, and it is found that the calculated thermal expansion coefficients and bond lengths agree well with experimental data. Also, the positions of discontinuities in the potential energy as a function of temperature are in good agreement with the experimental melting points

Degradation mechanism and thermal stability of urea nitrate below the melting point

International Nuclear Information System (INIS)

Desilets, Sylvain; Brousseau, Patrick; Chamberland, Daniel; Singh, Shanti; Feng, Hongtu; Turcotte, Richard; Anderson, John

2011-01-01

Highlights: → Decomposition mechanism of urea nitrate. → Spectral characterization of the decomposition mechanism. → Thermal stability of urea nitrate at 50, 70 and 100 o C. → Chemical balance of decomposed products released. - Abstract: Aging and degradation of urea nitrate below the melting point, at 100 o C, was studied by using thermal analysis and spectroscopic methods including IR, Raman, 1 H and 13 C NMR techniques. It was found that urea nitrate was completely degraded after 72 h at 100 o C into a mixture of solids (69%) and released gaseous species (31%). The degradation mechanism below the melting point was clearly identified. The remaining solid mixture was composed of ammonium nitrate, urea and biuret while unreacted residual nitric and isocyanic acids as well as traces of ammonia were released as gaseous species at 100 o C. The thermal stability of urea nitrate, under extreme storage conditions (50 o C), was also examined by isothermal nano-calorimetry.

Explore Stochastic Instabilities of Periodic Points by Transition Path Theory

Science.gov (United States)

Cao, Yu; Lin, Ling; Zhou, Xiang

2016-06-01

We consider the noise-induced transitions from a linearly stable periodic orbit consisting of T periodic points in randomly perturbed discrete logistic map. Traditional large deviation theory and asymptotic analysis at small noise limit cannot distinguish the quantitative difference in noise-induced stochastic instabilities among the T periodic points. To attack this problem, we generalize the transition path theory to the discrete-time continuous-space stochastic process. In our first criterion to quantify the relative instability among T periodic points, we use the distribution of the last passage location related to the transitions from the whole periodic orbit to a prescribed disjoint set. This distribution is related to individual contributions to the transition rate from each periodic points. The second criterion is based on the competency of the transition paths associated with each periodic point. Both criteria utilize the reactive probability current in the transition path theory. Our numerical results for the logistic map reveal the transition mechanism of escaping from the stable periodic orbit and identify which periodic point is more prone to lose stability so as to make successful transitions under random perturbations.

Image analysis of speckle patterns as a probe of melting transitions in laser-heated diamond anvil cell experiments.

Science.gov (United States)

Salem, Ran; Matityahu, Shlomi; Melchior, Aviva; Nikolaevsky, Mark; Noked, Ori; Sterer, Eran

2015-09-01

The precision of melting curve measurements using laser-heated diamond anvil cell (LHDAC) is largely limited by the correct and reliable determination of the onset of melting. We present a novel image analysis of speckle interference patterns in the LHDAC as a way to define quantitative measures which enable an objective determination of the melting transition. Combined with our low-temperature customized IR pyrometer, designed for measurements down to 500 K, our setup allows studying the melting curve of materials with low melting temperatures, with relatively high precision. As an application, the melting curve of Te was measured up to 35 GPa. The results are found to be in good agreement with previous data obtained at pressures up to 10 GPa.

A noise thermometry investigation of the melting point of gallium at the NIM

Science.gov (United States)

Zhang, J. T.; Xue, S.

2006-06-01

This paper describes a study of the melting point of gallium with the new NIM Johnson noise thermometer (JNT). The new thermometer adopts the structure of switching correlator and commutator with the reference resistor maintained at the triple point of water. The electronic system of the new thermometer is basically the same as the current JNT, but the preamplifiers have been improved slightly. This study demonstrates that examining the characteristics of the noise signals in the frequency domain is of critical importance in constructing an improved new thermometer, where a power spectral analysis is found to be critical in establishing appropriate grounding for the new thermometer. The new JNT is tested on measurements of the thermodynamic temperature of the melting point of gallium, which give the thermodynamic temperature of 302.9160 K, with an overall integration time of 190 h and a combined standard uncertainty of 9.4 mK. The uncertainty analysis indicates that a standard combined uncertainty of 3 mK could be achieved with the new thermometer over an integration period of 1750 h.

An assessment of the melting, boiling, and critical point data of the alkali metals

International Nuclear Information System (INIS)

Ohse, R.W.; Babelot, J.F.; Magill, J.

1985-01-01

The measured melting, boiling and critical point data of the alkali metals are reviewed. Emphasis has been given to the assessment of the critical point data. The main experimental techniques for measurements in the critical region are described. The selected data are given. Best estimates of the critical constants of lithium are given. (author)

Conductivity and thermodynamic characteristic of superionic transition in strontium chloride

International Nuclear Information System (INIS)

Voronin, B.M.; Prisyazhnyj, V.D.

1989-01-01

Electric conductivity of strontium polycrystalline chloride in the wide temperature range including melting point is measured. Reciprocally caused anomalous behaviour of kinetic and thermodynamic properties, which relates to peculiarities of salt transition to a superionic state is established in the region of high temperatures. Thermodynamic functions corresponding to crystal anion sublattice disordering are determined and characterized. Comparative analysis of data on strontium chloride and other structural-like salts testifies about step-by-step washing-out character of superionic transition, and the depth of transition (the degree of disordering) reached at melting points relates regularly to relative sizes of cations and anions in the fluorite lattice

On the glass transition of the one-component metallic melts

Czech Academy of Sciences Publication Activity Database

Fedorchenko, Alexander I.

2017-01-01

Roč. 475, October (2017), s. 362-367 ISSN 0022-0248 Institutional support: RVO:61388998 Keywords : equilibrium and non-equilibrium solidification * criterion of the phase transition scenario * one-component metal melts Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 1.751, year: 2016 http://ac.els-cdn.com/S0022024817304281/1-s2.0-S0022024817304281-main.pdf?_tid=a12ba97e-873b-11e7-b6be-00000aacb35e&acdnat=1503407763_5cdbcdb15d504baf5f8dfb94886b3100

On extreme on the line of phase transition of the first type

International Nuclear Information System (INIS)

Magomedov, M.N.

1995-01-01

Equations describing behavior of thermodynamic parameters in extreme points on primary phase transition line were derived. The equations were employed to estimate the jump is isothermal compressibility in the point of maximum of bcc-cesium melting curve as well as to estimate the jump of isobaric heat capacity in the minimum point on helium-3 melting curve. 13 refs

Transition metal ions in silicate melts. I. Manganese in sodium silicate melts

Energy Technology Data Exchange (ETDEWEB)

Nelson, C; White, W B

1980-01-01

Optical absorption spectra obtained on glasses quenched from sodium silicate melts show Mn/sup 3 +/ to be the dominant species for melts heated in air and Mn/sup 2 +/ to be the dominant species for melts heated at P/sub O/sub 2// = 10/sup -17/ bar. The absorption spectrum of Mn/sup 3 +/ consists of an intense band at 20,000 cm/sup -1/ with a 15,000 cm/sup -1/ satellite possibly arising from the Jahn-Teller effect. The independence of the spectrum from melt composition and the high band intensity is offered as evidence for a distinct Mn/sup 3 +/ complex in the melt. The spectrum of Mn/sup 2 +/ is weak and many expected bands are not observed. A two-band luminescence spectrum from Mn/sup 2 +/ has been tentatively interpreted as due to Mn/sup 2 +/ in interstitial sites in the network and Mn/sup 2 +/ coordiated by non-bridging oxygens.

Raman spectroscopy study of the crystal - melt phase transition of lanthanum, cerium and neodymium trichlorides

International Nuclear Information System (INIS)

Zakir'yanova, I.D.; Salyulev, A.B.

2007-01-01

Systematic structural studies of crystalline (over a wide temperature range) and molten LaCl 3 , CeCl 3 , and NdCl 3 salts (near the crystal-melt phase transition temperature) are conducted employing Raman spectroscopy. A change in the trend of temperature dependences of characteristic frequencies is revealed in the pre-melting region of the compounds. This is attributed to an increase in the number of crystal defects due to weakening of a part of Ln-Cl bonds and decreasing of coordination number of chloride anions in the vicinity of rare earth cation [ru

Phase transitions and glass transition in a hyperquenched silica–alumina glass

DEFF Research Database (Denmark)

Zhang, Y.F.; Zhao, D.H.; Yue, Yuanzheng

2017-01-01

We investigate phase transitions, glass transition, and dynamic behavior in the hyperquenched 69SiO2–31Al2O3 (mol%) glass (SA glass). Upon reheating, the SA glass exhibits a series of thermal responses. Subsequent to the sub-Tg enthalpy release, the glass undergoes a large jump in isobaric heat...... capacity (ΔCp) during glass transition, implying the fragile nature of the SA glass. The mullite starts to form before the end of glass transition, indicating that the SA glass is extremely unstable against crystallization. After the mullite formation, the remaining glass phase exhibits an increased Tg...... and a suppressed ΔCp. The formation of cristobalite at 1553 K indicates the dominance of silica in the remaining glass matrix. The cristobalite gradually re-melts as the isothermal heat-treatment temperature is raised from 1823 to 1853 K, which is well below the melting point of cristobalite, while the amount...

Inverse shear viscosity (fluidity) scaled with melting point properties: Almost 'universal' behaviour of heavier alkalis

International Nuclear Information System (INIS)

Tankeshwar, K.; March, N.H.

1997-07-01

Some numerical considerations relating to the potential of mean force at the melting point of Rb metal are first presented, which argue against the existence of a well defined activation energy for the shear viscosity of this liquid. Therefore, a scaling approach is developed, based on a well established formula for the viscosity η m of sp liquid metals at their melting points T m . This approach is shown to lead to an 'almost' universal plot of scaled fluidity η -1 η m against (T/T m ) 1/2 for the liquid alkali metals, excluding Li. This metal is anomalous because it is a strong scattering liquid, in marked contrast to the other alkali metals. (author). 9 refs, 3 figs, 1 tab

Melting of KCl and pressure calibration from in situ ionic conductivity measurements in a multi-anvil apparatus

Science.gov (United States)

Li, J.; Dong, J.; Zhu, F.

2017-12-01

Melting plays an unparalleled role in planetary differentiation processes including the formation of metallic cores, basaltic crusts, and atmospheres. Knowledge of the melting behavior of Earth materials provides critical constraints for establishing the Earth's thermal structure, interpreting regional seismic anomalies, and understanding the nature of chemical heterogeneity. Measuring the melting points of compressed materials, however, have remained challenging mainly because melts are often mobile and reactive, and temperature and pressure gradients across millimeter or micron-sized samples introduce large uncertainties in melting detection. Here the melting curve of KCl was determined through in situ ionic conductivity measurements, using the multi-anvil apparatus at the University of Michigan. The method improves upon the symmetric configuration that was used recently for studying the melting behaviors of NaCl, Na2CO3, and CaCO3 (Li and Li 2015 American Mineralogist, Li et al. 2017 Earth and Planetary Science Letters). In the new configuration, the thermocouple and electrodes are placed together with the sample at the center of a cylindrical heater where the temperature is the highest along the axis, in order to minimize uncertainties in temperature measurements and increase the stability of the sample and electrodes. With 1% reproducibility in melting point determination at pressures up to 20 GPa, this method allows us to determine the sample pressure to oil load relationship at high temperatures during multiple heating and cooling cycles, on the basis of the well-known melting curves of ionic compounds. This approach enables more reliable pressure measurements than relying on a small number of fixed-point phase transitions. The new data on KCl bridge the gap between the piston-cylinder results up to 4 GPa (Pistorius 1965 J. of Physics and Chemistry of Solids) and several diamond-anvil cell data points above 20 GPa (Boehler et al. 1996 Physical Review). We

Olivine/melt transition metal partitioning, melt composition, and melt structure—Melt polymerization and Qn-speciation in alkaline earth silicate systems

Science.gov (United States)

Mysen, Bjorn O.

2008-10-01

The two most abundant network-modifying cations in magmatic liquids are Ca 2+ and Mg 2+. To evaluate the influence of melt structure on exchange of Ca 2+ and Mg 2+ with other geochemically important divalent cations ( m-cations) between coexisting minerals and melts, high-temperature (1470-1650 °C), ambient-pressure (0.1 MPa) forsterite/melt partitioning experiments were carried out in the system Mg 2SiO 4-CaMgSi 2O 6-SiO 2 with ⩽1 wt% m-cations (Mn 2+, Co 2+, and Ni 2+) substituting for Ca 2+ and Mg 2+. The bulk melt NBO/Si-range ( NBO/Si: nonbridging oxygen per silicon) of melt in equilibrium with forsterite was between 1.89 and 2.74. In this NBO/Si-range, the NBO/Si(Ca) (fraction of nonbridging oxygens, NBO, that form bonds with Ca 2+, Ca 2+- NBO) is linearly related to NBO/Si, whereas fraction of Mg 2+- NBO bonds is essentially independent of NBO/Si. For individual m-cations, rate of change of KD( m-Mg) with NBO/Si(Ca) for the exchange equilibrium, mmelt + Mg olivine ⇌ molivine + Mg melt, is linear. KD( m-Mg) decreases as an exponential function of increasing ionic potential, Z/ r2 ( Z: formal electrical charge, r: ionic radius—here calculated with oxygen in sixfold coordination around the divalent cations) of the m-cation. The enthalpy change of the exchange equilibrium, Δ H, decreases linearly with increasing Z/ r2 [Δ H = 261(9)-81(3)· Z/ r2 (Å -2)]. From existing information on (Ca,Mg)O-SiO 2 melt structure at ambient pressure, these relationships are understood by considering the exchange of divalent cations that form bonds with nonbridging oxygen in individual Qn-species in the melts. The negative ∂ KD( m-Mg) /∂( Z/ r2) and ∂(Δ H)/∂( Z/ r2) is because increasing Z/ r2 is because the cations forming bonds with nonbridging oxygen in increasingly depolymerized Qn-species where steric hindrance is decreasingly important. In other words, principles of ionic size/site mismatch commonly observed for trace and minor elements in crystals, also

Influence of the Cavity Length on the Behavior of Hybrid Fixed-Point Cells Constructed at INRIM

Science.gov (United States)

Battuello, M.; Girard, F.; Florio, M.

2015-03-01

Hybrid cells with double carbon/carbon sheets are used at the Istituto Nazionale di Ricerca Metrologica (INRIM) for the realization of both pure metal fixed points and high-temperature metal-carbon eutectic points. Cells for the Cu and Co-C fixed points have been prepared to be used in the high-temperature fixed-point project of the Comité Consultatif de Thermométrie. The results of the evaluation processes were not completely satisfactory for the INRIM cells because of their low transition temperatures with respect to the best cells, and of a rather large melting range for the Co-C cell. A new design of the cells was devised, and considerable improvements were achieved with respect to the transition temperature, and the plateau shape and duration. As for the Cu point, the duration of the freezing plateaux increased by more than 50 % and the freezing temperature increased by 18 mK. As for the Co-C point, the melting temperature, expressed in terms of the point of inflection of the melting curve, increased by about 70 mK. The melting range of the plateaux, expressed as a difference was reduced from about 180 mK to about 130 mK, with melting times increased by about 50 %, as a consequence of an improvement of flatness and run-off of the plateaux.

Angular forces and melting in bcc transition metals: A case study of molybdenum

International Nuclear Information System (INIS)

Moriarty, J.A.

1994-01-01

Both the multi-ion and effective pair potentials also permit a large amount of supercooling of the liquid before the onset of freezing. With v 2 eff a bcc structure is nucleated at freezing, while with the multi-ion potentials an amorphous glasslike structure is obtained, which appears to be related to the energetically competitive A15 structure. In our second approach to melting, the multi-ion potentials have been used to obtain accurate solid and liquid free energies from quasiharmonic lattice dynamics and MD calculations of thermal energies and pressures. The resulting ion-thermal melting curve exactly overlaps the dynamically observed melting point, indicating that no superheating of the solid occurred in our MD simulations. To obtain a full melting curve, electron-thermal contributions to the solid and liquid free energies are added in terms of the density of electronic states at the Fermi level, ρ(E F ). Here the density of states for the solid has been calculated with the linear-muffin-tin-orbital method, while for the liquid tight-binding calculations have been used to justify a simple model. In the liquid ρ(E F ) is increased dramatically over the bcc solid, and the net effect of the electron-thermal contributions is to lower the calculated melting temperatures by about a factor of 2. A full melting curve to 2 Mbar has thereby been obtained and the calculated melting properties near zero pressure are in generally good agreement with experiment

Direct observation of the transition from free to constrained single segment motion in entangled polymer melts

International Nuclear Information System (INIS)

Monkenbusch, M.; Wischnewski, A.; Willner, L.; Richter, D.

2004-01-01

Incoherent neutron-spin-echo spectroscopy (NSE) has been employed to directly determine the time-dependent mean-squared segment displacement 2 > of a polymer chain in the melt covering the transition from free to constraint Rouse relaxation along the virtual tube of the reptation model. The predicted transition of the time dependence of 2 > from 2 >∝t 1/2 to ∝t 1/4 is clearly corroborated by the incoherent NSE results

Freezing of a modulated liquid: The superionic-to-normal transition of strontium chloride

International Nuclear Information System (INIS)

Rovere, M.; Tosi, M.P.; Trieste Univ.

1985-05-01

The anionic component in SrCl 2 near melting is treated as a modulated liquid in the periodic potential of the sublattice of cations. With decreasing temperature from the melting point, we find a diffuse disorder-order phase transition. The calculated behaviours of the order parameter and of thermodynamic properties approximate those observed for SrCl 2 across its superionic transition. (author)

Exceptional Points and Dynamical Phase Transitions

Directory of Open Access Journals (Sweden)

I. Rotter

2010-01-01

Full Text Available In the framework of non-Hermitian quantum physics, the relation between exceptional points,dynamical phase transitions and the counter intuitive behavior of quantum systems at high level density is considered. The theoretical results obtained for open quantum systems and proven experimentally some years ago on a microwave cavity, may explain environmentally induce deffects (including dynamical phase transitions, which have been observed in various experimental studies. They also agree(qualitatively with the experimental results reported recently in PT symmetric optical lattices.

Melting of size-selected gallium clusters with 60-183 atoms.

Science.gov (United States)

Pyfer, Katheryne L; Kafader, Jared O; Yalamanchali, Anirudh; Jarrold, Martin F

2014-07-10

Heat capacities have been measured as a function of temperature for size-selected gallium cluster cations with between 60 and 183 atoms. Almost all clusters studied show a single peak in the heat capacity that is attributed to a melting transition. The peaks can be fit by a two-state model incorporating only fully solid-like and fully liquid-like species, and hence no partially melted intermediates. The exceptions are Ga90(+), which does not show a peak, and Ga80(+) and Ga81(+), which show two peaks. For the clusters with two peaks, the lower temperature peak is attributed to a structural transition. The melting temperatures for clusters with less than 50 atoms have previously been shown to be hundreds of degrees above the bulk melting point. For clusters with more than 60 atoms the melting temperatures decrease, approaching the bulk value (303 K) at around 95 atoms, and then show several small upward excursions with increasing cluster size. A plot of the latent heat against the entropy change for melting reveals two groups of clusters: the latent heats and entropy changes for clusters with less than 94 atoms are distinct from those for clusters with more than 93 atoms. This observation suggests that a significant change in the nature of the bonding or the structure of the clusters occurs at 93-94 atoms. Even though the melting temperatures are close to the bulk value for the larger clusters studied here, the latent heats and entropies of melting are still far from the bulk values.

Explaining Melting and Evaporation below Boiling Point. Can Software Help with Particle Ideas?

Science.gov (United States)

Papageorgiou, George; Johnson, Philip; Fotiades, Fotis

2008-01-01

This paper reports the findings of a study exploring the use of a software package to help pupils understand particulate explanations for melting and evaporation below boiling point. Two matched classes in a primary school in Greece (ages 11-12, n = 16 and 19) were involved in a short intervention of six one hour lessons. Covering the same…

Simulation of melt spreading in consideration of phase transitions

Energy Technology Data Exchange (ETDEWEB)

Spengler, C. [Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) mbH, Koeln (Germany)

2002-07-01

The analysis of melt spreading and relocation phenomena in the containment of LWR power plants in case of hypothetical severe accidents leading to core melting is an important issue for reactor safety investigations. For the simulation of melt spreading the code LAVA has been developed on the basis of a method from the related subject of volcanology by adding more detailed models for heat transfer phenomena and flow rheology. The development is supported by basic analysis of the spreading of gravity currents as well as experimental investigations of the rheology of solidifying melts. These exhibit strong non-Newtonian effects in case of a high content of solids in the freezing melt. The basic model assumption in LAVA is the ideal Bingham plastic approach to the non-Newtonian, shear-thinning characteristic of solidifying melts. For the recalculation of melt spreading experiments, the temperature-dependent material properties for solidifying melt mixtures have been calculated using correlations from the literature. With the parameters and correlations for the rheological material properties approached by results from literature, it was possible to recalculate successfully recent spreading experiments with simulant materials and prototypic reactor core materials. An application to the behaviour of core melt in the reactor cavity assumed a borderline case for the issue of spreading. This limit is represented by melt conditions (large solid fraction, low volume flux), under which the melt is hardly spreadable. Due to the persistent volume flux the reactor cavity is completely, but inhomogeneously filled with melt. The degree of inhomogeneity is rather small, so it is concluded, that for the long-term coolability of a melt pool in narrow cavities the spreading of melt will probably have only negligible influence. (orig.)

Steady distribution structure of point defects near crystal-melt interface under pulling stop of CZ Si crystal

Science.gov (United States)

Abe, T.; Takahashi, T.; Shirai, K.

2017-02-01

In order to reveal a steady distribution structure of point defects of no growing Si on the solid-liquid interface, the crystals were grown at a high pulling rate, which Vs becomes predominant, and the pulling was suddenly stopped. After restoring the variations of the crystal by the pulling-stop, the crystals were then left in prolonged contact with the melt. Finally, the crystals were detached and rapidly cooled to freeze point defects and then a distribution of the point defects of the as-grown crystals was observed. As a result, a dislocation loop (DL) region, which is formed by the aggregation of interstitials (Is), was formed over the solid-liquid interface and was surrounded with a Vs-and-Is-free recombination region (Rc-region), although the entire crystals had been Vs rich in the beginning. It was also revealed that the crystal on the solid-liquid interface after the prolonged contact with the melt can partially have a Rc-region to be directly in contact with the melt, unlike a defect distribution of a solid-liquid interface that has been growing. This experimental result contradicts a hypothesis of Voronkov's diffusion model, which always assumes the equilibrium concentrations of Vs and Is as the boundary condition for distribution of point defects on the growth interface. The results were disscussed from a qualitative point of view of temperature distribution and thermal stress by the pulling-stop.

High-temperature abnormal behavior of resistivities for Bi-In melts

International Nuclear Information System (INIS)

Xi Yun; Zu Fangqiu; Li Xianfen; Yu Jin; Liu Lanjun; Li Qiang; Chen Zhihao

2004-01-01

The patterns of electrical resistivities versus temperature in large temperature range have been studied, using the D.C. four-probe method, for liquid Bi-In alloys (Bi-In(33 wt%), Bi-In(38 wt%), Bi-In(50.5 wt%), Bi-In(66 wt%)). The clear turning point of each resistivity-temperature curves of the liquid Bi-In alloys is observed at the temperature much above the melting point, in which temperature range the resistivity-temperature coefficient increases rapidly. Except for the turning temperature range, the resistivities of Bi-In alloys increase linearly with temperature. Because resistivity is sensitive to the structure, this experiment shows the structural transition in Bi-In melts at the temperature much higher than the liquidus. And it is suggested that there are different Bi-In short-range orderings in different Bi-In melts, so the resistivity-temperature curves have the turns at different temperatures and the resistivity-temperature coefficients are also different

Flux lattice melting in high-Tc superconductors

International Nuclear Information System (INIS)

Houghton, A.; Pelcovits, R.A.; Sudbo, A.

1989-01-01

We derive the wave-vector-dependent elastic moduli for a flux line lattice in compounds with underlying tetragonal crystalline symmetry. We find that it is essential to retain wave-vector dependence of the moduli when dealing with compounds where κ is large, as it is in the high-T c materials. We use our results to establish a Lindemann criterion for flux lattice melting, which we then compare with experimental data on two materials, and find excellent agreement. The melting curves are suppressed well below the mean-field superconducting-normal transition line and are linear in temperature over a wide range of magnetic fields. The point H=0, T=T c is approached as 1-T/T c ∼H 1/2 . The degree of suppression of the melting curves among the different compounds is accounted for in the main by differences in mass anisotropy

Airborne concentrations of toxic metals resulting from the use of low melting point lead alloys to construct radiotherapy shielding

International Nuclear Information System (INIS)

McCullough, E.C.; Senjem, D.H.

1981-01-01

Determinations of airborne concentrations of lead, cadmium, bismuth, and tin were made above vessels containing a fusible lead alloy (158 0 F melting point) commonly used for construction of radiotherapy blocks. Fume concentrations were determined by collection on a membrane filter and analysis by atomic absorption spectrophotometry. Samples were obtained for alloy temperatures of 200 0 , 400 0 , and 600 0 F. In all instances, concentrations were much lower than the applicable occupational limits for continuous exposure. The results of this study indicate that the use of a vented hood as a means of reducing air concentrations of toxic metals above and near vessels containing low temperature melting point lead allows commonly used in construction of radiotherapy shields appears unjustifiable. However, proper handling procedures should be observed to avoid entry into the body via alternate pathways (e.g., ingestion or skin absorption). Transmission data of a non-cadmium containing lead alloy with a melting point of 203 0 F was ascertained and is reported on

Melting of iron at the Earth's core conditions by molecular dynamics simulation

Directory of Open Access Journals (Sweden)

Y. N. Wu

2011-09-01

Full Text Available By large scale molecular dynamics simulations of solid-liquid coexistence, we have investigated the melting of iron under pressures from 0 to 364 GPa. The temperatures of liquid and solid regions, and the pressure of the system are calculated to estimate the melting point of iron. We obtain the melting temperature of iron is about 6700±200K under the inner-outer core boundary, which is in good agreement with the result of Alfè et al. By the pair analysis technique, the microstructure of liquid iron under higher pressures is obviously different from that of lower pressures and ambient condition, indicating that the pressure-induced liquid-liquid phase transition may take place in iron melts.

Dislocations and melting in two and three dimensions

DEFF Research Database (Denmark)

Tallon, Jeffery L.

1980-01-01

included, the model system may jump discontinuously from a volume below the dislocation transition to a volume above the disclination transition so that both transitions are virtual and are hidden in the first-order discontinuity. A reinterpretation of the recent molecular-dynamics simulation of two-dimensional......Comments are presented on the recent theories of two-dimensional melting which envisage melting as proceeding via two second-order transitions comprising dislocation dipole dissociation followed by disclination dipole dissociation. It is suggested that if the configurational entropy is properly...... melting of Frenkel and McTague, reveals that such is the case for a Lennard-Jones system. There may be no fundamental difference between two-and three-dimensional melting. ©1980 The American Physical Society...

Shear viscosity of glass-forming melts in the liquid-glass transition region

International Nuclear Information System (INIS)

Sanditov, D. S.

2010-01-01

A new approach to interpreting the hole-activation model of a viscous flow of glass-forming liquids is proposed. This model underlies the development of the concept on the exponential temperature dependence of the free energy of activation of a flow within the range of the liquid-glass transition in complete agreement with available experimental data. The 'formation of a fluctuation hole' in high-heat glass-forming melts is considered as a small-scale low-activation local deformation of a structural network, i.e., the quasi-lattice necessary for the switching of the valence bond, which is the main elementary event of viscous flow of glasses and their melts. In this sense, the hole formation is a conditioned process. A drastic increase in the activation free energy of viscous flow in the liquid-glass transition region is explained by a structural transformation that is reduced to a limiting local elastic deformation of the structural network, which, in turn, originates from the excitation (critical displacement) of a bridging atom like the oxygen atom in the Si-O-Si bridge. At elevated temperatures, as a rule, a necessary amount of excited bridging atoms (locally deformed regions of the structural network) always exists, and the activation free energy of viscous flow is almost independent of temperature. The hole-activation model is closely connected with a number of well-known models describing the viscous flow of glass-forming liquids (the Avramov-Milchev, Nemilov, Ojovan, and other models).

The glass transition, crystallization and melting in Au-Pb-Sb alloys

Science.gov (United States)

Lee, M. C.; Allen, J. L.; Fecht, H. J.; Perepezko, J. H.; Ohsaka, K.

1988-01-01

The glass transition, crystallization and melting of Au(55)Pb(22.5)Sb(22.5) alloys have been studied by differential scanning calorimetry DSC. Crystallization on heating above the glass transition temperature Tg (45 C) begins at 64 C. Further crystallization events are observed at 172 C and 205 C. These events were found to correspond to the formation of the intermetallic compounds AuSb2, Au2Pb, and possibly AuPb2, respectively. Isothermal DSC scans of the glassy alloy above Tg were used to monitor the kinetics of crystallization. The solidification behavior and heat capacity in the glass-forming composition range were determined with droplet samples. An undercooling level of 0.3T(L) below the liquidus temperature T(L) was achieved, resulting in crystallization of different stable and metastable phases. The heat capacity C(P) of the undercooled liquid was measured over an undercooling range of 145 C.

Melting heat transfer in boundary layer stagnation-point flow towards a stretching/shrinking sheet

International Nuclear Information System (INIS)

Bachok, Norfifah; Ishak, Anuar; Pop, Ioan

2010-01-01

An analysis is carried out to study the steady two-dimensional stagnation-point flow and heat transfer from a warm, laminar liquid flow to a melting stretching/shrinking sheet. The governing partial differential equations are converted into ordinary differential equations by similarity transformation, before being solved numerically using the Runge-Kutta-Fehlberg method. Results for the skin friction coefficient, local Nusselt number, velocity profiles as well as temperature profiles are presented for different values of the governing parameters. Effects of the melting parameter, stretching/shrinking parameter and Prandtl number on the flow and heat transfer characteristics are thoroughly examined. Different from a stretching sheet, it is found that the solutions for a shrinking sheet are non-unique.

Bayesian inference as a tool for analysis of first-principles calculations of complex materials: an application to the melting point of Ti2GaN

International Nuclear Information System (INIS)

Davis, Sergio; Gutiérrez, Gonzalo

2013-01-01

We present a systematic implementation of the recently developed Z-method for computing melting points of solids, augmented by a Bayesian analysis of the data obtained from molecular dynamics simulations. The use of Bayesian inference allows us to extract valuable information from limited data, reducing the computational cost of drawing the isochoric curve. From this Bayesian Z-method we obtain posterior distributions for the melting temperature T m , the critical superheating temperature T LS and the slopes dT/dE of the liquid and solid phases. The method therefore gives full quantification of the errors in the prediction of the melting point. This procedure is applied to the estimation of the melting point of Ti 2 GaN (one of the so-called MAX phases), a complex, laminar material, by density functional theory molecular dynamics, finding an estimate T m of 2591.61 ± 89.61 K, which is in good agreement with melting points of similar ceramics. (paper)

Melting of gold microclusters

International Nuclear Information System (INIS)

Garzon, I.L.; Jellinek, J.

1991-01-01

The transition from solid-like to liquid-like behavior in Au n , n=6, 7, 13, clusters is studied using molecular dynamics simulations. A Gupta-type potential with all-neighbour interactions is employed to incorporate n-body effects. The melting-like transition is described in terms of short-time averages of the kinetic energy per particle, root-mean-square bond length fluctuations and mean square displacements. A comparison between melting temperatures of Au n and Ni n clusters is presented. (orig.)

Ultrafast studies of shock-induced melting and phase transitions at LCLS

Science.gov (United States)

McMahon, Malcolm

The study of shock-induced phase transitions, which is vital to the understanding of material response to rapid pressure changes, dates back to the 1950s, when Bankcroft et al reported a transition in iron. Since then, many transitions have been reported in a wide range of materials, but, due to the lack of sufficiently bright x-ray sources, the structural details of these new phases has been notably lacking. While the development of nanosecond in situ x-ray diffraction has meant that lattice-level studies of such phenomena have become possible, including studies of the phase transition reported 60 years ago in iron, the quality of the diffraction data from such studies is noticeably poorer than that obtained from statically-compressed samples on synchrotrons. The advent of x-ray free electron lasers (XFELs), such as the LCLS, has resulted in an unprecedented improvement in the quality of diffraction data that can be obtained from shock-compressed matter. Here I describe the results from three recent experiment at the LCLS that looked at the solid-solid and solid-liquid phase transitions in Sb, Bi and Sc using single 50 fs x-ray exposures. The results provide new insight into the structural changes and melting induced by shock compression. This work is supported by EPSRC under Grant No. EP/J017051/1. Use of the LCLS, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515.

Evidence for plasma phase transition in high pressure hydrogen from ab-initio simulations

Energy Technology Data Exchange (ETDEWEB)

Morales, M; Pierleoni, C; Schwegler, E; Ceperley, D

2010-02-08

We have performed a detailed study of molecular dissociation in liquid hydrogen using both Born-Oppenheimer molecular dynamics with Density Functional Theory and Coupled Electron-Ion Monte Carlo simulations. We observe a range of densities where (dP/d{rho}){sub T} = 0 that coincides with sharp discontinuities in the electronic conductivity, which is clear evidence of the plasma phase transition for temperatures 600K {le} T {le} 1500K. Both levels of theory exhibit the transition, although Quantum Monte Carlo predicts higher transition pressures. Based on the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures slightly below 2000 K. We examine the influence of proton zero point motion by using Path Integral Molecular Dynamics with Density Functional Theory; the main effect is to shift the transition to lower pressures. Furthermore, we calculate the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line in good agreement with previous calculations. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using Quantum Monte Carlo energetics.

Fabrication and Optimization of a PAGATA Gel Dosimeter: Increasing the Melting Point of the PAGAT Gel Dosimeter with Agarose Additive

Directory of Open Access Journals (Sweden)

Bakhtiar Azadbakht

2010-12-01

Full Text Available Introduction: The PAGAT polymer gel dosimeter melts at 30 ˚C and even at room temperature during the summer, so it needs to be kept in a cool place such as a refrigerator. To increase the stability of the PAGAT gel, different amounts of agarose were added to the PAGAT gel composition and the PAGATA gel was manufactured. Material and Methods: The PAGATA gel vials were irradiated using a Co-60 machine. Then, the samples were evaluated using a 1.5 T Siemens MRI scanner. The ingredients of the PAGATA normoxic gel dosimeter were 4.5% N-N' methylen-bis-acrylamide, 4.5% acrylamide, 4.5% gelatine, 5 mM tetrakis (THPC, 0.01 mM hydroquinone (HQ, 0.5% agarose and 86% de-ionized water (HPLC. Results: Melting point and sensitivity of the PAGAT gel dosimeter with addition of 0.0, 0.3, 0.5, 1.0, 1.5 and 2.0% of agarose were measured, in which the melting points were increased to 30, 82, 86, 88, 89 and 90°C and their sensitivities found to be 0.113, 0.1059, 0.125, 0.122, 0.115 and 0.2  respectively. Discussion and Conclusions: Adding agarose increased the sensitivity and background R2 of the evaluated samples. The optimum amount of agarose was found to be 0.5% regarding these parameters and also the melting point of the gel dosimeter. A value of 0.5% agarose was found to be an optimum value considering the increase of sensitivity to 0.125 and melting point to 86°C but at the expense of increasing the background R2 to 4.530.

The Relationship between Lattice Enthalpy and Melting Point in Magnesium and Aluminium Oxides. Science Notes

Science.gov (United States)

Talbot, Christopher; Yap, Lydia

2013-01-01

This "Science Note" presents a study by Christopher Talbot and Lydia Yap, who teach IB Chemistry at Anglo-Chinese School (Independent), Republic of Singapore, to pre-university students. Pre-university students may postulate the correlation between the magnitude of the lattice enthalpy compound and its melting point, since both…

Estimating the melting point, entropy of fusion, and enthalpy of fusion of organic compounds via SPARC

Science.gov (United States)

The entropies of fusion, enthalies of fusion, and melting points of organic compounds can be estimated through three models developed using the SPARC (SPARC Performs Automated Reasoning in Chemistry) platform. The entropy of fusion is modeled through a combination of interaction ...

Method of melting solid waste

International Nuclear Information System (INIS)

Ootsuka, Katsuyuki; Mizuno, Ryokichi; Kuwana, Katsumi; Sawada, Yoshihisa; Komatsu, Fumiaki.

1982-01-01

Purpose: To enable the volume reduction treatment of a HEPA filter containing various solid wastes, particularly acid digestion residue, or an asbestos separator at a relatively low temperature range. Method: Solid waste to be heated and molten is high melting point material treated by ''acid digestion treatment'' for treating solid waste, e.g. a HEPA filter or polyvinyl chloride, etc. of an atomic power facility treated with nitric acid or the like. When this material is heated and molten by an electric furnace, microwave melting furnace, etc., boron oxide, sodium boride, sodium carbonate, etc. is added as a melting point lowering agent. When it is molten in this state, its melting point is lowered, and it becomes remarkably fluid, and the melting treatment is facilitated. Solidified material thus obtained through the melting step has excellent denseness and further large volume reduction rate of the solidified material. (Yoshihara, H.)

Third-order gas-liquid phase transition and the nature of Andrews critical point

Directory of Open Access Journals (Sweden)

Tian Ma

2011-12-01

Full Text Available The main objective of this article is to study the nature of the Andrews critical point in the gas-liquid transition in a physical-vapor transport (PVT system. A dynamical model, consistent with the van der Waals equation near the Andrews critical point, is derived. With this model, we deduce two physical parameters, which interact exactly at the Andrews critical point, and which dictate the dynamic transition behavior near the Andrews critical point. In particular, it is shown that 1 the gas-liquid co-existence curve can be extended beyond the Andrews critical point, and 2 the transition is first order before the critical point, second-order at the critical point, and third order beyond the Andrews critical point. This clearly explains why it is hard to observe the gas-liquid phase transition beyond the Andrews critical point. Furthermore, the analysis leads naturally the introduction of a general asymmetry principle of fluctuations and the preferred transition mechanism for a thermodynamic system. The theoretical results derived in this article are in agreement with the experimental results obtained in (K. Nishikawa and T. Morita, Fluid behavior at supercritical states studied by small-angle X-ray scattering, Journal of Supercritical Fluid, 13 (1998, pp. 143-148. Also, the derived second-order transition at the critical point is consistent with the result obtained in (M. Fisher, Specific heat of a gas near the critical point, Physical Review, 136:6A (1964, pp. A1599-A1604.

Removal of oxides from alkali metal melts by reductive titration to electrical resistance-change end points

Science.gov (United States)

Tsang, Floris Y.

1980-01-01

Alkali metal oxides dissolved in alkali metal melts are reduced with soluble metals which are converted to insoluble oxides. The end points of the reduction is detected as an increase in electrical resistance across an alkali metal ion-conductive membrane interposed between the oxide-containing melt and a material capable of accepting the alkali metal ions from the membrane when a difference in electrical potential, of the appropriate polarity, is established across it. The resistance increase results from blocking of the membrane face by ions of the excess reductant metal, to which the membrane is essentially non-conductive.

Pressure Dependence of Molar Volume near the Melting Point in Benzene

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

The pressure dependence of the molar volume was at constant temperatures close to the melting point in benzene. The molar volume of benzene was calculated using experimental data for the thermal expansivity for constant temperatures of 25℃, 28.5℃, 40℃, and 51℃ at various pressures for both the solid and liquid phases. The predictions are in good agreement with the observed volumes in both the solid and liquid phases of benzene. The predicted values of the molar volume for a constant temperature of 28.5℃ in the liquid phase of benzene agree well with experimental data in the literature.

Electrical conductivity and viscosity of borosilicate glasses and melts

DEFF Research Database (Denmark)

Ehrt, Doris; Keding, Ralf

2009-01-01

, 0 to 62·5 mol% B2O3, and 25 to 85 mol% SiO2. The glass samples were characterised by different methods. Refractive indices, density and thermal expansion were measured. Phase separation effects were investigated by electron microscopy. The electrical conductivity of glasses and melts were determined......Simple sodium borosilicate and silicate glasses were melted on a very large scale (35 l Pt crucible) to prepare model glasses of optical quality in order to investigate various properties depending on their structure. The composition of the glass samples varied in a wide range: 3 to 33·3 mol% Na2O...... by impedance measurements in a wide temperature range (250 to 1450°C). The activation energies were calculated by Arrhenius plots in various temperature regions: below the glass transition temperature, Tg, above the melting point, Tl, and between Tg and Tl. Viscosity measurements were carried out...

Evaluation of thermal physical properties for fast reactor fuels. Melting point and thermal conductivities

International Nuclear Information System (INIS)

Kato, Masato; Morimoto, Kyoichi; Komeno, Akira; Nakamichi, Shinya; Kashimura, Motoaki; Abe, Tomoyuki; Uno, Hiroki; Ogasawara, Masahiro; Tamura, Tetsuya; Sugata, Hirotada; Sunaoshi, Takeo; Shibata, Kazuya

2006-10-01

Japan Atomic Energy Agency has developed a fast breeder reactor (FBR), and plutonium and uranium mixed oxide (MOX) having low density and 20-30%Pu content has used as a fuel of the FBR, Monju. In plutonium, Americium has been accumulated during long-term storage, and Am content will be increasing up to 2-3% in the MOX. It is essential to evaluate the influence of Am content on physical properties of MOX on the development of FBR in the future. In this study melting points and thermal conductivities which are important data on the fuel design were measured systematically in wide range of composition, and the effects of Am accumulated were evaluated. The solidus temperatures of MOX were measured as a function of Pu content, oxygen to metal ratio (O/M) and Am content using thermal arrest technique. The sample was sealed in a tungsten capsule in vacuum for measuring solidus temperature. In the measurements of MOX with Pu content of more than 30%, a rhenium inner capsule was used to prevent the reaction between MOX and tungsten. In the results, it was confirmed that the melting points of MOX decrease with as an increase of Pu content and increase slightly with a decrease of O/M ratio. The effect of Am content on the fuel design was negligible small in the range of Am content up to 3%. Thermal conductivities of MOX were evaluated from thermal diffusivity measured by laser flash method and heat capacity calculated by Neumann- Kopp's law. The thermal conductivity of MOX decreased slightly in the temperature of less than 1173K with increasing Am content. The effect of Am accumulated in long-term storage fuel was evaluated from melting points and thermal conductivities measured in this study. It is concluded that the increase of Am in the fuel barely affect the fuel design in the range of less than 3%Am content. (author)

Experimental results for TiO2 melting and release using cold crucible melting

International Nuclear Information System (INIS)

Hong, S. W.; Min, B. T.; Park, I. G.; Kim, H. D.

2000-01-01

To simulate the severe accident phenomena using the real reactor material which melting point is about 2,800K, the melting and release method for materials with high melting point should be developed. This paper discusses the test results for TiO 2 materials using the cold crucible melting method to study the melting and release method of actual corium. To melt and release of few kg of TiO2, the experimental facility is manufactured through proper selection of design parameters such as frequency and capacity of R.F generator, crucible size and capacity of coolant. The melting and release of TiO 2 has been successfully performed in the cold crucible of 15cm in inner diameter and 30cm in height with 30kW RF power generator of 370 KHz. In the melt delivery experiment, about 2.6kg of molten TiO2, 60% of initial charged mass, is released. Rest of it is remained in the watercage in form of the rubble crust formed at the top of crucible and melt crust formed at the interface between the water-cage and melt. Especially, in the melt release test, the location of the working coil is important to make the thin crust at the bottom of the crucible

H-point exciton transitions in bulk MoS2

International Nuclear Information System (INIS)

Saigal, Nihit; Ghosh, Sandip

2015-01-01

Reflectance and photoreflectance spectrum of bulk MoS 2 around its direct bandgap energy have been measured at 12 K. Apart from spectral features due to the A and B ground state exciton transitions at the K-point of the Brillouin zone, one observes additional features at nearby energies. Through lineshape analysis the character of two prominent additional features are shown to be quite different from that of A and B. By comparing with reported electronic band structure calculations, these two additional features are identified as ground state exciton transitions at the H-point of the Brillouin zone involving two spin-orbit split valance bands. The excitonic energy gap at the H-point is 1.965 eV with a valance bands splitting of 185 meV. While at the K-point, the corresponding values are 1.920 eV and 205 meV, respectively

Polydispersity effect on solid-fluid transition in hard sphere systems

KAUST Repository

Nogawa, T.

2010-02-01

The solid-fluid transition of the hard elastic particle system with size polydispersity is studied by molecular dynamics simulations. Using nonequilibrium relaxation from the mixed initial condition we determines the melting point where the first order transition between the solid, fcc crystal, and fluid states occurs. It is found that the density gap between the bistable states decreases with increasing the strength of the polydispersity and continuously approaches to zero at the critical point. © 2010.

Model of interfacial melting

DEFF Research Database (Denmark)

Mouritsen, Ole G.; Zuckermann, Martin J.

1987-01-01

A two-dimensional model is proposed to describe systems with phase transitions which take place in terms of crystalline as well as internal degrees of freedom. Computer simulation of the model shows that the interplay between the two sets of degrees of freedom permits observation of grain-boundar......-boundary formation and interfacial melting, a nonequilibrium process by which the system melts at the boundaries of a polycrystalline domain structure. Lipid membranes are candidates for systems with pronounced interfacial melting behavior....

Dual structural transition in small nanoparticles of Cu-Au alloy

Science.gov (United States)

Gafner, Yuri; Gafner, Svetlana; Redel, Larisa; Zamulin, Ivan

2018-02-01

Cu-Au alloy nanoparticles are known to be widely used in the catalysis of various chemical reactions as it was experimentally defined that in many cases the partial substitution of copper with gold increases catalytic activity. However, providing the reaction capacity of alloy nanoparticles the surface electronic structure strongly depends on their atomic ordering. Therefore, to theoretically determine catalytic properties, one needs to use a most real structural model complying with Cu-Au nanoparticles under various external influences. So, thermal stability limits were studied for the initial L12 phase in Cu3Au nanoalloy clusters up to 8.0 nm and Cu-Au clusters up to 3.0 nm at various degrees of Au atom concentration, with molecular dynamics method using a modified tight-binding TB-SMA potential. Dual structural transition L12 → FCC and further FCC → Ih is shown to be possible under the thermal factor in Cu3Au and Cu-Au clusters with the diameter up to 3.0 nm. The temperature of the structural transition FCC → Ih is established to decrease for small particles of Cu-Au alloy under the increase of Au atom concentration. For clusters with this structural transition, the melting point is found to be a linear increasing function of concentration, and for clusters without FCC → Ih structural transition, the melting point is a linear decreasing function of Au content. Thus, the article shows that doping Cu nanoclusters with Au atoms allows to control the forming structure as well as the melting point.

46 CFR 153.488 - Design and equipment for tanks carrying high melting point NLSs: Category B.

Science.gov (United States)

2010-10-01

... (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS... equipment for tanks carrying high melting point NLSs: Category B. Unless waived under § 153.491, for a ship to have its Certificate of Inspection or Certificate of Compliance endorsed allowing a tank to carry...

Polydispersity effect on solid-fluid transition in hard sphere systems

KAUST Repository

Nogawa, T.; Watanabe, H.; Ito, N.

2010-01-01

The solid-fluid transition of the hard elastic particle system with size polydispersity is studied by molecular dynamics simulations. Using nonequilibrium relaxation from the mixed initial condition we determines the melting point where the first

Progress of HDDR NdFeB powders modulated by the diffusion of low melting point elements and their alloys

Directory of Open Access Journals (Sweden)

Lyu Meng

2017-12-01

Full Text Available The hydrogenation-disproportionation-desorption-recombination (HDDR process is the main technique for the fabrication of anisotropic NdFeB magnetic powder.But the intrinsic coercivity (HC of HDDR magnetic powder is low.The addition of heavy rare earth element Dy could improve its HC.It was found that the added Dy is mainly distributed in the grain boundary of HDDR magnets,which regulates grain boundary phase and increases the thickness of grain boundary to improve the anisotropy field (HA and HC of the magnets.However,Dy becomes scarcer and more expensive,which limits the practical application of HDDR magnets.To reduce the dependence on heavy rare earth elements and cost,researchers replaced the heavy rare earth element Dy by low melting point elements and their alloys through grain boundary diffusion technique.During diffusion process low melting point metal exists as liquid phase that increases the diffusion coefficient of diffusion medium as well as its contact area with grain boundary phases of HDDR magnets,and benefits its diffusion along grain boundaries and regulation of grain boundary phase.The modified grain boundary in magnets improve HC.This review paper focuses on the research progress in improving HC of HDDR NdFeB magnets by low melting point elements and their alloys.

Calculation procedure for formulating lauric and palmitic fat blends based on the grouping of triacylglycerol melting points

Directory of Open Access Journals (Sweden)

B. P. Nusantoro

2018-01-01

Full Text Available A calculation procedure for formulating lauric and palmitic fat blends has been developed based on grouping TAG melting points. This procedure offered more flexibility in choosing the initial fats and oils and eventually gave deeper insight into the existing chemical compositions and better prediction on the physicochemical properties and microstructure of the fat blends. The amount of high, medium and low melting TAGs could be adjusted using the given calculation procedure to obtain the desired functional properties in the fat blends. Solid fat contents and melting behavior of formulated fat blends showed particular patterns with respect to ratio adjustments of the melting TAG groups. These outcomes also suggested that both TAG species and their quantity had a significant influence on the crystallization behavior of the fat blends. Palmitic fat blends, in general, were found to exhibit higher SFC values than those of Lauric fat blends. Instead of the similarity in crystal microstructure, lauric fat blends were stabilized at β polymorph while palmitic fat blends were stabilized at β’ polymorph.

Calculation procedure for formulating lauric and palmitic fat blends based on the grouping of triacylglycerol melting points

International Nuclear Information System (INIS)

Nusantoro, B.P.; Yanty, N.A.M.; Van de Walle, D.; Hidayat, C.; Danthine, S.; Dewettinck, K.

2017-01-01

A calculation procedure for formulating lauric and palmitic fat blends has been developed based on grouping TAG melting points. This procedure offered more flexibility in choosing the initial fats and oils and eventually gave deeper insight into the existing chemical compositions and better prediction on the physicochemical properties and microstructure of the fat blends. The amount of high, medium and low melting TAGs could be adjusted using the given calculation procedure to obtain the desired functional properties in the fat blends. Solid fat contents and melting behavior of formulated fat blends showed particular patterns with respect to ratio adjustments of the melting TAG groups. These outcomes also suggested that both TAG species and their quantity had a significant influence on the crystallization behavior of the fat blends. Palmitic fat blends, in general, were found to exhibit higher SFC values than those of Lauric fat blends. Instead of the similarity in crystal microstructure, lauric fat blends were stabilized at β polymorph while palmitic fat blends were stabilized at β’ polymorph. [es

Wetting and surface tension of bismate glass melt

International Nuclear Information System (INIS)

Shim, Seung-Bo; Kim, Dong-Sun; Hwang, Seongjin; Kim, Hyungsun

2009-01-01

Lead oxide glass frits are used widely in the electronics industry for low-temperature firing. On the other hand, one of the low-sintering and low-melting lead-free glass systems available, the bismate glass system, is considered to be an alternative to lead oxide glass. In order to extend the applications of Bi 2 O 3 glasses, this study examined the thermophysical properties of low-melting Bi 2 O 3 -B 2 O 3 -ZnO-BaO-Al 2 O 3 -SiO 2 glass frits with various ZnO/B 2 O 3 ratios. The fundamental thermal properties, such as glass transition temperature and softening point, were examined by differential thermal analysis and a glass softening point determination system. The wetting angles, viscosities and surface tension of the various bismate glasses on an alumina substrate were measured using hot-stage microscopy and the sessile drop method. These thermophysical properties will be helpful in understanding the work of adhesion and the liquid spread kinetics of glass frits.

Force induced DNA melting

International Nuclear Information System (INIS)

Santosh, Mogurampelly; Maiti, Prabal K

2009-01-01

When pulled along the axis, double-strand DNA undergoes a large conformational change and elongates by roughly twice its initial contour length at a pulling force of about 70 pN. The transition to this highly overstretched form of DNA is very cooperative. Applying a force perpendicular to the DNA axis (unzipping), double-strand DNA can also be separated into two single-stranded DNA, this being a fundamental process in DNA replication. We study the DNA overstretching and unzipping transition using fully atomistic molecular dynamics (MD) simulations and argue that the conformational changes of double-strand DNA associated with either of the above mentioned processes can be viewed as force induced DNA melting. As the force at one end of the DNA is increased the DNA starts melting abruptly/smoothly above a critical force depending on the pulling direction. The critical force f m , at which DNA melts completely decreases as the temperature of the system is increased. The melting force in the case of unzipping is smaller compared to the melting force when the DNA is pulled along the helical axis. In the case of melting through unzipping, the double-strand separation has jumps which correspond to the different energy minima arising due to sequence of different base pairs. The fraction of Watson-Crick base pair hydrogen bond breaking as a function of force does not show smooth and continuous behavior and consists of plateaus followed by sharp jumps.

Arctic sea ice melt pond fractal dimension - explained

Science.gov (United States)

Popovic, Predrag

As Arctic sea ice starts to melt in the summer, pools of melt water quickly form on its surface, significantly changing its albedo, and impacting its subsequent evolution. These melt ponds often form complex geometric shapes. One characteristic of their shape, the fractal dimension of the pond boundaries, D, when plotted as a function of pond size, has been shown to transition between the two fundamental limits of D = 1 and D = 2 at some critical pond size. Here, we provide an explanation for this behavior. First, using aerial photographs, we show how this fractal transition curve changes with time, and show that there is a qualitative difference in the pond shape as ice transitions from impermeable to permeable. Namely, while ice is impermeable, maximum fractal dimension is less than 2, whereas after it becomes permeable, maximum fractal dimension becomes very close to 2. We then show how the fractal dimension of a collection of overlapping circles placed randomly on a plane also transitions from D = 1 to D = 2 at a size equal to the average size of a single circle. We, therefore, conclude that this transition is a simple geometric consequence of regular shapes connecting. The one physical parameter that can be extracted from the fractal transition curve is the length scale at which transition occurs. We provide a possible explanation for this length scale by noting that the flexural wavelength of the ice poses a fundamental limit on the size of melt ponds on permeable ice. If this is true, melt ponds could be used as a proxy for ice thickness.

Viscosity measurements on metal melts at high pressure and viscosity calculations for the earth's core

International Nuclear Information System (INIS)

Mineev, Vladimir N; Funtikov, Aleksandr I

2004-01-01

A review is given of experimental and calculated data on the viscosity of iron-based melts on the melting curve. The interest in these data originates in the division of opinion on whether viscosity increases rather moderately or considerably in the high-pressure range. This disagreement is especially pronounced in the interpretation of the values of molten iron and its compounds in the environment of the earth's outer core. The conclusion on a substantial rise in viscosity mostly follows from the universal law, proposed by Brazhkin and Lyapin [1], of viscosity changing along the metal melting curve in the high-pressure range. The review analyzes available experimental and computational data, including the most recent ones. Data on viscosity of metals under shock wave compression in the megabar pressure range are also discussed. It is shown that data on viscosity of metal melts point to a small increase of viscosity on the melting curve. Specifics are discussed of the phase diagram of iron made more complex by the presence of several phase transitions and by the uncertainty in the position of the melting curve in the high-pressure range. Inaccuracies that arise in extrapolating the results of viscosity measurements to the pressure range corresponding to the earth's core environment are pointed out. (reviews of topical problems)

Melting method for miscellaneous radioactive solid waste and melting furnace

International Nuclear Information System (INIS)

Osaki, Toru; Furukawa, Hirofumi; Uda, Nobuyoshi; Katsurai, Kiyomichi

1998-01-01

A vessel containing miscellaneous solid wastes is inserted in a crucible having a releasable material on the inner surface, they are induction-heated from the outside of the crucible by way of low temperature heating coils to melt low melting point materials in the miscellaneous wastes within a temperature range at which the vessel does not melt. Then, they are induction-heated by way of high temperature heating coils to melt the vessel and not yet melted materials, those molten materials are cooled, solidified molten material and the releasable material are taken out, and then the crucible is used again. Then, the crucible can be used again, so that it can be applied to a large scaled melting furnace which treats wastes by a unit of drum. In addition, since the cleaning of the used crucible and the application of the releasable material can be conducted without interrupting the operation of the melting furnace, the operation cycle of the melting furnace can be shortened. (N.H.)

Pre-melting hcp to bcc Transition in Beryllium: A Study by First-Principles Phonon Quasiparticle Approach

Science.gov (United States)

Zhang, D. B., Sr.

2017-12-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

Building optimal regression tree by ant colony system-genetic algorithm: Application to modeling of melting points

Energy Technology Data Exchange (ETDEWEB)

Hemmateenejad, Bahram, E-mail: hemmatb@sums.ac.ir [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of); Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz (Iran, Islamic Republic of); Shamsipur, Mojtaba [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Zare-Shahabadi, Vali [Young Researchers Club, Mahshahr Branch, Islamic Azad University, Mahshahr (Iran, Islamic Republic of); Akhond, Morteza [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of)

2011-10-17

Highlights: {yields} Ant colony systems help to build optimum classification and regression trees. {yields} Using of genetic algorithm operators in ant colony systems resulted in more appropriate models. {yields} Variable selection in each terminal node of the tree gives promising results. {yields} CART-ACS-GA could model the melting point of organic materials with prediction errors lower than previous models. - Abstract: The classification and regression trees (CART) possess the advantage of being able to handle large data sets and yield readily interpretable models. A conventional method of building a regression tree is recursive partitioning, which results in a good but not optimal tree. Ant colony system (ACS), which is a meta-heuristic algorithm and derived from the observation of real ants, can be used to overcome this problem. The purpose of this study was to explore the use of CART and its combination with ACS for modeling of melting points of a large variety of chemical compounds. Genetic algorithm (GA) operators (e.g., cross averring and mutation operators) were combined with ACS algorithm to select the best solution model. In addition, at each terminal node of the resulted tree, variable selection was done by ACS-GA algorithm to build an appropriate partial least squares (PLS) model. To test the ability of the resulted tree, a set of approximately 4173 structures and their melting points were used (3000 compounds as training set and 1173 as validation set). Further, an external test set containing of 277 drugs was used to validate the prediction ability of the tree. Comparison of the results obtained from both trees showed that the tree constructed by ACS-GA algorithm performs better than that produced by recursive partitioning procedure.

Two-point entanglement near a quantum phase transition

International Nuclear Information System (INIS)

Chen, Han-Dong

2007-01-01

In this work, we study the two-point entanglement S(i, j), which measures the entanglement between two separated degrees of freedom (ij) and the rest of system, near a quantum phase transition. Away from the critical point, S(i, j) saturates with a characteristic length scale ξ E , as the distance |i - j| increases. The entanglement length ξ E agrees with the correlation length. The universality and finite size scaling of entanglement are demonstrated in a class of exactly solvable one-dimensional spin model. By connecting the two-point entanglement to correlation functions in the long range limit, we argue that the prediction power of a two-point entanglement is universal as long as the two involved points are separated far enough

Petrological Geodynamics of Mantle Melting I. AlphaMELTS + Multiphase Flow: Dynamic Equilibrium Melting, Method and Results

Directory of Open Access Journals (Sweden)

Massimiliano Tirone

2017-10-01

with time, the melt and solid composition approach the composition that is found from a dynamic batch melting model which assumes the velocities of melt and residual solid to be the same. Time dependent melt fluctuations can be observed under certain conditions. In this case the composition of the melt that reaches the top side of the model (exit point may vary to some extent. A consistent result of the model under various conditions is that the volume of the first melt that arrives at the exit point is substantially larger than any later melt output. The analogy with large magma emplacements associated to continental break-up or formation of oceanic plateaus seems to suggest that these events are the direct consequence of a dynamic two-phase flow process. Even though chemical equilibrium between melt and the residual solid is imposed locally in space, bulk composition of the whole system (solid+melt varies with depth and may also vary with time, mainly as the result of the changes of the melt abundance. Potential factors that can influence the melting process such as bulk composition, temperature and mantle upwelling velocity at the top boundary (passive flow or bottom boundary (active flow should be addressed more systematically before the DEM model in this study and the dynamic fractional melting (DFM model that will be introduced in the second installment can be applied to interpret real petrological data. Complete data files of most of the simulations and four animations are available following the data repository link provided in the Supplementary Material.

The thermal expansion of gold: point defect concentrations and pre-melting in a face-centred cubic metal.

Science.gov (United States)

Pamato, Martha G; Wood, Ian G; Dobson, David P; Hunt, Simon A; Vočadlo, Lidunka

2018-04-01

On the basis of ab initio computer simulations, pre-melting phenomena have been suggested to occur in the elastic properties of hexagonal close-packed iron under the conditions of the Earth's inner core just before melting. The extent to which these pre-melting effects might also occur in the physical properties of face-centred cubic metals has been investigated here under more experimentally accessible conditions for gold, allowing for comparison with future computer simulations of this material. The thermal expansion of gold has been determined by X-ray powder diffraction from 40 K up to the melting point (1337 K). For the entire temperature range investigated, the unit-cell volume can be represented in the following way: a second-order Grüneisen approximation to the zero-pressure volumetric equation of state, with the internal energy calculated via a Debye model, is used to represent the thermal expansion of the 'perfect crystal'. Gold shows a nonlinear increase in thermal expansion that departs from this Grüneisen-Debye model prior to melting, which is probably a result of the generation of point defects over a large range of temperatures, beginning at T / T m > 0.75 (a similar homologous T to where softening has been observed in the elastic moduli of Au). Therefore, the thermodynamic theory of point defects was used to include the additional volume of the vacancies at high temperatures ('real crystal'), resulting in the following fitted parameters: Q = ( V 0 K 0 )/γ = 4.04 (1) × 10 -18  J, V 0 = 67.1671 (3) Å 3 , b = ( K 0 ' - 1)/2 = 3.84 (9), θ D = 182 (2) K, ( v f /Ω)exp( s f / k B ) = 1.8 (23) and h f = 0.9 (2) eV, where V 0 is the unit-cell volume at 0 K, K 0 and K 0 ' are the isothermal incompressibility and its first derivative with respect to pressure (evaluated at zero pressure), γ is a Grüneisen parameter, θ D is the Debye temperature, v f , h f and s f are the vacancy formation volume, enthalpy and entropy

Multiply Degenerate Exceptional Points and Quantum Phase Transitions

Czech Academy of Sciences Publication Activity Database

Borisov, D.; Růžička, František; Znojil, Miloslav

2015-01-01

Roč. 54, č. 12 (2015), s. 4293-4305 ISSN 0020-7748 Institutional support: RVO:61389005 Keywords : quantum mechanics * Cryptohermitian observbles * spectra and pseudospectra * real exceptional points * phase transitions Subject RIV: BE - Theoretical Physics Impact factor: 1.041, year: 2015

Melting of Domain Wall in Charge Ordered Dirac Electron of Organic Conductor α-(BEDT-TTF)2I3

Science.gov (United States)

Ohki, Daigo; Matsuno, Genki; Omori, Yukiko; Kobayashi, Akito

2018-05-01

The origin of charge order melting is identified by using the real space dependent mean-field theory in the extended Hubbard model describing an organic Dirac electron system α-(BEDT-TTF)2I3. In this model, the width of a domain wall which arises between different types of the charge ordered phase exhibits a divergent increase with decreasing the strength of electron-electron correlations. By analyzing the finite-size effect carefully, it is shown that the divergence coincides with a topological transition where a pair of Dirac cones merges in keeping with a finite gap. It is also clarified that the gap opening point and the topological transition point are different, which leads to the existence of an exotic massive Dirac electron phase with melted-type domain wall and gapless edge states. The present result also indicated that multiple metastable states are emerged in massive Dirac Electron phase. In the trivial charge ordered phase, the gapless domain-wall bound state takes place instead of the gapless edge states, accompanying with a form change of the domain wall from melted-type into hyperbolic-tangent-type.

The effect of coconut oil and palm oil as substituted oils to cocoa butter on chocolate bar texture and melting point

Science.gov (United States)

Limbardo, Rebecca Putri; Santoso, Herry; Witono, Judy Retti

2017-05-01

Cocoa butter has responsibility for dispersion medium to create a stable chocolate bar. Due to the economic reason, cocoa butter is partially or wholly substituted by edible oils e.g palm oil and coconut oil. The objective of the research was to observe the effect of oil substitution in the chocolate bar towards its melting point and texture. The research were divided in three steps which were preliminary research started with fat content analysis in cocoa powder, melting point analysis of substituted oils anc cocoa butter, and iodine number analysis in vegetable fats (cocoa butter, coconut oil, and palm oil), chocolate bar production with substitution 0%, 20%, 40%, 60%, 80%, and 100%wt of cocoa butter with each of substituted oils, and analysis process to determine the chocolate bar melting point with DSC and chocolate bar hardness with texture analyser. The increasement of substituted oils during substitution in chocolate bar would reduce the melting point of chocolate bar from 33.5°C to 31.6°C in palm oil substitution with cocoa butter and 33.5°C to 30.75°C in coconut oil substitution. The hardness of chocolate with palm oil were around 88.5 to 139 g on the 1st cycle and 22.75 to 132 g on the 2nd cycle. The hardness of chocolate with coconut oil were around 74.75 to 152.5 g on the 1st cycle and 53.25 to 132 g on the 2nd cycle. Maximum amount of fats substitution to produce a stable texture chocolate bar is 60% wt.

Microstructures define melting of molybdenum at high pressures

Science.gov (United States)

Hrubiak, Rostislav; Meng, Yue; Shen, Guoyin

2017-03-01

High-pressure melting anchors the phase diagram of a material, revealing the effect of pressure on the breakdown of the ordering of atoms in the solid. An important case is molybdenum, which has long been speculated to undergo an exceptionally steep increase in melting temperature when compressed. On the other hand, previous experiments showed nearly constant melting temperature as a function of pressure, in large discrepancy with theoretical expectations. Here we report a high-slope melting curve in molybdenum by synchrotron X-ray diffraction analysis of crystalline microstructures, generated by heating and subsequently rapidly quenching samples in a laser-heated diamond anvil cell. Distinct microstructural changes, observed at pressures up to 130 gigapascals, appear exclusively after melting, thus offering a reliable melting criterion. In addition, our study reveals a previously unsuspected transition in molybdenum at high pressure and high temperature, which yields highly textured body-centred cubic nanograins above a transition temperature.

Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

DEFF Research Database (Denmark)

Hervig, K.W.; Wu, Z.; Dai, P.

1997-01-01

Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...... neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T...

Effect of annealing on phase transition in poly(vinylidene fluoride ...

Indian Academy of Sciences (India)

Administrator

Laser Materials Development and Devices Division, Raja Ramanna Centre for Advanced Technology,. Indore 452 ... (DMSO) solvent, regardless of preparation temperature. .... The melting point, crystallization and phase transition of α-, β- and γ-phases of PVDF were observed from DSC curves during heating cycle of DSC.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations.

Science.gov (United States)

Morales, Miguel A; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D M

2010-07-20

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics.

Low-Frequency Internal Friction Study on the Structural Changes in Polymer Melts

International Nuclear Information System (INIS)

Xue-Bang, Wu; Qiao-Ling, Xu; Shu-Ying, Shang; Jia-Peng, Shui; Chang-Song, Liu; Zhen-Gang, Zhu

2008-01-01

With the help of the low-frequency internal friction method, we investigate the structural properties of polymer melts, such as amorphous polystyrene (PS), poly(methyl methacrylate) (PMMA), and semi-crystalline poly(ethylene oxide) (PEO). An obvious peak of relaxation type is found in each of the internal friction curves. The peak temperature T p follows the relation T p ≈ (1.15 – 1.18) T g for PS and PMMA melts, while it follows T p ≈ 1.22T m for PEO melt, with T g being the glass transition temperature and T m the melting temperature. Based on the analysis of the features of this peak, it is found that this peak is related to the liquid-liquid transition temperature T u of polymer melts. Mechanism of the liquid-liquid transition is suggested to be thermally-activated collective relaxation through cooperation. This finding may be helpful to understand the structural changes in polymer melts. In addition, the internal friction technique proves to be effective in studying dynamics in polymer melts

String-like cooperative motion in homogeneous melting.

Science.gov (United States)

Zhang, Hao; Khalkhali, Mohammad; Liu, Qingxia; Douglas, Jack F

2013-03-28

Despite the fundamental nature and practical importance of melting, there is still no generally accepted theory of this ubiquitous phenomenon. Even the earliest simulations of melting of hard discs by Alder and Wainwright indicated the active role of collective atomic motion in melting and here we utilize molecular dynamics simulation to determine whether these correlated motions are similar to those found in recent studies of glass-forming (GF) liquids and other condensed, strongly interacting, particle systems. We indeed find string-like collective atomic motion in our simulations of "superheated" Ni crystals, but other observations indicate significant differences from GF liquids. For example, we observe neither stretched exponential structural relaxation, nor any decoupling phenomenon, while we do find a boson peak, findings that have strong implications for understanding the physical origin of these universal properties of GF liquids. Our simulations also provide a novel view of "homogeneous" melting in which a small concentration of interstitial defects exerts a powerful effect on the crystal stability through their initiation and propagation of collective atomic motion. These relatively rare point defects are found to propagate down the strings like solitons, driving the collective motion. Crystal integrity remains preserved when the permutational atomic motions take the form of ring-like atomic exchanges, but a topological transition occurs at higher temperatures where the rings open to form linear chains similar in geometrical form and length distribution to the strings of GF liquids. The local symmetry breaking effect of the open strings apparently destabilizes the local lattice structure and precipitates crystal melting. The crystal defects are thus not static entities under dynamic conditions, such as elevated temperatures or material loading, but rather are active agents exhibiting a rich nonlinear dynamics that is not addressed in conventional "static

Filament stretching rheometry of polymer melts

DEFF Research Database (Denmark)

Hassager, Ole; Nielsen, Jens Kromann; Rasmussen, Henrik Koblitz

2005-01-01

The Filament Stretching Rheometry (FSR) method developed by Sridhar, McKinley and coworkers for polymer solutions has been extended to be used also for polymer melts. The design of a melt-FSR will be described and differences to conventional melt elongational rheometers will be pointed out. Results...

Quasi-liquid layer theory based on the bulk first-order phase transition

International Nuclear Information System (INIS)

Ryzhkin, I. A.; Petrenko, V. F.

2009-01-01

The theory of the superionic phase transition (bulk first-order transition) proposed in [1] is used to explain the existence of a quasi-liquid layer at an ice surface below its melting point. An analytical expression is derived for the quasi-liquid layer thickness. Numerical estimates are made and compared with experiment. Distinction is made between the present model and other quasi-liquid layer theories

Point defects and transport properties in carbides

International Nuclear Information System (INIS)

Matzke, Hj.

1984-01-01

Carbides of transition metals and of actinides are interesting and technologically important. The transition-metal carbides (or carbonitrides) are extensively being used as hard materials and some of them are of great interest because of the high transition temperature for superconductivity, e.g. 17 K for Nb(C,N). Actinide carbides and carbonitrides, (U,Pu)C and (U,Pu)(C,N) are being considered as promising advanced fuels for liquid metal cooled fast breeder nuclear reactors. Basic interest exists in all these materials because of their high melting points (e.g. 4250 K for TaC) and the unusually broad range of homogeneity of nonstoichiometric compositions (e.g. from UCsub(0.9) to UCsub(1.9) at 2500 K). Interaction of point defects to clusters and short-range ordering have recently been studied with elastic neutron diffraction and diffuse scattering techniques, and calculations of energies of formation and interaction of point defects became available for selected carbides. Diffusion measurements also exist for a number of carbides, in particular for the actinide carbides. The existing knowledge is discussed and summarized with emphasis on informative examples of particular technological relevance. (Auth.)

Classification of Phase Transitions by Microcanonical Inflection-Point Analysis

Science.gov (United States)

Qi, Kai; Bachmann, Michael

2018-05-01

By means of the principle of minimal sensitivity we generalize the microcanonical inflection-point analysis method by probing derivatives of the microcanonical entropy for signals of transitions in complex systems. A strategy of systematically identifying and locating independent and dependent phase transitions of any order is proposed. The power of the generalized method is demonstrated in applications to the ferromagnetic Ising model and a coarse-grained model for polymer adsorption onto a substrate. The results shed new light on the intrinsic phase structure of systems with cooperative behavior.

Two-dimensional melting of colloids with long-range attractive interactions.

Science.gov (United States)

Du, Di; Doxastakis, Manolis; Hilou, Elaa; Biswal, Sibani Lisa

2017-02-22

The solid-liquid melting transition in a two-dimensional (2-D) attractive colloidal system is visualized using superparamagnetic colloids that interact through a long-range isotropic attractive interaction potential, which is induced using a high-frequency rotating magnetic field. Various experiments, supported by Monte Carlo simulations, are carried out over a range of interaction potentials and densities to determine structure factors, Lindermann parameters, and translational and orientational order parameters. The system shows a first-order solid-liquid melting transition. Simulations and experiments suggest that dislocations and disclinations simultaneously unbind during melting. This is in direct contrast with reports of 2-D melting of paramagnetic particles that interact with a repulsive interaction potential.

Surface Observation and Pore Size Analyses of Polypropylene/Low-Melting Point Polyester Filter Materials: Influences of Heat Treatment

Directory of Open Access Journals (Sweden)

Lin Jia-Horng

2016-01-01

Full Text Available This study proposes making filter materials with polypropylene (PP and low-melting point (LPET fibers. The influences of temperatures and times of heat treatment on the morphology of thermal bonding points and average pore size of the PP/LPET filter materials. The test results indicate that the morphology of thermal bonding points is highly correlated with the average pore size. When the temperature of heat treatment is increased, the fibers are joined first with the thermal bonding points, and then with the large thermal bonding areas, thereby decreasing the average pore size of the PP/LPET filter materials. A heat treatment of 110 °C for 60 seconds can decrease the pore size from 39.6 μm to 12.0 μm.

High-purity metal-carbon eutectic systems as thermometric fixed points in the range from 1000 K to 3500 K; Des systemes eutectiques metal-carbone de grande purete comme points fixes de temperature dans l'intervalle 1000-3500 K

Energy Technology Data Exchange (ETDEWEB)

Bloembergen, P.; Yamada, Y.; Sasajima, N.; Yamamoto, N. [National Metrology Institute of Japan (NMIJ), AIST, Tsukuba (Japan); Torizuka, S.; Yoshida, N. [National Institute for Materials Science (NIMS), Tsukuba (Japan)

2004-12-01

A survey will be given of metal-carbon (M-C) and metal carbide-carbon (MC-C) systems presently in development for applications in thermometry in the range from 1000 K to about 3500 K. The advantages of these systems as fixed points at high temperatures as compared to systems relying on pure metals will be elucidated. Purification of the components making up the M-C or MC-C systems is a prerequisite to their implementation as reference fixed points in thermometry, requiring a high level of reproducibility of the eutectic temperature. To set an example a study on the effect of impurities on the eutectic transition of Fe-C is included in the survey. Experimentally obtained melting curves are compared with the curves calculated on the basis of a thermodynamic model, which includes the impurities in question as components. The calculations of the melting curves are based upon: (1) the Equilibrium solidification model and (2) the Scheil-Gulliver solidification model, which handle the effects of the impurities on the transition process in such a way that they may be assumed to set lower and upper boundaries to the associated melting ranges, respectively. We will conclude pointing out fields of common interest to materials science and thermometry within the realm of ultra-pure materials. (authors)

Melting of 2D monatomic solids: Lennard-Jones system

International Nuclear Information System (INIS)

Yi, Y.M.; Guo, Z.C.

1987-09-01

The Lennard-Jones interaction has been introduced into the Collins mix lattice of 2D liquids. By means of rigorous calculation of the total potential and the free area, the Gibbs functions for 2D liquid and solid have been derived. The melting line obtained from the phase transition equation agrees quite well with the result of recent computer simulation experiments. The obtained reduced temperature of the triple point T* t =0.438 agrees with the data measured in experiments of some inert gas monolayers adsorbed on graphite as well as in computer simulation experiments. (author). 11 refs, 7 figs, 3 tabs

Magnetic-field control of quantum critical points of valence transition.

Science.gov (United States)

Watanabe, Shinji; Tsuruta, Atsushi; Miyake, Kazumasa; Flouquet, Jacques

2008-06-13

We study the mechanism of how critical end points of first-order valence transitions are controlled by a magnetic field. We show that the critical temperature is suppressed to be a quantum critical point (QCP) by a magnetic field, and unexpectedly, the QCP exhibits nonmonotonic field dependence in the ground-state phase diagram, giving rise to the emergence of metamagnetism even in the intermediate valence-crossover regime. The driving force of the field-induced QCP is clarified to be cooperative phenomena of the Zeeman and Kondo effects, which create a distinct energy scale from the Kondo temperature. This mechanism explains the peculiar magnetic response in CeIrIn(5) and the metamagnetic transition in YbXCu(4) for X=In as well as the sharp contrast between X=Ag and Cd.

Observation of melting in 30 angstrom diameter CdS nanocrystals

International Nuclear Information System (INIS)

Goldstein, A.N.; Colvin, V.L.; Alivisatos, A.P.

1991-01-01

In this paper temperature dependent electron diffraction studies on 30 Angstrom diameter CdS nanocrystals are described. The linear thermal expansion coefficient of the nanocrystals is 2.75 * 10 -5 Angstrom/K, and the melting point is 575 K. These data are in contrast to bulk CdS which has a melting point of 1750 K and a linear expansion coefficient of 5.5 * 10 -6 Angstrom/K. The observed depression in the melting point of these semiconductor clusters is similar to effects observed in metals and molecular crystals, indicating that the phenomenon of reduced melting point in small systems is a general one regardless of the type of material. The observation of melting point depression in these clusters also has far reaching implications for the preparation of highly crystalline clusters of CdS, as well as for the use of these nanocrystals as precursors to thin films

Crack repair welding by CMT brazing using low melting point filler wire for long-term used steam turbine cases of Cr-Mo-V cast steels

Energy Technology Data Exchange (ETDEWEB)

Kadoi, Kota, E-mail: kadoi@hiroshima-u.ac.jp [Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Murakami, Aoi; Shinozaki, Kenji; Yamamoto, Motomichi [Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Matsumura, Hideo [Chugoku Electric Power Co., 3-9-1 Kagamiyama, Higashi-Hiroshima 739-0046 (Japan)

2016-06-01

Surface melting by gas tungsten arc (GTA) welding and overlaying by cold metal transfer (CMT) brazing using low melting point filler wire were investigated to develop a repair process for cracks in worn cast steel of steam turbine cases. Cr-Mo-V cast steel, operated for 188,500 h at 566 °C, was used as the base material. Silver and gold brazing filler wires were used as overlaying materials to decrease the heat input into the base metal and the peak temperature during the welding thermal cycle. Microstructural analysis revealed that the worn cast steel test samples contained ferrite phases with intragranular precipitates of Cr{sub 7}C{sub 3}, Mo{sub 2}C, and CrSi{sub 2} and grain boundary precipitates of Cr{sub 23}C{sub 6} and Mo{sub 2}C. CMT brazing using low melting point filler wire was found to decrease the heat input and peak temperature during the thermal cycle of the process compared with those during GTA surface melting. Thus, the process helped to inhibit the formation of hardened phases such as intermetallics and martensite in the heat affected zone (HAZ). Additionally, in the case of CMT brazing using BAg-8, the change in the hardness of the HAZ was negligible even though other processes such as GTA surface melting cause significant changes. The creep-fatigue properties of weldments produced by CMT brazing with BAg-8 were the highest, and nearly the same as those of the base metal owing to the prevention of hardened phase formation. The number of fracture cycles using GTA surface melting and CMT brazing with BAu-4 was also quite small. Therefore, CMT brazing using low melting point filler wire such as BAg-8 is a promising candidate method for repairing steam turbine cases. However, it is necessary to take alloy segregation during turbine operation into account to design a suitable filler wire for practical use.

Melting of anisotropic colloidal crystals in two dimensions

International Nuclear Information System (INIS)

Eisenmann, C; Keim, P; Gasser, U; Maret, G

2004-01-01

The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order

Melting of anisotropic colloidal crystals in two dimensions

Science.gov (United States)

Eisenmann, C.; Keim, P.; Gasser, U.; Maret, G.

2004-09-01

The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order.

Retrograde Melting and Internal Liquid Gettering in Silicon

Energy Technology Data Exchange (ETDEWEB)

Hudelson, Steve; Newman, Bonna K.; Bernardis, Sarah; Fenning, David P.; Bertoni, Mariana I.; Marcus, Matthew A.; Fakra, Sirine C.; Lai, Barry; Buonassisi, Tonio

2011-07-01

Retrograde melting (melting upon cooling) is observed in silicon doped with 3d transition metals, via synchrotron-based temperature-dependent X-ray microprobe measurements. Liquid metal-silicon droplets formed via retrograde melting act as efficient sinks for metal impurities dissolved within the silicon matrix. Cooling results in decomposition of the homogeneous liquid phase into solid multiple-metal alloy precipitates. These phenomena represent a novel pathway for engineering impurities in semiconductor-based systems.

Liquid-solid phase transition of Ge-Sb-Te alloy observed by in-situ transmission electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Berlin, Katja, E-mail: katja.berlin@pdi-berlin.de; Trampert, Achim

2017-07-15

Melting and crystallization dynamics of the multi-component Ge-Sb-Te alloy have been investigated by in-situ transmission electron microscopy (TEM). Starting point of the phase transition study is an ordered hexagonal Ge{sub 1}Sb{sub 2}Te{sub 4} thin film on Si(111) where the crystal structure and the chemical composition are verified by scanning TEM and electron energy-loss spectroscopy, respectively. The in-situ observation of the liquid phase at 600°C including the liquid-solid and liquid-vacuum interfaces and their movements was made possible due to an encapsulation of the TEM sample. The solid-liquid interface during melting displays a broad and diffuse transition zone characterized by a vacancy induced disordered state. Although the velocities of interface movements are measured to be in the nanometer per second scale, both, for crystallization and solidification, the underlying dynamic processes are considerably different. Melting reveals linear dependence on time, whereas crystallization exhibits a non-linear time-dependency featuring a superimposed start-stop motion. Our results may provide valuable insight into the atomic mechanisms at interfaces during the liquid-solid phase transition of Ge-Sb-Te alloys. - Highlights: • In-situ TEM observation of liquid Ge-Sb-Te phase transition due to encapsulation. • During melting: Observation of non-ordered interface transition due to premelting. • During solidification: Observation of non-linear time-dependent crystallization.

Liquid-solid phase transition of Ge-Sb-Te alloy observed by in-situ transmission electron microscopy

International Nuclear Information System (INIS)

Berlin, Katja; Trampert, Achim

2017-01-01

Melting and crystallization dynamics of the multi-component Ge-Sb-Te alloy have been investigated by in-situ transmission electron microscopy (TEM). Starting point of the phase transition study is an ordered hexagonal Ge 1 Sb 2 Te 4 thin film on Si(111) where the crystal structure and the chemical composition are verified by scanning TEM and electron energy-loss spectroscopy, respectively. The in-situ observation of the liquid phase at 600°C including the liquid-solid and liquid-vacuum interfaces and their movements was made possible due to an encapsulation of the TEM sample. The solid-liquid interface during melting displays a broad and diffuse transition zone characterized by a vacancy induced disordered state. Although the velocities of interface movements are measured to be in the nanometer per second scale, both, for crystallization and solidification, the underlying dynamic processes are considerably different. Melting reveals linear dependence on time, whereas crystallization exhibits a non-linear time-dependency featuring a superimposed start-stop motion. Our results may provide valuable insight into the atomic mechanisms at interfaces during the liquid-solid phase transition of Ge-Sb-Te alloys. - Highlights: • In-situ TEM observation of liquid Ge-Sb-Te phase transition due to encapsulation. • During melting: Observation of non-ordered interface transition due to premelting. • During solidification: Observation of non-linear time-dependent crystallization.

Thermalization calorimetry: A simple method for investigating glass transition and crystallization of supercooled liquids

DEFF Research Database (Denmark)

Jakobsen, Bo; Sanz, Alejandro; Niss, Kristine

2016-01-01

and their crystallization, e.g., for locating the glass transition and melting point(s), as well as for investigating the stability against crystallization and estimating the relative change in specific heat between the solid and liquid phases at the glass transition......We present a simple method for fast and cheap thermal analysis on supercooled glass-forming liquids. This “Thermalization Calorimetry” technique is based on monitoring the temperature and its rate of change during heating or cooling of a sample for which the thermal power input comes from heat...

Deep and persistent melt layer in the Archaean mantle

Science.gov (United States)

Andrault, Denis; Pesce, Giacomo; Manthilake, Geeth; Monteux, Julien; Bolfan-Casanova, Nathalie; Chantel, Julien; Novella, Davide; Guignot, Nicolas; King, Andrew; Itié, Jean-Paul; Hennet, Louis

2018-02-01

The transition from the Archaean to the Proterozoic eon ended a period of great instability at the Earth's surface. The origin of this transition could be a change in the dynamic regime of the Earth's interior. Here we use laboratory experiments to investigate the solidus of samples representative of the Archaean upper mantle. Our two complementary in situ measurements of the melting curve reveal a solidus that is 200-250 K lower than previously reported at depths higher than about 100 km. Such a lower solidus temperature makes partial melting today easier than previously thought, particularly in the presence of volatiles (H2O and CO2). A lower solidus could also account for the early high production of melts such as komatiites. For an Archaean mantle that was 200-300 K hotter than today, significant melting is expected at depths from 100-150 km to more than 400 km. Thus, a persistent layer of melt may have existed in the Archaean upper mantle. This shell of molten material may have progressively disappeared because of secular cooling of the mantle. Crystallization would have increased the upper mantle viscosity and could have enhanced mechanical coupling between the lithosphere and the asthenosphere. Such a change might explain the transition from surface dynamics dominated by a stagnant lid on the early Earth to modern-like plate tectonics with deep slab subduction.

Melting behaviour of raw materials and recycled stone wool waste

DEFF Research Database (Denmark)

Schultz-Falk, Vickie; Agersted, Karsten; Jensen, Peter Arendt

2018-01-01

Stone wool is a widely used material for building insulation, to provide thermal comfort along with fire stability and acoustic comfort for all types of buildings. Stone wool waste generated either during production or during renovation or demolition of buildings can be recycled back into the sto...... wool melt production. This study investigates and compares the thermal response and melting behaviour of a conventional stone wool charge and stone wool waste. The study combines differential scanning calorimetry (DSC), hot stage microscopy (HSM) and X-ray diffraction (XRD). DSC reveals...... that the conventional charge and stone wool waste have fundamentally different thermal responses, where the charge experiences gas release, phase transition and melting of the individual raw materials. The stone wool waste experiences glass transition, crystallization and finally melting. Both DSC and HSM measurements...

A New Method of Constructing a Drug-Polymer Temperature-Composition Phase Diagram Using Hot-Melt Extrusion.

Science.gov (United States)

Tian, Yiwei; Jones, David S; Donnelly, Conor; Brannigan, Timothy; Li, Shu; Andrews, Gavin P

2018-04-02

Current experimental methodologies used to determine the thermodynamic solubility of an API within a polymer typically involves establishing the dissolution/melting end point of the crystalline API within a physical mixture or through the use of the glass transition temperature measurement of a demixed amorphous solid dispersion. The measurable "equilibrium" points for solubility are normally well above the glass transition temperature of the system, meaning extrapolation is required to predict the drug solubility at pharmaceutically relevant temperatures. In this manuscript, we argue that the presence of highly viscous polymers in these systems results in experimental data that exhibits an under or overestimated value relative to the true thermodynamic solubility. In previous work, we demonstrated the effects of experimental conditions and their impact on measured and predicted thermodynamic solubility points. In light of current understanding, we have developed a new method to limit error associated with viscosity effects for application in small-scale hot-melt extrusion (HME). In this study, HME was used to generate an intermediate (multiphase) system containing crystalline drug, amorphous drug/polymer-rich regions as well as drug that was molecularly dispersed in polymer. An extended annealing method was used together with high-speed differential scanning calorimetry to accurately determine the upper and lower boundaries of the thermodynamic solubility of a model drug-polymer system (felodipine and Soluplus). Compared to our previously published data, the current results confirmed our hypothesis that the prediction of the liquid-solid curve using dynamic determination of dissolution/melting end point of the crystalline API physical mixture presents an underestimation relative to the thermodynamic solubility point. With this proposed method, we were able to experimentally measure the upper and lower boundaries of the liquid-solid curve for the model system. The

Multiple superconducting transition and phase separation in melt-textured YBa{sub 2}Cu{sub 3}O{sub 7−d}

Energy Technology Data Exchange (ETDEWEB)

Menegotto Costa, R. [Instituto de Matemática, Estatística e Física, Universidade Federal do Rio Grande (FURG), Campus Carreiros, Rio Grande, RS (Brazil); Dias, F.T. [Instituto de Física e Matemática, Universidade Federal de Pelotas (UFPel), Caixa Postal 354, 96010-900 Pelotas, RS (Brazil); Pureur, P., E-mail: ppureur@if.ufrgs.br [Instituto de Física, Universidade Federal do Rio Grande do Sul (UFRGS), Caixa Postal 15051, 91501-970 Porto Alegre, RS (Brazil); Obradors, X. [Institut de Ciéncia de Materials de Barcelona, CSIC, Universitat Autònoma de Barcelona, 08193 Bellaterra (Spain)

2013-12-15

Highlights: •We report on experimental measurements of the temperature derivative of the resistivity in the region encompassing the superconducting transition in melt-textured samples of the YBa{sub 2}Cu{sub 3}O{sub 7−d} cuprate superconductor. •A complex and subtle multi-peak structure is observed in d{ρ}/dT. •We develop a new method to quantitatively describe the resistive transition of a multi-phased superconductor. •The pseudo-spectral structure observed in d{ρ}/dT is ascribed to a phase separation phenomenon driven by the ordering of labile oxygen atoms in the Cu–O chain substructure. -- Abstract: We report on careful measurements of the temperature derivative of the resistivity, dρ/dT, in the region encompassing the superconducting transition of melt-textured samples of the YBa{sub 2}Cu{sub 3}O{sub 7−d} cuprate superconductor. Measurements were carried out in orientations parallel and perpendicular to the Cu − O{sub 2} atomic planes in the presence of small magnetic fields applied parallel to the current orientation. The dρ/dT results reveal the occurrence of complex multi-peak structures that were analyzed with a new method based on the assumption that a simple series association of conductivities is adequate for describing the resistive transition of multiphased superconductors. We ascribe the multi-peak structure observed in the derivative measurements to a subtle and complex phase separation phenomenon leading to the stabilization of domains having slightly different electronic properties that are related to the ordering of labile oxygen atoms in the YBa{sub 2}Cu{sub 3}O{sub 7−d} chain sub-structure.

Transient fuel melting

International Nuclear Information System (INIS)

Roche, L.; Schmitz, F.

1982-10-01

The observation of micrographic documents from fuel after a CABRI test leads to postulate a specific mode of transient fuel melting during a rapid nuclear power excursion. When reaching the melt threshold, the bands which are characteristic for the solid state are broken statistically over a macroscopic region. The time of maintaining the fuel at the critical enthalpy level between solid and liquid is too short to lead to a phase separation. A significant life-time (approximately 1 second) of this intermediate ''unsolide'' state would have consequences on the variation of physical properties linked to the phase transition solid/liquid: viscosity, specific volume and (for the irradiated fuel) fission gas release [fr

Methods for Melting Temperature Calculation

Science.gov (United States)

Hong, Qi-Jun

Melting temperature calculation has important applications in the theoretical study of phase diagrams and computational materials screenings. In this thesis, we present two new methods, i.e., the improved Widom's particle insertion method and the small-cell coexistence method, which we developed in order to capture melting temperatures both accurately and quickly. We propose a scheme that drastically improves the efficiency of Widom's particle insertion method by efficiently sampling cavities while calculating the integrals providing the chemical potentials of a physical system. This idea enables us to calculate chemical potentials of liquids directly from first-principles without the help of any reference system, which is necessary in the commonly used thermodynamic integration method. As an example, we apply our scheme, combined with the density functional formalism, to the calculation of the chemical potential of liquid copper. The calculated chemical potential is further used to locate the melting temperature. The calculated results closely agree with experiments. We propose the small-cell coexistence method based on the statistical analysis of small-size coexistence MD simulations. It eliminates the risk of a metastable superheated solid in the fast-heating method, while also significantly reducing the computer cost relative to the traditional large-scale coexistence method. Using empirical potentials, we validate the method and systematically study the finite-size effect on the calculated melting points. The method converges to the exact result in the limit of a large system size. An accuracy within 100 K in melting temperature is usually achieved when the simulation contains more than 100 atoms. DFT examples of Tantalum, high-pressure Sodium, and ionic material NaCl are shown to demonstrate the accuracy and flexibility of the method in its practical applications. The method serves as a promising approach for large-scale automated material screening in which

Fabrication of a mini multi-fixed-point cell for the calibration of industrial platinum resistance thermometers

Science.gov (United States)

Ragay-Enot, Monalisa; Lee, Young Hee; Kim, Yong-Gyoo

2017-07-01

A mini multi-fixed-point cell (length 118 mm, diameter 33 mm) containing three materials (In-Zn eutectic (mass fraction 3.8% Zn), Sn and Pb) in a single crucible was designed and fabricated for the easy and economical fixed-point calibration of industrial platinum resistance thermometers (IPRTs) for use in industrial temperature measurements. The melting and freezing behaviors of the metals were investigated and the phase transition temperatures were determined using a commercial dry-block calibrator. Results showed that the melting plateaus are generally easy to realize and are reproducible, flatter and of longer duration. On the other hand, the freezing process is generally difficult, especially for Sn, due to the high supercooling required to initiate freezing. The observed melting temperatures at optimum set conditions were 143.11 °C (In-Zn), 231.70 °C (Sn) and 327.15 °C (Pb) with expanded uncertainties (k  = 2) of 0.12 °C, 0.10 °C and 0.13 °C, respectively. This multi-fixed-point cell can be treated as a sole reference temperature-generating system. Based on the results, the realization of melting points of the mini multi-fixed-point cell can be recommended for the direct calibration of IPRTs in industrial applications without the need for a reference thermometer.

New transition in the vortex liquid state of YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Kwok, Wai-Kwong; Karapetrov, Goran; Welp, Ulrich; Rydh, Andreas; Crabtree, George W.; Paulius, Lisa; Figueras, Jordi; Puig, Teresa; Obradors, X.

2006-01-01

We have carried out angular dependent magneto-transport measurements on optimally doped, untwinned YBa 2 Cu 3 O 7-δ crystals irradiated with high energy heavy ions to determine the onset of vortex line tension in the vortex liquid state. The dose matching field was controlled and kept at a low level to partially preserve the first order vortex lattice melting transition. A Bose glass transition is observed below the lower critical point which then transforms into a first order phase transition near 4 T. We find that the locus of points which indicates the onset of vortex line tension overlaps with the Bose glass transition line at low fields and then deviates at higher fields, indicating a new transition line in the vortex liquid state. This new line in the vortex liquid phase is dose independent and extends beyond the upper critical point

Optical characterization of phase transitions in pure polymers and blends

Energy Technology Data Exchange (ETDEWEB)

Mannella, Gianluca A.; Brucato, Valerio; La Carrubba, Vincenzo, E-mail: vincenzo.lacarrubba@unipa.it [Department of Civil, Environmental, Aerospace and Materials Engineering (DICAM), University of Palermo, Viale delle Scienze, Ed. 8, 90128 Palermo (Italy)

2015-12-17

To study the optical properties of polymeric samples, an experimental apparatus was designed on purpose and set up. The sample is a thin film enclosed between two glass slides and a PTFE frame, with a very thin thermocouple placed on sample for direct temperature measurement. This sample holder was placed between two aluminum slabs, equipped with a narrow slit for optical measurements and with electrical resistances for temperature control. Sample was enlightened by a laser diode, whereas transmitted light was detected with a photodiode. Measurements were carried out on polyethylene-terephtalate (PET) and two different polyamides, tested as pure polymers and blends. The thermal history imposed to the sample consisted in a rapid heating from ambient temperature to a certain temperature below the melting point, a stabilization period, and then a heating at constant rate. After a second stabilization period, the sample was cooled. The data obtained were compared with DSC measurements performed with the same thermal history. In correspondence with transitions detected via DSC (e.g. melting, crystallization and cold crystallization), the optical signal showed a steep variation. In particular, crystallization resulted in a rapid decrease of transmitted light, whereas melting gave up an increase of light transmitted by the sample. Further variations in transmitted light were recorded for blends, after melting: those results may be related to other phase transitions, e.g. liquid-liquid phase separation. All things considered, the apparatus can be used to get reliable data on phase transitions in polymeric systems.

Optical characterization of phase transitions in pure polymers and blends

International Nuclear Information System (INIS)

Mannella, Gianluca A.; Brucato, Valerio; La Carrubba, Vincenzo

2015-01-01

To study the optical properties of polymeric samples, an experimental apparatus was designed on purpose and set up. The sample is a thin film enclosed between two glass slides and a PTFE frame, with a very thin thermocouple placed on sample for direct temperature measurement. This sample holder was placed between two aluminum slabs, equipped with a narrow slit for optical measurements and with electrical resistances for temperature control. Sample was enlightened by a laser diode, whereas transmitted light was detected with a photodiode. Measurements were carried out on polyethylene-terephtalate (PET) and two different polyamides, tested as pure polymers and blends. The thermal history imposed to the sample consisted in a rapid heating from ambient temperature to a certain temperature below the melting point, a stabilization period, and then a heating at constant rate. After a second stabilization period, the sample was cooled. The data obtained were compared with DSC measurements performed with the same thermal history. In correspondence with transitions detected via DSC (e.g. melting, crystallization and cold crystallization), the optical signal showed a steep variation. In particular, crystallization resulted in a rapid decrease of transmitted light, whereas melting gave up an increase of light transmitted by the sample. Further variations in transmitted light were recorded for blends, after melting: those results may be related to other phase transitions, e.g. liquid-liquid phase separation. All things considered, the apparatus can be used to get reliable data on phase transitions in polymeric systems

A universal reduced glass transition temperature for liquids

Science.gov (United States)

Fedors, R. F.

1979-01-01

Data on the dependence of the glass transition temperature on the molecular structure for low-molecular-weight liquids are analyzed in order to determine whether Boyer's reduced glass transition temperature (1952) is a universal constant as proposed. It is shown that the Boyer ratio varies widely depending on the chemical nature of the molecule. It is pointed out that a characteristic temperature ratio, defined by the ratio of the sum of the melting temperature and the boiling temperature to the sum of the glass transition temperature and the boiling temperature, is a universal constant independent of the molecular structure of the liquid. The average value of the ratio obtained from data for 65 liquids is 1.15.

Roles of pinning strength and density in vortex melting

International Nuclear Information System (INIS)

Obaidat, I M; Khawaja, U Al; Benkraouda, M

2008-01-01

We have investigated the role of pinning strength and density on the equilibrium vortex-lattice to vortex-liquid phase transition under several applied magnetic fields. This study was conducted using a series of molecular dynamic simulations on several samples with different strengths and densities of pinning sites which are arranged in periodic square arrays. We have found a single solid-liquid vortex transition when the vortex filling factor n>1. We have found that, for fixed pinning densities and strengths, the melting temperature, T m , decreases almost linearly with increasing magnetic field. Our results provide direct numerical evidence for the significant role of both the strength and density of pinning centers on the position of the melting line. We have found that the vortex-lattice to vortex-liquid melting line shifts up as the pinning strength or the pinning density was increased. The effect on the melting line was found to be more pronounced at small values of strength and density of pinning sites

Melt-gas phase equilibria and state diagrams of the selenium-tellurium system

Science.gov (United States)

Volodin, V. N.; Trebukhov, S. A.; Burabaeva, N. M.; Nitsenko, A. V.

2017-05-01

The partial pressures of saturated vapor of the components in the Se-Te system are determined and presented in the form of temperature-concentration dependences from which the boundaries of the melt-gas phase transition are calculated at atmospheric pressure and vacuums of 2000 and 100 Pa. The existence of azeotropic mixtures is revealed. It is found that the points of inseparably boiling melts correspond to 7.5 at % of Se and 995°C at 101325 Pa, 10.9 at % at 673°C and 19.5 at % at 522°C in vacuums of 2000 and 100 Pa, respectively. A complete state diagram is constructed, including the fields of gas-liquid equilibria at atmospheric and low pressures, the boundaries of which allow us to assess the behavior of selenium and tellurium upon distillation fractionation.

The effect of point defects on ferroelastic phase transition of lanthanum-doped calcium titanate ceramics

International Nuclear Information System (INIS)

Ni, Yan; Zhang, Zhen; Wang, Dong; Wang, Yu; Ren, Xiaobing

2013-01-01

Highlights: ► The effect of point defects on phase transitions in Ca (1−x) La 2x/3 TiO 3 was studied. ► When x = 0.45, normal ferroelastic phase transition happens. ► When x = 0.7, a “glassy-like” frozen process appears. ► Point defects weaken the thermodynamic stability of ferroelastic phase. ► Point defects induce a “glassy-like” frozen process. -- Abstract: In the present paper, La-doped CaTiO 3 is studied to investigate the effect of point defects on ferroelastic phase transition of the ceramics. The dynamic mechanical measurements show that the transition temperature of the orthorhombic to tetragonal phase transition of Ca (1−x) La 2x/3 TiO 3 decreases with increasing dopant (La) concentration x. The samples with the dopant content of x = 0.45 and 0.7 exhibit different structure evolution features during their transition processes as revealed by in situ powder X-ray diffraction (XRD) measurement. Moreover, when x = 0.7, the storage modulus shows a frequency-dependent minimum at T g , which can be well fitted with the Vogel–Fulcher relation, and the corresponding internal friction also exhibits a frequency-dependent peak within the same temperature regime. These results thus indicate that doping La suppresses ferroelastic phase transition in CaTiO 3 and induces a “glassy-like” behavior in Ca (1−x) La 2x/3 TiO 3 , which is similar to “strain glass” in Ni-doped Ti 50−x Ni 50+x

Effect of block composition on thermal properties and melt viscosity of poly[2-(dimethylaminoethyl methacrylate], poly(ethylene oxide and poly(propylene oxide block co-polymers

Directory of Open Access Journals (Sweden)

2011-09-01

Full Text Available To modify the rheological properties of certain commercial polymers, a set of block copolymers were synthesized through oxyanionic polymerization of 2-(dimethylaminoethyl methacrylate to the chain ends of commercial prepolymers, namely poly(ethylene oxide (PEO, poly(ethylene oxide-block-poly(propylene oxide-block-poly(ethylene oxide (PEO-PPO-PEO, and poly(propylene oxide (PPO. The formed block copolymers were analysed with size exclusion chromatography and nuclear magnetic resonance spectroscopy in order to confirm block formation. Thermal characterization of the resulting polymers was done with differential scanning calorimetry. Thermal transition points were also confirmed with rotational rheometry, which was primarily used to measure melt strength properties of the resulting block co-polymers. It was observed that the synthesised poly[2-(dimethylaminoethyl methacrylate]-block (PDM affected slightly the thermal transition points of crystalline PEO-block but the influence was stronger on amorphous PPO-blocks. Frequency sweeps measured above the melting temperatures for the materials confirmed that the pre-polymers (PEO and PEO-PPO-PEO behave as Newtonian fluids whereas polymers with a PDM block structure exhibit clear shear thinning behaviour. In addition, the PDM block increased the melt viscosity when compared with that one of the pre-polymer. As a final result, it became obvious that pre-polymers modified with PDM were in entangled form, in the melted state as well in the solidified form.

Aging effects around the glass and melting transitions in poly(dimethylsiloxane) visualized by resistance measurements [erratum in Applied Physics Letters 85 (16) 3638-3638

NARCIS (Netherlands)

Brom, H.B.; Romijn, I.G.; Magis, J.G.; van der Vleuten, M.; Michels, M.A.J.

2004-01-01

The aging effects around the glass and melting transitions in poly(dimethylsiloxane) were investigated. Small amounts of carbon-black (CB) particles were dispersed in a fractal network in nonconducting rubbers for monitoring the structural changes on small length scales due to aging. Long time

Exceptional points near first- and second-order quantum phase transitions.

Science.gov (United States)

Stránský, Pavel; Dvořák, Martin; Cejnar, Pavel

2018-01-01

We study the impact of quantum phase transitions (QPTs) on the distribution of exceptional points (EPs) of the Hamiltonian in the complex-extended parameter domain. Analyzing first- and second-order QPTs in the Lipkin-Meshkov-Glick model we find an exponentially and polynomially close approach of EPs to the respective critical point with increasing size of the system. If the critical Hamiltonian is subject to random perturbations of various kinds, the averaged distribution of EPs close to the critical point still carries decisive information on the QPT type. We therefore claim that properties of the EP distribution represent a parametrization-independent signature of criticality in quantum systems.

CATALYST-FREE REACTIONS UNDER SOLVENT-FEE CONDITIONS: MICROWAVE-ASSISTED SYNTHESIS OF HETEROCYCLIC HYDRAZONES BELOW THE MELTING POINT OF NEAT REACTANTS: JOURNAL ARTICLE

Science.gov (United States)

NRMRL-CIN-1437 Jeselnik, M., Varma*, R.S., Polanc, S., and Kocevar, M. Catalyst-free Reactions under Solvent-fee Conditions: Microwave-assisted Synthesis of Heterocyclic Hydrazones below the Melting Point of Neat Reactants. Published in: Chemical Communications 18:1716-1717 (200...

Study on the Melting Point Depression of Tin Nanoparticles Manufactured by Modified Evaporation Method

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyun Jin; Beak, Il Kwon; Kim, Kyu Han; Jang, Seok Pil [Korea Aerospace University, Goyang (Korea, Republic of)

2014-08-15

In the present study, the melting temperature depression of Sn nanoparticles manufactured using the modified evaporation method was investigated. For this purpose, a modified evaporation method with mass productivity was developed. Using the manufacturing process, Sn nanoparticles of 10 nm size was manufactured in benzyl alcohol solution to prevent oxidation. To examine the morphology and size distribution of the nanonoparticles, a transmission electron microscope was used. The melting temperature of the Sn nanoparticles was measured using a Differential scanning calorimetry (DSC) which can calculate the endothermic energy during the phase changing process and an X-ray photoelectron spectroscopy (XPS) used for observing the manufactured Sn nanoparticle compound. The melting temperature of the Sn nanoparticles was observed to be 129 ℃, which is 44 ℃ lower than that of the bulk material. Finally, the melting temperature was compared with the Gibbs Thomson and Lai's equations, which can predict the melting temperature according to the particle size. Based on the experimental results, the melting temperature of the Sn nanoparticles was found to match well with those recommended by the Lai's equation.

Melting the diquark condensate in two-color QCD: A renormalization group analysis

International Nuclear Information System (INIS)

Wirstam, J.; Lenaghan, J.T.; Splittorff, K.

2003-01-01

We use a Landau theory and the ε expansion to study the superfluid phase transition of two-color QCD at a nonzero temperature T and baryonic chemical potential μ. At low T, and for N f flavors of massless quarks, the global SU(N f )xSU(N f )xU(1) symmetry is spontaneously broken by a diquark condensate down to Sp(N f )xSp(N f ) for any μ>0. As the temperature increases, the diquark condensate melts, and at sufficiently large T the symmetry is restored. Using renormalization group arguments, we find that in the presence of the chiral anomaly term there can be a second order phase transition when N f =2 or N f ≥6, while the transition is first order for N f =4. We discuss the relevance of these results for the emergence of a tricritical point recently observed in lattice simulations

Molecular dynamics for near melting temperatures simulations of metals using modified embedded-atom method

Science.gov (United States)

Etesami, S. Alireza; Asadi, Ebrahim

2018-01-01

Availability of a reliable interatomic potential is one of the major challenges in utilizing molecular dynamics (MD) for simulations of metals at near the melting temperatures and melting point (MP). Here, we propose a novel approach to address this challenge in the concept of modified-embedded-atom (MEAM) interatomic potential; also, we apply the approach on iron, nickel, copper, and aluminum as case studies. We propose adding experimentally available high temperature elastic constants and MP of the element to the list of typical low temperature properties used for the development of MD interatomic potential parameters. We show that the proposed approach results in a reasonable agreement between the MD calculations of melting properties such as latent heat, expansion in melting, liquid structure factor, and solid-liquid interface stiffness and their experimental/computational counterparts. Then, we present the physical properties of mentioned elements near melting temperatures using the new MEAM parameters. We observe that the behavior of elastic constants, heat capacity and thermal linear expansion coefficient at room temperature compared to MP follows an empirical linear relation (α±β × MP) for transition metals. Furthermore, a linear relation between the tetragonal shear modulus and the enthalpy change from room temperature to MP is observed for face-centered cubic materials.

Branching points for transition pathways: assessing responses of actors to challenges on pathways to a low carbon future

International Nuclear Information System (INIS)

Foxon, Timothy J.; Pearson, Peter J.G.; Arapostathis, Stathis; Carlsson-Hyslop, Anna; Thornton, Judith

2013-01-01

This paper describes initial analysis of branching points on a set of transition pathways to a UK low carbon electricity future by 2050. As described in other papers in this special issue, we are exploring and analysing a set of core transition pathways, based on alternative governance patterns in which the ‘logics’ of market actors, government actors and civil society actors, respectively dominate. This core pathway analysis is enhanced by analyses of branching points within and across the pathways, which informs how competition between different logics plays out at key decision points. Branching points are defined as key decision points at which choices made by actors, in response to internal or external stresses or triggers, determine whether and in what ways the pathway is followed. A set of initial branching points for our three core transition pathways is identified through project and stakeholder workshops, and drawing on analysis of actors’ choices and responses at past branching points in energy system transitions. The potential responses of the actors are identified at these branching points, and risk mitigation strategies are formulated for the dominant actors to reinforce that pathway, as well as opportunities for actors to move away from the pathway. - Highlights: Transition Pathways is analysing three potential pathways to a low carbon future. ► Stresses lead to branching points, where actors make choices, creating pathways. ► These choices may lead to path-dependency. ► Differences in governance logics within transition pathways are also analysed. ► Studying branching points adds theoretical understanding and policy relevance to TP.

Melting and related precursor cooperative phenomena in chemically bonded assemblies

International Nuclear Information System (INIS)

March, N.H.

2004-09-01

A number of experimental studies of condensed matter assemblies with different types of chemical bonding will provide the focus of this work. Condensed compounds X(CH 3 ) 4 , with X = C,Si or Ge, are the first of such assemblies; two phase boundaries in the pressure temperature plane being studied: melting and a solid phase boundary heralding orientational disordering of molecules still however on a lattice. Secondly, directionally bonded d-electron transition metals such as Ni, Pd and Nb will be treated. Here, melting is the main focus, but the precursor transition is now the separation of a high-temperature ductile solid from a lower temperature mechanically brittle phase. A dislocation-mediated model of these transitions is discussed, leading into the third area of covalently bonded solids graphite and silicon. Here topological defect models again provide the focus; both dislocations and rotation-dislocations now being invoked. Some qualitative suggestions are made to interpret the melting curve of graphite subjected to high pressure. (author)

Plasma arc melting of titanium-tantalum alloys

International Nuclear Information System (INIS)

Dunn, P.; Patterson, R.A.; Haun, R.

1994-01-01

Los Alamos has several applications for high temperature, oxidation and liquid-metal corrosion resistant materials. Further, materials property constraints are dictated by a requirement to maintain low density; e.g., less than the density of stainless steel. Liquid metal compatibility and density requirements have driven the research toward the Ti-Ta system with an upper bound of 60 wt% Ta-40 wt% Ti. Initial melting of these materials was performed in a small button arc melter with several hundred grams of material; however, ingot quantities were soon needed. But, refractory metal alloys whose constituents possess very dissimilar densities, melting temperatures and vapor pressures pose significant difficulty and require specialized melting practices. The Ti-Ta alloys fall into this category with the density of tantalum 16.5 g/cc and that of titanium 4.5 g/cc. Melting is further complicated by the high melting point of Ta(3020 C) and the relatively low boiling point of Ti(3287 C). Previous electron beam melting experience with these materials resulted, in extensive vaporization of the titanium and poor chemical homogeneity. Vacuum arc remelting(VAR) was considered as a melting candidate and discarded due to density and vapor pressure issues associated with electron beam. Plasma arc melting offered the ability to supply a cover gas to deal with vapor pressure issues as well as solidification control to help with macrosegregation in the melt and has successfully produced high quality ingots of the Ti-Ta alloys

Tricritical point of a ferromagnetic transition in UGe2

International Nuclear Information System (INIS)

Kabeya, N; Iijima, R; Osaki, E; Ban, S; Imura, K; Deguchi, K; Sato, N K; Aso, N; Homma, Y; Shiokawa, Y

2010-01-01

Thermal expansion and magnetostriction measurements of the superconducting ferromagnet UGe 2 under pressure were carried out. The temperature dependence of the thermal expansion coefficient shows a peak at the Curie temperature. When pressure is varied, the peak exhibits a maximum in the vicinity of a tricritical point (TCP), which separates the second-order phase transition from the first-order transition. From results of these measurements, we first construct the magnetic phase diagram including the TCP (P TCP ∼ 12.5 kbar). We also show that two lines characterizing the metamagnetism and the magnetic susceptibility emerge from the TCP. We argue that these magnetic properties in the vicinity of the TCP can be understood within a phenomenological frame of spin fluctuations.

LANGEVIN DYNAMICS OF THE TWO STAGE MELTING TRANSITION OF VORTEX MATTER IN Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} IN THE PRESENCE OF STRAIGHT AND OF TILTED COLUMNAR DEFECTS

Energy Technology Data Exchange (ETDEWEB)

GOLDSCHMIDT, YADIN Y.; LIU, Jin-Tao

2007-08-07

In this paper we use London Langevin molecular dynamics simulations to investigate the vortex matter melting transition in the highly anisotropic high-temperature superconductor material Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} in the presence of low concentration of columnar defects (CDs). We reproduce with further details our previous results obtained by using Multilevel Monte Carlo simulations that showed that the melting of the nanocrystalline vortex matter occurs in two stages: a first stage melting into nanoliquid vortex matter and a second stage delocalization transition into a homogeneous liquid. Furthermore, we report on new dynamical measurements in the presence of a current that identifies clearly the irreversibility line and the second stage delocalization transition. In addition to CDs aligned along the c-axis we also simulate the case of tilted CDs which are aligned at an angle with respect to the applied magnetic field. Results for CDs tilted by 45{degree} with respect to c-axis show that the locations of the melting and delocalization transitions are not affected by the tilt when the ratio of flux lines to CDs remains constant. On the other hand we argue that some dynamical properties and in particular the position of the irreversibility line should be affected.

SAXS study of transient pre-melting in chain-folded alkanes

International Nuclear Information System (INIS)

Ungar, G.; Wills, H.H.

1990-01-01

A pronounced pre-melting effect is observed in chain-folded crystals of pure monodisperse n-alkane C 246 H 494 . The effect is reversible on a short time scale, but at longer times the once-folded chain crystals are irreversibly lost as slow chain extension proceeds by solid diffusion well below the melting point. The melting process is thus monitored by rapid time-resolved small-angle X-ray (SAXS) measurements, using synchrotron radiation. The results show that the observed pronounced broadening of the DSC melting endotherm for chain-folded crystals is entirely due to genuine pre-melting of lamellar surfaces. Although a significant portion of material is already molten below the final melting point of chain-folded crystals T F , no recrystallization in the chain-extended form can occur until the cores of the crystalline lamellae melt at T F . Pre-melting of extended chain crystals is significantly less pronounced than that of folded chain crystals

Search for signatures of phase transition and critical point in heavy ion collisions

International Nuclear Information System (INIS)

Tokarev, M.V.; Kechechyan, A.; Alakhverdyants, A.; Zborovsky, I.

2011-01-01

The general concepts in the critical phenomena related with the notions of 'scaling' and 'universality' are considered. Behavior of various systems near a phase transition is displayed. Search for clear signatures of the phase transition of the nuclear matter and location of the critical point in heavy ion collisions (HIC) is discussed. The experimental data on inclusive spectra measured in HIC at RHIC and SPS over a wide range of energies s NN 1/2 = 9-200 GeV are analyzed in the framework of z-scaling. A microscopic scenario of the constituent interactions is presented. Dependence of the energy loss on the momentum of the produced hadron, energy and centrality of the collision is studied. Self-similarity of the constituent interactions described in terms of momentum fractions is used to characterize the nuclear medium by 'specific heat' and colliding nuclei by fractal dimensions. Preferable kinematical regions to search for signatures of the phase transition of the nuclear matter produced in HIC are discussed. Discontinuity of the 'specific heat' is assumed to be a signature of the phase transition and the critical point

Turbulence simulations of X point physics on the L-H transitions

International Nuclear Information System (INIS)

Xu, X.Q.; Cohen, R.H.; Nevins, W.M.

2001-01-01

We show that the resistive X-point mode is the dominant mode in boundary plasmas in X-point divertor geometry. The poloidal fluctuation phase velocity from the simulation results of the resistive X-point turbulence shows experimentally measured structure across separatrix in many fusion devices. The fluctuation phase velocity is larger than ExB velocity both in L and H mode phases. We also demonstrate that there is a strong poloidal asymmetry of particle flux in the proximity of the separatrix. Turbulence suppression in the L-H transition results when sources of energy and particles drive sufficient gradients as in the experiments. (author)

Onset and end of the summer melt season over sea ice: thermal structure and surface energy perspective from SHEBA

Energy Technology Data Exchange (ETDEWEB)

Persson, P.O.G. [University of Colorado, Cooperative Institute for Research in Environmental Sciences (CIRES), Boulder, CO (United States); National Oceanic and Atmospheric Administration/Earth Systems Research Laboratory, Physical Sciences Division (NOAA/ESRL/PSD), Boulder, CO (United States)

2012-09-15

Various measurements from the Surface Heat Flux of the Arctic Ocean (SHEBA) experiment have been combined to study structures and processes producing the onset and end of summer melt over Arctic sea ice. The analysis links the surface energy budget to free-troposphere synoptic variables, clouds, precipitation, and in-ice temperatures. The key results are (1) SHEBA melt-season transitions are associated with atmospheric synoptic events (2) onset of melt clearly occurs on May 28, while the end of melt is produced by a sequence of three atmospheric storm events over a 28-day period producing step-like reductions in the net surface energy flux. The last one occurs on August 22.; (3) melt onset is primarily due to large increases in the downwelling longwave radiation and modest decreases in the surface albedo; (4) decreases in the downwelling longwave radiation occur for all end-of-melt transition steps, while increases in surface albedo occur for the first two; (5) decreases in downwelling shortwave radiation contribute only to the first end-of-melt transition step; (6) springtime free-tropospheric warming preconditions the atmosphere-ice system for the subsequent melt onset; and (7) melt-season transitions also mark transitions in system responses to radiative energy flux changes because of invariant melt-season surface temperatures. The extensive SHEBA observations enable an understanding of the complex processes not available from other field program data. The analysis provides a basis for future testing of the generality of the results, and contributes to better physical understanding of multi-year analyses of melt-season trends from less extensive data sets. (orig.)

X-points in the spectral emissivity of solid and liquid refractory transition metals measured by multichannel pyrometry. Discussion of the experimental method and physical interpretation

International Nuclear Information System (INIS)

Ronchi, C.; Hiernaut, J.P.; Hyland, G.J.

1993-01-01

The spectral emissivities of some refractory Transition metals (Hf, Mo, Nb, Re, V, W and Zr) have been measured from about 2500 K up to temperatures above the melting point T m . The experimental method adopted is based on multiwavelength pyrometric measurements, where the determination of the spectral emissivity is implicitly related to the evaluation of temperature through the radiation emission law and an assumed relationship between the spectral emissivity ε and the wavelength λ. Heating was produced with a pulsed laser in times of the order of 100 ms. A specially constructed pyrometer was used which enabled measurements at six different wavelengths to be carried out at time intervals of the order of 0.1 ms. A model for the evaluation of temperature and spectral emissivities has been developed and its limitations due to statistical and systematic errors are discussed. Our experiments confirm the existence of a unique wavelength, λ-x for each metal to which different ε λ -isotherms converge for λ x and from which they diverge for λ>λ x and at which ε λ is independent of T, and thus equal, in particular, to its value at T m , indicate that λ x is preserved through T m and reveal that at T m these metals are effectively 'grey'. Detailed theoretical investigations reveal that the occurrence of the λ x points is intimately connected with the particular T and λ dependences of the interband contribution to the imaginary part of the complex dielectric function entailed by specific features of the electronic band-structure of the Transition metals concerned. Finally, in connection with the 'grey' phenomenon at T m , it should be stressed that this is not found in the case of the Noble metals, although, like Transition metals, they exhibit λ x points, despite their quite different band-structures. (author). 56 refs., 8 figs., 5 tabs

Solid Lipid Nanoparticle Formulations of Docetaxel Prepared with High Melting Point Triglycerides: In Vitro and in Vivo Evaluation

Science.gov (United States)

2015-01-01

Docetaxel (DCX) is a second generation taxane. It is approved by the U.S. Food and Drug Administration for the treatment of various types of cancer, including breast, non-small cell lung, and head and neck cancers. However, side effects, including those related to Tween 80, an excipient in current DCX formulations, can be severe. In the present study, we developed a novel solid lipid nanoparticle (SLN) composition of DCX. Trimyristin was selected from a list of high melting point triglycerides as the core lipid component of the SLNs, based on the rate at which the DCX was released from the SLNs and the stability of the SLNs. The trimyristin-based, PEGylated DCX-incorporated SLNs (DCX-SLNs) showed significantly higher cytotoxicity against various human and murine cancer cells in culture, as compared to DCX solubilized in a Tween 80/ethanol solution. Moreover, in a mouse model with pre-established tumors, the new DCX-SLNs were significantly more effective than DCX solubilized in a Tween 80/ethanol solution in inhibiting tumor growth without toxicity, likely because the DCX-SLNs increased the concentration of DCX in tumor tissues, but decreased the levels of DCX in major organs such as liver, spleen, heart, lung, and kidney. DCX-incorporated SLNs prepared with one or more high-melting point triglycerides may represent an improved DCX formulation. PMID:24621456

Multiscale Models of Melting Arctic Sea Ice

Science.gov (United States)

2014-09-30

Sea ice reflectance or albedo , a key parameter in climate modeling, is primarily determined by melt pond and ice floe configurations. Ice - albedo ...determine their albedo - a key parameter in climate modeling. Here we explore the possibility of a conceptual sea ice climate model passing through a...bifurcation points. Ising model for melt ponds on Arctic sea ice Y. Ma, I. Sudakov, and K. M. Golden Abstract: The albedo of melting

Printing low-melting-point alloy ink to directly make a solidified circuit or functional device with a heating pen.

Science.gov (United States)

Wang, Lei; Liu, Jing

2014-12-08

A new method to directly print out a solidified electronic circuit through low-melting-point metal ink is proposed. A functional pen with heating capability was fabricated. Several typical thermal properties of the alloy ink Bi 35 In 48.6 Sn 16 Zn 0.4 were measured and evaluated. Owing to the specifically selected melting point of the ink, which is slightly higher than room temperature, various electronic devices, graphics or circuits can be manufactured in a short period of time and then rapidly solidified by cooling in the surrounding air. The liquid-solid phase change mechanism of the written lines was experimentally characterized using a scanning electron microscope. In order to determine the matching substrate, wettability between the metal ink Bi 35 In 48.6 Sn 16 Zn 0.4 and several materials, including mica plate and silicone rubber, was investigated. The resistance-temperature curve of a printed resistor indicated its potential as a temperature control switch. Furthermore, the measured reflection coefficient of a printed double-diamond antenna accords well with the simulated result. With unique merits such as no pollution, no requirement for encapsulation and easy recycling, the present printing approach is an important supplement to current printed electronics and has enormous practical value in the future.

Thermal and dynamic mechanical characterization of thermoplastic polyurethane/organoclay nanocomposites prepared by melt compounding

International Nuclear Information System (INIS)

Barick, A.K.; Tripathy, D.K.

2010-01-01

Thermoplastic polyurethane (TPU) nanocomposites based on organically modified layered silicate (OMLS) were prepared by melt intercalation process followed by compression molding. Different percentage of organoclays was incorporated into the TPU matrix in order to examine the influence of the nanoscaled fillers on nanostructure morphology and material properties. The microscopic morphology of the nanocomposites was evaluated by wide angle X-ray diffraction (WAXD), transmission electron microscopy (TEM), and atomic force microscopy (AFM). The observation revealed that both nanoclay-polymer interactions and shear stress developed during melt mixing are responsible for the effectively organoclay dispersion in TPU matrix resulting intercalated/exfoliated morphology. Thermal stability of the nanocomposites measured by thermogravimetric analysis (TGA) was improved significantly with the addition of nanoclay. The differential scanning calorimetry (DSC) analysis reveals that melting point of the nanocomposites increased with incorporation of nanoclay. The dynamic mechanical properties of the TPU nanocomposites were analyzed using a dynamic mechanical thermal analyzer (DMTA), which indicates that the storage modulus (E'), loss modulus (E''), and glass transition temperature (T g ) are significantly increased with increasing nanoclay content.

Binding Energy, Vapor Pressure and Melting Point of Semiconductor Nanoparticles

International Nuclear Information System (INIS)

H. H. Farrell; C. D. Van Siclen

2007-01-01

Current models for the cohesive energy of nanoparticles generally predict a linear dependence on the inverse particle diameter for spherical clusters, or, equivalently, on the inverse of the cube root of the number of atoms in the cluster. Although this is generally true for metals, we find that for the group IV semiconductors, C, Si and Ge, this linear dependence does not hold. Instead, using first principles, density functional theory calculations to calculate the binding energy of these materials, we find a quadratic dependence on the inverse of the particle size. Similar results have also been obtained for the metallic group IV elements Sn and Pb. This is in direct contradiction to current assumptions. Further, as a consequence of this quadratic behavior, the vapor pressure of semiconductor nanoparticles rises more slowly with decreasing size than would be expected. In addition, the melting point of these nanoparticles will experience less suppression than experienced by metal nanoparticles with comparable bulk binding energies. This non-linearity also affects sintering or Ostwald ripening behavior of these nanoparticles as well as other physical properties that depend on the nanoparticle binding energy. The reason for this variation in size dependence involves the covalent nature of the bonding in semiconductors, and even in the 'poor' metals. Therefore, it is expected that this result will hold for compound semiconductors as well as the elemental semiconductors

Magnetic properties and densification of Manganese-Zinc soft ferrites (Mn1-xZnxFe2O4) doped with low melting point oxides

International Nuclear Information System (INIS)

Shokrollahi, H.

2008-01-01

Mn-Zn ferrites have high electrical resistivity, low power loss and high initial permeability up to several MHz range. Oxide additives can greatly affect the magnetic properties of these ferrites. The effects of the additives on the sintering behaviour and magnetic properties of Mn-Zn ferrites are different. Some low melting point additives such as Bi 2 O 3 enhance the sintering by forming a liquid phase in the ferrites. The additive V 2 O 5 enhances the sintering by increasing bulk diffusion due to the increased vacancy concentration which is accompanied by the solubility of V 5+ in the ferrites. Some additives are cations that are soluble in the host lattice and enter regular positions on the tetrahedral or octahedral sites. This paper investigates the effect of several low melting point oxides on the magnetic properties, microstructure and densification of Mn-Zn soft ferrites

Black holes as critical point of quantum phase transition.

Science.gov (United States)

Dvali, Gia; Gomez, Cesar

We reformulate the quantum black hole portrait in the language of modern condensed matter physics. We show that black holes can be understood as a graviton Bose-Einstein condensate at the critical point of a quantum phase transition, identical to what has been observed in systems of cold atoms. The Bogoliubov modes that become degenerate and nearly gapless at this point are the holographic quantum degrees of freedom responsible for the black hole entropy and the information storage. They have no (semi)classical counterparts and become inaccessible in this limit. These findings indicate a deep connection between the seemingly remote systems and suggest a new quantum foundation of holography. They also open an intriguing possibility of simulating black hole information processing in table-top labs.

Collective modes in simple melts: Transition from soft spheres to the hard sphere limit.

Science.gov (United States)

Khrapak, Sergey; Klumov, Boris; Couëdel, Lénaïc

2017-08-11

We study collective modes in a classical system of particles with repulsive inverse-power-law (IPL) interactions in the fluid phase, near the fluid-solid coexistence (IPL melts). The IPL exponent is varied from n = 10 to n = 100 to mimic the transition from moderately soft to hard-sphere-like interactions. We compare the longitudinal dispersion relations obtained using molecular dynamic (MD) simulations with those calculated using the quasi-crystalline approximation (QCA) and find that this simple theoretical approach becomes grossly inaccurate for [Formula: see text]. Similarly, conventional expressions for high-frequency (instantaneous) elastic moduli, predicting their divergence as n increases, are meaningless in this regime. Relations of the longitudinal and transverse elastic velocities of the QCA model to the adiabatic sound velocity, measured in MD simulations, are discussed for the regime where QCA is applicable. Two potentially useful freezing indicators for classical particle systems with steep repulsive interactions are discussed.

Molecular dynamics simulations of the melting curve of NiAl alloy under pressure

International Nuclear Information System (INIS)

Zhang, Wenjin; Peng, Yufeng; Liu, Zhongli

2014-01-01

The melting curve of B2-NiAl alloy under pressure has been investigated using molecular dynamics technique and the embedded atom method (EAM) potential. The melting temperatures were determined with two approaches, the one-phase and the two-phase methods. The first one simulates a homogeneous melting, while the second one involves a heterogeneous melting of materials. Both approaches reduce the superheating effectively and their results are close to each other at the applied pressures. By fitting the well-known Simon equation to our melting data, we yielded the melting curves for NiAl: 1783(1 + P/9.801) 0.298 (one-phase approach), 1850(1 + P/12.806) 0.357 (two-phase approach). The good agreement of the resulting equation of states and the zero-pressure melting point (calc., 1850 ± 25 K, exp., 1911 K) with experiment proved the correctness of these results. These melting data complemented the absence of experimental high-pressure melting of NiAl. To check the transferability of this EAM potential, we have also predicted the melting curves of pure nickel and pure aluminum. Results show the calculated melting point of Nickel agrees well with experiment at zero pressure, while the melting point of aluminum is slightly higher than experiment

Poly(1,4-cyclohexanedimethylene 2,6-naphthalate polyester with high melting point: Effect of different synthesis methods on molecular weight and properties

Directory of Open Access Journals (Sweden)

N. Kasmi

2018-03-01

Full Text Available In the current manuscript, a new approach for the synthesis of poly(1,4- cyclohexanedimethylene 2,6-naphthalate (PCHDMN derived from dimethyl 2,6-naphthalenedicarboxylate (2,6-DMN and 1,4-Cyclohexanedimethanol (CHDM via melt polycondensation method is introduced. The effect of three different synthesis pathways, polycondensation time and temperature on polyesters molecular weight increase has been investigated. All of the prepared samples were characterized measuring their intrinsic viscosity (IV, thermal properties and morphology with differential scanning calorimetry (DSC and wide-angle X-ray diffraction (WAXD, respectively. The results demonstrated the effectiveness of the synthesis pathway proposed for the preparation of PCHDMN, resulting in high molecular weight (IV value around 0.5 dL/g and much shorter reaction time. Melt polycondensation temperatures above melting point of polyester should be avoided to be used due to the decomposition of polyester. This was proved by thermogravimetric analysis (TGA and Pyrolysis-gas chromatography–mass spectroscopy analysis (Py-GC/MS.

Experimental evidence of structural transition at the crystal-amorphous interphase boundary between Al and Al2O3

International Nuclear Information System (INIS)

Yang, Z.Q.; He, L.L.; Zhao, S.J.; Ye, H.Q.

2002-01-01

High-resolution transmission electron microscopy observations on the structure of the interphase boundary between crystalline Al and amorphous Al 2 O 3 coating reveal that an interfacial melting transition of Al occurs at 833 K, which is distinctly lower than the bulk melting point of Al. The crystalline lattice planes of Al near the interface bend or small segments of crystalline Al deviated from the matrix Al grains are formed. Stand-off dislocations formed at the interphase boundary are also observed. The amorphous Al 2 O 3 coating plays an important role in retaining the evidence for structural transition at high temperature to room temperature, which makes it possible to make experimental observations. (author)

The melting curve of tetrahydrofuran hydrate in D2O

International Nuclear Information System (INIS)

Hanley, H.J.M.; Meyers, G.J.; White, J.W.; Sloan, E.D.

1989-01-01

Melting points for the tetrahydrofuran/D 2 O hydrate in equilibrium with the air-saturated liquid at atmospheric pressure are reported. The melting points were measured by monitoring the absorbance of the solution. Overall, the melting-point phase boundary curve is about 2.5 K greater than the corresponding curve for the H 2 O hydrate, with a congruent melting temperature of 281 ± 0.5 K at a D 2 O mole fraction of 0.936. The phase boundary is predicted to within 5% if the assumption is made that the THF occupancy in the D 2 O and H 2 O hydrates is the same. The authors measure an occupancy of 99.9%. The chemical potential of the empty lattice in D 2 O is estimated to be 5% greater than in H 2 O

Non-local viscosity of polymer melts approaching their glassy state

DEFF Research Database (Denmark)

Puscasu, Ruslan; Todd, Billy; Daivis, Peter

2010-01-01

The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed...

Study of viscosity of aluminum melt during glass transition by molecular dynamics and Green–Kubo formula

International Nuclear Information System (INIS)

Kirova, E M; Pisarev, V V

2016-01-01

Molecular dynamics study of shear viscosity behavior of liquid aluminum is performed. The embedded atom method potential is used at the simulation of isobaric cooling. The viscosity is calculated using the Green–Kubo formula. The stress autocorrelation functions are obtained in the range 300-1200 K. The calculated kinematic viscosity is in agreement with the experimental data for the temperatures above melting temperature. The steep change of the shear viscosity is found below 650 K which we associate with the glass transition and is in a good agreement with the temperature which is obtained using the calorimetric criterion Kolotova et al (2015 J. Non-Cryst. Solids 429 98). The viscosity coefficient can not be calculated using the direct atomistic simulations below that temperature. (paper)

A FeNiMnC alloy with strain glass transition

Directory of Open Access Journals (Sweden)

Hui Ma

2018-02-01

Full Text Available Recent experimental and theoretical investigations suggested that doping sufficient point defects into a normal ferroelastic/martensitic alloy systems could lead to a frozen disordered state of local lattice strains (nanomartensite domains, thereby suppressing the long-range strain-ordering martensitic transition. In this study, we attempt to explore the possibility of developing novel ferrous Elinvar alloys by replacing nickel with carbon and manganese as dopant species. A nominal Fe89Ni5Mn4.6C1.4 alloy was prepared by argon arc melting, and XRD, DSC, DMA and TEM techniques were employed to characterize the strain glass transition signatures, such as invariance in average structure, frequency dispersion in dynamic mechanical properties (storage modulus and internal friction and the formation of nanosized strain domains. It is indicated that doping of Ni, Mn and C suppresses γ→α long-range strain-ordering martensitic transformation in Fe89Ni5Mn4.6C1.4 alloy, generating randomly distributed nanosized domains by strain glass transition. Keywords: Strain glass transition, Elinvar alloys, Point defects, Nanosized domains

Vertical melting of a stack of membranes

Science.gov (United States)

Borelli, M. E. S.; Kleinert, H.; Schakel, A. M. J.

2001-02-01

A stack of tensionless membranes with nonlinear curvature energy and vertical harmonic interaction is studied. At low temperatures, the system forms a lamellar phase. At a critical temperature, the stack disorders vertically in a melting-like transition.

Transition at the deliquesce point in single salts

DEFF Research Database (Denmark)

Rörig-Dalgaard, Inge

2014-01-01

Background: Deliquesce points for single salts are in general considered to occur at a specific relative humidity and are also shown as such in phase diagrams. For this reason, salts are used for calibration purpose. According to Gibbs phase rule, the crystalline solid and the saturated solution...... the increasing numbers of thin film water till 20 mbar at 25˚C whereas the deliquescence point is at 24 mbar. These results suggest a stepwise change in the state of the salt. During preparation to salt calibration tests (in a Dynamic Vapour Sorption equipment (DVS)) the author noticed that some single salts...... have a very sudden and accurate change in salt state whereas another salt changed inaccurate as was noticed with NaCl (seen in more than 10 salt preparations). In the present work, the inaccurate transition between the solid NaCl to NaCl in solution was investigated with a cooling stage (CS) in an ESEM...

Melts of garnet lherzolite: experiments, models and comparison to melts of pyroxenite and carbonated lherzolite

Science.gov (United States)

Grove, Timothy L.; Holbig, Eva S.; Barr, Jay A.; Till, Christy B.; Krawczynski, Michael J.

2013-01-01

Phase equilibrium experiments on a compositionally modified olivine leucitite from the Tibetan plateau have been carried out from 2.2 to 2.8 GPa and 1,380–1,480 °C. The experiments-produced liquids multiply saturated with spinel and garnet lherzolite phase assemblages (olivine, orthopyroxene, clinopyroxene and spinel ± garnet) under nominally anhydrous conditions. These SiO2-undersaturated liquids and published experimental data are utilized to develop a predictive model for garnet lherzolite melting of compositionally variable mantle under anhydrous conditions over the pressure range of 1.9–6 GPa. The model estimates the major element compositions of garnet-saturated melts for a range of mantle lherzolite compositions and predicts the conditions of the spinel to garnet lherzolite phase transition for natural peridotite compositions at above-solidus temperatures and pressures. We compare our predicted garnet lherzolite melts to those of pyroxenite and carbonated lherzolite and develop criteria for distinguishing among melts of these different source types. We also use the model in conjunction with a published predictive model for plagioclase and spinel lherzolite to characterize the differences in major element composition for melts in the plagioclase, spinel and garnet facies and develop tests to distinguish between melts of these three lherzolite facies based on major elements. The model is applied to understand the source materials and conditions of melting for high-K lavas erupted in the Tibetan plateau, basanite–nephelinite lavas erupted early in the evolution of Kilauea volcano, Hawaii, as well as younger tholeiitic to alkali lavas from Kilauea.

Confinement in Melts of Chains with Junction Points, but No Ends

Science.gov (United States)

Foster, Mark; He, Qiming; Zhou, Yang; Zhang, Fan; Huang, Chongwen; Narayanan, Suresh

Measurements of surface fluctuations of 4-arm star and ''8-shaped'' analogs of the same polystyrene (PS) chain show that elimination of chain ends is much more important in dictating the fragility in a thin film than is the introduction of a branch point in the molecule. Both the viscosities derived from surface fluctuations and rheological measurements for the 8-shaped PS manifest a lower value than the 4-arm star PS analog, with the discrepancy increasing as the temperature approaches the glass transition temperature, Tg , bulk. Comparison among different chain topologies shows the effect of the number of chain ends and junction point on the viscosity. The viscosity behavior of the 8-shaped PS is quite different from that of the star analog, but similar to that of the simple cycle analog. The fragility of the 8-shaped molecule in the thin film is reduced relative to that in the bulk, manifesting a nanoconfinement effect. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

Arctic melt ponds and bifurcations in the climate system

Science.gov (United States)

Sudakov, I.; Vakulenko, S. A.; Golden, K. M.

2015-05-01

Understanding how sea ice melts is critical to climate projections. In the Arctic, melt ponds that develop on the surface of sea ice floes during the late spring and summer largely determine their albedo - a key parameter in climate modeling. Here we explore the possibility of a conceptual sea ice climate model passing through a bifurcation point - an irreversible critical threshold as the system warms, by incorporating geometric information about melt pond evolution. This study is based on a bifurcation analysis of the energy balance climate model with ice-albedo feedback as the key mechanism driving the system to bifurcation points.

Thermodynamic and structural study of two-dimensional melting within monolayers or rare gases or methane physically adsorbed upon the surface of layer-like solids

International Nuclear Information System (INIS)

Tessier, Christine

1983-01-01

The 2D (two-dimensional) melting of monolayers of rare gases or methane physically adsorbed on the basal face of lamellar solids (graphite, boron nitride and lamellar halides) has been studied. Two different experimental measurements have been made: i) adsorption isotherms; ii) neutron diffraction spectra. The main part of this report deals with the 2D liquid-incommensurate solid transition within monolayers of rare gases or methane adsorbed on the basal face of lamellar halides. This transition is first order. It is observed only if certain conditions of dimensional incompatibility between the substrate and the absorbate are fulfilled. It is little affected by the structure of the underlying substrate. A number of thermodynamic parameters associated with it, are constants once properly scaled. These constants agree well with theoretical estimates for 6-12 Lennard Jones particles adsorbed on a smooth surface. For the monolayer of Xe adsorbed on graphite the temperature of the tricritical point above which melting becomes a continuous transition has been measured. The isotope effect associated with 2D melting has been investigated by comparing the behaviour of monolayers of CH 4 and CD 4 adsorbed on boron nitride. The vapor pressure of Xe has been determined in the temperature range 101-120 K. (author) [fr

Stochastic dynamics of melt ponds and sea ice-albedo climate feedback

Science.gov (United States)

Sudakov, Ivan

Evolution of melt ponds on the Arctic sea surface is a complicated stochastic process. We suggest a low-order model with ice-albedo feedback which describes stochastic dynamics of melt ponds geometrical characteristics. The model is a stochastic dynamical system model of energy balance in the climate system. We describe the equilibria in this model. We conclude the transition in fractal dimension of melt ponds affects the shape of the sea ice albedo curve.

Structure of dense shock-melted alkali halides: Evidence for a continuous pressure-induced structural transition in the melt

International Nuclear Information System (INIS)

Ross, M.; Rogers, F.J.

1985-01-01

Hypernetted-chain equation calculations have been made for the ion-ion pair distribution functions in shock-melted CsI, CsBr, KBr, KCl, NaCl, and LiF. The results show that the melt undergoes a gradual pressure-induced structural change from an open NaCl-like structure with six nearest neighbors of opposite charge to one that has a rare-gas close-packed-like arrangement containing about 12 neighbors of mixed charge. These effects are most pronounced for the larger ions in which the short-range repulsions are stronger relative to long-range Coulomb attractions

Character of changes in the thermodynamic properties of alloyed melts of rare-earth metals with low-melting-point p- and d-metals

International Nuclear Information System (INIS)

Yamshchikov, L.F.; Zyapaev, A.A.; Raspopin, S.P.

2003-01-01

Published data on thermodynamic characteristics of lanthanides in liquid-metal melts of gallium, indium and zinc were systematized. The monotonous change from lanthanum to lutetium was ascertained for activity values and activity coefficients of trivalent lanthanides in the melts, which permits calculating the values for the systems of fusible metals, where no experimental data are available [ru

Method of melt-decontaminating alumium contaminated with radioactivity

International Nuclear Information System (INIS)

Uda, Tatsuhiko; Iba, Hajime; Miura, Noboru; Kawasaki, Katsuo.

1986-01-01

Purpose: To enable optimum deontamination for radioactive-contaminated aluminum by further improving the decontaminating effect of the slag agent added to radioactive contaminated materials. Method: The slag agent is mainly composed of chloride type slags having a high reactivity for mainly incorporating uranium compounds and easily reacting near the melting point of aluminum and incorporated with fluorides for weakening the deliquescent characteristic to the chloride materials. Further, those slag agents are selected which can be treated at a low temperature in order to prevent the uranium compounds once incorporated into the slags from re-melting into the molten aluminum. Typically, a slag agent comprising 14 LiF, 76 KCl - 10 BaCl 2 is preferred. The basicity of the slag agent ranges from 0.5 to 2 and the melting point is 700 deg C. The melting decontaminating efficiency for the radioactive-contaminated aluminum can thus be improved. (Horiuchi, T.)

Equation for the melting curve of solids under high pressure

International Nuclear Information System (INIS)

Boguslavskii, Yu.Ya.

1982-01-01

Simon's equation of the melting curve is obtained using the Clausius-Clapeyron equation in the linear approximation of the pressure dependence of the melting entropy and the volume change at the melting point. The constants in Simon's equation are calculated in this approximation for the alkali metals Li, Na, K, Rb, Cs and also for hydrogen, H 2 , and argon. It is shown that one can obtain the constants of Simon's equation in a pressure range which is wider than the region of the thermodynamical validity of Simon's equation by averaging the values of the constants determined in different points of the melting curves. The constants obtained by this manner agree well with the experimental data. (author)

Theoretical study of a melting curve for tin

International Nuclear Information System (INIS)

Feng, Xi; Ling-Cang, Cai

2009-01-01

The melting curve of Sn has been calculated using the dislocation-mediated melting model with the 'zone-linking method'. The results are in good agreement with the experimental data. According to our calculation, the melting temperature of γ-Sn at zero pressure is about 436 K obtained by the extrapolation of the method from the triple point of Sn. The results show that this calculation method is better than other theoretical methods for predicting the melting curve of polymorphic material Sn. (condensed matter: structure, thermal and mechanical properties)

Our Educational Melting Pot: Have We Reached the Boiling Point?

Science.gov (United States)

Lauderdale, Katherine Lynn, Ed.; Bonilla, Carlos A., Ed.

The articles and excerpts in this collection illustrate the complexity of the melting pot concept. Multiculturalism has become a watchword in American life and education, but it may be that in trying to atone for past transgressions educators and others are simply going too far. These essays illustrate some of the problems of a multicultural…

Image analysis as an improved melting criterion in laser-heated diamond anvil cell

OpenAIRE

Salem, Ran; Matityahu, Shlomi; Melchior, Aviva; Nikolaevsky, Mark; Noked, Ori; Sterer, Eran

2015-01-01

The precision of melting curve measurements using laser-heated diamond anvil cell (LHDAC) is largely limited by the correct and reliable determination of the onset of melting. We present a novel image analysis of speckle interference patterns in the LHDAC as a way to define quantitative measures which enable an objective determination of the melting transition. Combined with our low-temperature customized IR pyrometer, designed for measurements down to 500K, our setup allows studying the melt...

Saturated fatty acids and fatty acid esters promote the polymorphic transition of clarithromycin metastable form I crystal.

Science.gov (United States)

Watanabe, Miteki; Mizoguchi, Midori; Aoki, Hajime; Iwao, Yasunori; Noguchi, Shuji; Itai, Shigeru

2016-10-15

The phase transition of active pharmaceutical ingredients should be taken into account during manufacturing, processing- and storage, because different crystal forms lead to different physical properties of formulations. The phase transition of clarithromycin (CAM) metastable form I to stable form II was investigated on heating with additives such as fatty acids or fatty acid esters. Differential scanning calorimetry analyses revealed that when form I was heated with additives, the phase transition temperature of form I decreased close to the melting points of the additives. Powder X-ray diffraction analyses indicated the tentative presence of a non-crystalline component during the transition of form I to form II on heating with additives. These observations implied that CAM form I dissolved in the melted additives on heating and the dissolved CAM crystallized to form II. Reduction of transition temperatures in the presence of additives were also observed for the crystals of nifedipine form B and carbamazepine form III. These results suggested that the phenomena can be widely applicable for simultaneous crystalline phase transition and granulation using binder additives. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of low-melting point phases on the microstructure and properties of spark plasma sintered and hot deformed Nd-Fe-B alloys

Science.gov (United States)

Zhang, Li; Wang, Meiyu; Yan, Xueliang; Lin, Ye; Shield, Jeffrey

2018-04-01

The effect of adding a low melting point Pr-Cu-Al alloy during spark plasma sintering of melt-spun Nd-Fe-B ribbons is investigated. Regions of coarse grains were reduced and overall grain refinement was observed after the addition of Pr68Cu25Al7, leading to an enhancement of coercivity from 12.7 kOe to 20.4 kOe. Hot deformation of the samples in the spark plasma sintering system resulted in the formation of platelet-like grains, producing crystallographic alignment and magnetic anisotropy. The hot deformation process improved the remanence and energy product but reduced the coercivity. The decrease of coercivity resulted from grain growth and aggregation of Pr and Nd elements at triple-junction phases.

Rounding by disorder of first-order quantum phase transitions: emergence of quantum critical points.

Science.gov (United States)

Goswami, Pallab; Schwab, David; Chakravarty, Sudip

2008-01-11

We give a heuristic argument for disorder rounding of a first-order quantum phase transition into a continuous phase transition. From both weak and strong disorder analysis of the N-color quantum Ashkin-Teller model in one spatial dimension, we find that, for N > or =3, the first-order transition is rounded to a continuous transition and the physical picture is the same as the random transverse field Ising model for a limited parameter regime. The results are strikingly different from the corresponding classical problem in two dimensions where the fate of the renormalization group flows is a fixed point corresponding to N-decoupled pure Ising models.

Numerical simulations of the melting behavior of bulk and nanometer-sized Cu systems

International Nuclear Information System (INIS)

Manai, G.; Delogu, F.

2007-01-01

Molecular dynamics simulations have been employed to investigate the melting mechanisms of four different Cu systems consisting of a surface-free crystalline bulk, a semi-crystal terminating with a free surface and two unsupported particles with a radius of about 4 and 8 nm, respectively. Starting from a relaxed configuration at 300 K, the systems were gradually heated up to the characteristic melting points. The surface-free bulk system underwent homogeneous melting at the limit of superheating, whereas the melting of the semi-crystal and of the nanometer-sized particles occurred with heterogeneous features. In these latter cases, the structural and energetic properties revealed a two-state character with a definite difference between disordered surface layers and bulk-like interiors. In addition, the melting point and the latent heat of fusion of the nanometer-sized particles were significantly depressed with respect to the ones of the semi-crystal, approximately corresponding to the equilibrium values. Pre-melting phenomena took place at the free surfaces at temperatures significantly below the melting point, determining the formation of a solid-liquid interface. Numerical findings indicate that in all the cases the onset of melting is connected with the proliferation and migration of lattice defects and that an intimate relationship exists between homogeneous and heterogeneous melting mechanisms

Lattice Boltzmann model for melting with natural convection

International Nuclear Information System (INIS)

Huber, Christian; Parmigiani, Andrea; Chopard, Bastien; Manga, Michael; Bachmann, Olivier

2008-01-01

We develop a lattice Boltzmann method to couple thermal convection and pure-substance melting. The transition from conduction-dominated heat transfer to fully-developed convection is analyzed and scaling laws and previous numerical results are reproduced by our numerical method. We also investigate the limit in which thermal inertia (high Stefan number) cannot be neglected. We use our results to extend the scaling relations obtained at low Stefan number and establish the correlation between the melting front propagation and the Stefan number for fully-developed convection. We conclude by showing that the model presented here is particularly well-suited to study convection melting in geometrically complex media with many applications in geosciences

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals.

Science.gov (United States)

Bhhatarai, Barun; Teetz, Wolfram; Liu, Tao; Öberg, Tomas; Jeliazkova, Nina; Kochev, Nikolay; Pukalov, Ognyan; Tetko, Igor V; Kovarich, Simona; Papa, Ester; Gramatica, Paola

2011-03-14

Quantitative structure property relationship (QSPR) studies on per- and polyfluorinated chemicals (PFCs) on melting point (MP) and boiling point (BP) are presented. The training and prediction chemicals used for developing and validating the models were selected from Syracuse PhysProp database and literatures. The available experimental data sets were split in two different ways: a) random selection on response value, and b) structural similarity verified by self-organizing-map (SOM), in order to propose reliable predictive models, developed only on the training sets and externally verified on the prediction sets. Individual linear and non-linear approaches based models developed by different CADASTER partners on 0D-2D Dragon descriptors, E-state descriptors and fragment based descriptors as well as consensus model and their predictions are presented. In addition, the predictive performance of the developed models was verified on a blind external validation set (EV-set) prepared using PERFORCE database on 15 MP and 25 BP data respectively. This database contains only long chain perfluoro-alkylated chemicals, particularly monitored by regulatory agencies like US-EPA and EU-REACH. QSPR models with internal and external validation on two different external prediction/validation sets and study of applicability-domain highlighting the robustness and high accuracy of the models are discussed. Finally, MPs for additional 303 PFCs and BPs for 271 PFCs were predicted for which experimental measurements are unknown. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vortex melting and the liquid state in YBa2Cu3Ox

International Nuclear Information System (INIS)

Crabtree, G. W.

1998-01-01

The experimental vortex phase diagram of YBa 2 Cu 3 O x is reviewed, with emphasis on first order vortex melting, the upper and lower critical points on the melting line, and the effect of disorder arising from twin boundary and point defect pinning

Vacancies and a generalised melting curve of metals

International Nuclear Information System (INIS)

Gorecki, T.

1979-01-01

The vacancy mechanism of the melting process is used as a starting point for deriving an expression for the pressure dependence of the melting temperature of metals. The results obtained for the initial slope of the melting curve are compared with experimental data for 45 metals and in most cases the agreement is very good. The nonlinearity of the melting curve and the appearance of a maximum on the melting curve at a pressure approximately equal to the bulk modules is also predicted, with qualitative agreement with experimental data. A relation between bonding energy, atomic volume, and bulk modulus of metals is established. On the basis of this relation and the proposed vacancy mechanism, a generalised equation for the pressure dependence of the melting temperature of metals is derived. (author)

Fuel Rod Melt Progression Simulation Using Low-Temperature Melting Metal Alloy

International Nuclear Information System (INIS)

Seung Dong Lee; Suh, Kune Y.; GoonCherl Park; Un Chul Lee

2002-01-01

downwards a blockage may be formed and grow both radially and axially. The velocity of the melt can be calculated from a force balance between the gravity and frictional losses at the melt-rod interface. When the heater rod is uncovered completely, the melt progression is initiated at the mid-point, which is the hot spot in the rod. However, the melting location is elevated as the water level rises because of the downward heat transfer. Considering the melt flow as a film, the steady-state film thickness on the cylindrical heater rod and the average velocity are computed. The steady-state film flow rate is determined in terms of the density, film thickness, and film velocity. (authors)

Specific heat measurements on metals up to their melting point; Mesure de la chaleur specifique des metaux jusqu'a leur temperature de fusion

Energy Technology Data Exchange (ETDEWEB)

Affortit, Ch [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1967-07-15

We have built an apparatus to measure the specific heat of metal up to the melting point. The method is the pulse-heating method, where the specimen is heated very rapidly (1/10 s) from room temperature to the melting point by a very intense d.c. current (1000 A). The simultaneous measurements of intensity, voltage and temperature in the specimen allows a calculation of the specific heat. We have obtained good results for niobium, tungsten, tantalum and uranium. The accuracy is around 3 to 5 per cent and allows a measurement of the heat of formation of vacancies near the melting temperature. (author) [French] Nous avons construit un appareil permettant la mesure de la chaleur specifique des metaux jusqu'a leur temperature de fusion. La methode utilisee est la methode dite de chauffage instantane, L'echantillon est echauffe tres rapidement (1/10 s) de la temperature ambiante a la temperature de fusion par le passage d'un courant tres intense ({approx} 1000 A). L'enregistrement simultane de l'intensite du courant, de la difference de potentiel aux bornes de l'echantillon et de la temperature, permet de calculer la chaleur specifique. Nous avons obtenu de bons resultats pour le niobium, le tungstene tantale et l'uranium. La precision de la methode est de l'ordre de 3 a 5 pour cent et permet une mesure de la chaleur de formation des lacunes au voisinage de la fusion. (auteur)

Size-dependent melting of nanoparticles: Hundred years of ...

Indian Academy of Sciences (India)

point depression of nanoparticles and the variation is linear with the inverse of the particle size. An attempt to ... Different expressions can be derived by assuming different melting hypothesis that explains different variations. ... process, the entire solid is in equilibrium with entire melted particles [1,15] which corresponds to ...

Evidence of two-stage melting of Wigner solids

Science.gov (United States)

Knighton, Talbot; Wu, Zhe; Huang, Jian; Serafin, Alessandro; Xia, J. S.; Pfeiffer, L. N.; West, K. W.

2018-02-01

Ultralow carrier concentrations of two-dimensional holes down to p =1 ×109cm-2 are realized. Remarkable insulating states are found below a critical density of pc=4 ×109cm-2 or rs≈40 . Sensitive dc V-I measurement as a function of temperature and electric field reveals a two-stage phase transition supporting the melting of a Wigner solid as a two-stage first-order transition.

Melting heat transfer in stagnation point flow of carbon nanotubes towards variable thickness surface

Directory of Open Access Journals (Sweden)

T. Hayat

2016-01-01

Full Text Available This work concentrates on the mathematical modeling for stagnation point flow of nanofluids over an impermeable stretching sheet with variable thickness. Carbon nanotubes [single-wall carbon nanotubes (SWCNTs and multi-wall carbon nanotubes (MWCNTs] as the nanoparticles are utilized. Water and kerosene oil are taken as the base fluids. Heat transfer through melting effect is discussed. Transformation procedure is adapted to obtain the non-linear ordinary differential equations from the fundamental laws of mass, linear momentum and energy. The optimal values of convergence control parameters and corresponding individual and total residual errors for SWCNTs and MWCNTs are computed by means of homotopy analysis method (HAM based BVPh 2.0. Characteristics of different involved parameters on the velocity, temperature, skin friction coefficient and Nusselt number are discussed. Higher velocity profile is observed for wall thickness parameter in case of water carbon nanotubes when compared with the kerosene oil carbon nanotubes.

Raman spectroscopy study of the crystal - melt phase transition of lanthanum, cerium and neodymium trichlorides; Issledovanie fazovogo perekhoda kristall-rasplav trikhloridov lantana, tseriya i neodima metodom spektroskopii KRS

Energy Technology Data Exchange (ETDEWEB)

Zakir' yanova, I D; Salyulev, A B [UrO RAN, Inst. Vysokotemperaturnoj Ehlektrokhimii, Ekaterinburg (Russian Federation)

2007-09-15

Systematic structural studies of crystalline (over a wide temperature range) and molten LaCl{sub 3}, CeCl{sub 3}, and NdCl{sub 3} salts (near the crystal-melt phase transition temperature) are conducted employing Raman spectroscopy. A change in the trend of temperature dependences of characteristic frequencies is revealed in the pre-melting region of the compounds. This is attributed to an increase in the number of crystal defects due to weakening of a part of Ln-Cl bonds and decreasing of coordination number of chloride anions in the vicinity of rare earth cation.

Polymineralic inclusions in mantle chromitites from the Oman ophiolite indicate a highly magnesian parental melt

Science.gov (United States)

Rollinson, Hugh; Mameri, Lucan; Barry, Tiffany

2018-06-01

Polymineralic inclusions interpreted as melt inclusions in chromite from the dunitic Moho Transition Zone in the Maqsad area of the Oman ophiolite have been analysed and compositions integrated using a rastering technique on the scanning electron microscope. The inclusions now comprise a range of inter-grown hydrous phases including pargasite, aspidolite, phlogopite and chlorite, indicating that the parental melts were hydrous. Average inclusion compositions for seven samples contain between 23.1 and 26.8 wt% MgO and 1.7-3.6 wt% FeO. Compositions were corrected to allow for the low FeO concentrations using coexisting olivine compositions. These suggest that the primary melt has between 20 and 22 wt% MgO and 7-9.7 wt% FeO and has an affinity with boninitic melts, although the melts have a higher Ti content than most boninites. Average rare earth element concentrations suggest that the melts were derived from a REE depleted mantle source although fluid-mobile trace elements indicate a more enriched source. Given the hydrous nature of the inclusions this enrichment could be fluid driven. An estimate of the melt temperature can be made from the results of homogenisation experiments on these inclusions and suggests 1300 °C, which implies for a harzburgite solidus, relatively shallow melting at depths of <50 km and is consistent with a boninitic origin. The current "basaltic" nature of the chromite host to highly magnesian melt inclusions suggests that the dunitic Moho Transition Zone operated as a reaction filter in which magnesian melts were transformed into basalts by the removal of high magnesian olivines, particularly in areas where the Moho Transition Zone is unusually thick. We propose therefore that podiform mantle chromitites, even those with an apparent MORB-like chemical signature, have crystallised from a highly magnesian parental melt. The data presented here strongly support the view that this took place in a subduction initiation setting.

Applications of disorder-induced melting concept to critical-solute-accumulation processes

International Nuclear Information System (INIS)

Lam, N.Q.; Okamoto, P.R.; Heuer, J.K.

2001-01-01

A generalized version of the Lindemann melting criterion has recently been used to develop a unified thermodynamic description of disorder-induced amorphization and heat-induced melting. This concept of amorphization as a melting process is based on the fact that the melting temperature of a defective crystal driven far from equilibrium will decrease relative to that of its defect-free equilibrium state. The broader view of melting provides a new perspective of damage-accumulation processes such as radiation damage, ion implantation, ion beam mixing, plastic deformation, and fracture. For example, within this conceptual framework, disorder-induced amorphization is simply polymorphous melting of a critically disordered crystal at temperatures below the glass transition temperature. In the present communication, we discuss the application of the concept to two specific cases: amorphous phase formation during ion implantation and solute segregation-induced intergranular fracture

Role of cell deformability in the two-dimensional melting of biological tissues

Science.gov (United States)

Li, Yan-Wei; Ciamarra, Massimo Pica

2018-04-01

The size and shape of a large variety of polymeric particles, including biological cells, star polymers, dendrimes, and microgels, depend on the applied stresses as the particles are extremely soft. In high-density suspensions these particles deform as stressed by their neighbors, which implies that the interparticle interaction becomes of many-body type. Investigating a two-dimensional model of cell tissue, where the single particle shear modulus is related to the cell adhesion strength, here we show that the particle deformability affects the melting scenario. On increasing the temperature, stiff particles undergo a first-order solid/liquid transition, while soft ones undergo a continuous solid/hexatic transition followed by a discontinuous hexatic/liquid transition. At zero temperature the melting transition driven by the decrease of the adhesion strength occurs through two continuous transitions as in the Kosterlitz, Thouless, Halperin, Nelson, and Young scenario. Thus, there is a range of adhesion strength values where the hexatic phase is stable at zero temperature, which suggests that the intermediate phase of the epithelial-to-mesenchymal transition could be hexatic type.

Probing Critical Point Energies of Transition Metal Dichalcogenides: Surprising Indirect Gap of Single Layer WSe 2

KAUST Repository

Zhang, Chendong; Chen, Yuxuan; Johnson, Amber; Li, Ming-yang; Li, Lain-Jong; Mende, Patrick C.; Feenstra, Randall M.; Shih, Chih Kang

2015-01-01

By using a comprehensive form of scanning tunneling spectroscopy, we have revealed detailed quasi-particle electronic structures in transition metal dichalcogenides, including the quasi-particle gaps, critical point energy locations, and their origins in the Brillouin zones. We show that single layer WSe surprisingly has an indirect quasi-particle gap with the conduction band minimum located at the Q-point (instead of K), albeit the two states are nearly degenerate. We have further observed rich quasi-particle electronic structures of transition metal dichalcogenides as a function of atomic structures and spin-orbit couplings. Such a local probe for detailed electronic structures in conduction and valence bands will be ideal to investigate how electronic structures of transition metal dichalcogenides are influenced by variations of local environment.

Probing Critical Point Energies of Transition Metal Dichalcogenides: Surprising Indirect Gap of Single Layer WSe 2

KAUST Repository

Zhang, Chendong

2015-09-21

By using a comprehensive form of scanning tunneling spectroscopy, we have revealed detailed quasi-particle electronic structures in transition metal dichalcogenides, including the quasi-particle gaps, critical point energy locations, and their origins in the Brillouin zones. We show that single layer WSe surprisingly has an indirect quasi-particle gap with the conduction band minimum located at the Q-point (instead of K), albeit the two states are nearly degenerate. We have further observed rich quasi-particle electronic structures of transition metal dichalcogenides as a function of atomic structures and spin-orbit couplings. Such a local probe for detailed electronic structures in conduction and valence bands will be ideal to investigate how electronic structures of transition metal dichalcogenides are influenced by variations of local environment.

Berni Alder and Phase Transitions in Two Dimensions

Science.gov (United States)

Kosterlitz, J. Michael

I do not know Berni Alder as a person, but I feel that I know him well through his seminal paper "Phase Transition in Elastic Disks𠇍 by B. J. Alder and T. E. Wainwright [1962], which was essential in motivating David Thouless and myself to think about phase transitions in two dimensional systems with a continuous symmetry. In the early 1970's, the conventional wisdom was that a crystalline solid could not exist in a two dimensional world because of the rigorous Mermin-Wagner theorem prohibiting true long range translational order at any non-zero temperature. This contradiction was settled by the theory of dislocation mediated melting to an intermediate hexatic phase followed by a second transition to the isotropic fluid at a higher temperature. This scenario, with its associated sophisticated theory, seemed to settle the controversy of two dimensional melting once and for all. However, in our elation at understanding the fundamental physics and the essential excitations of melting in 2D, we had all forgotten that the early work of Berni Alder also showed that this melting involved a weak first order transition while theory now predicted melting by two successive continuous transitions with no discontinuity in area at the critical pressure. This discrepancy could be hand waved away by arguing that Berni's system was far too small and his computers far too slow so that the areal discontinuity could be due to finite size effects or to failing to equilibrate the system. Experiments were not able to resolve the order of the transitions, but seemed to agree quantitatively with theory…

Applications of nonequilibrium melting concept to damage-accumulation processes

International Nuclear Information System (INIS)

Lam, N.Q.; Okamoto, P.R.

1998-01-01

The authors recent study of crystalline-to-amorphous transformation led to the successful development of a unified thermodynamic description of disorder-induced amorphization and heat-induced melting, based on a generalized version of the Lindemann melting criterion. The generalized criterion requires that the melting temperature of a defective crystal decreases with increasing static atomic disorder. Hence, any crystal can melt at temperatures below the melting point of its perfect crystalline state when driven far from equilibrium by introducing critical amounts of misfitting solute atoms and lattice imperfections, radiation damage, and/or tensile stresses. This conceptual approach to nonequilibrium melting provides new insight into long-standing materials problems such as brittle fracture, embrittlement, and environmentally-induced cracking, for example irradiation-assisted stress corrosion cracking

Vacancies in quantal Wigner crystals near melting

International Nuclear Information System (INIS)

Barraza, N.; Colletti, L.; Tosi, M.P.

1999-04-01

We estimate the formation energy of lattice vacancies in quantal Wigner crystals of charged particles near their melting point at zero temperature, in terms of the crystalline Lindemann parameter and of the static dielectric function of the fluid phase near freezing. For both 3D and 2D crystals of electrons our results suggest the presence of vacancies in the ground state at the melting density. (author)

Dynamics of upper mantle rocks decompression melting above hot spots under continental plates

Science.gov (United States)

Perepechko, Yury; Sorokin, Konstantin; Sharapov, Victor

2014-05-01

Numeric 2D simulation of the decompression melting above the hot spots (HS) was accomplished under the following conditions: initial temperature within crust mantle section was postulated; thickness of the metasomatized lithospheric mantle is determined by the mantle rheology and position of upper asthenosphere boundary; upper and lower boundaries were postulated to be not permeable and the condition for adhesion and the distribution of temperature (1400-2050°C); lateral boundaries imitated infinity of layer. Sizes and distribution of lateral points, their symmetry, and maximum temperature varied between the thermodynamic condition for existences of perovskite - majorite transition and its excess above transition temperature. Problem was solved numerically a cell-vertex finite volume method for thermo hydrodynamic problems. For increasing convergence of iterative process the method of lower relaxation with different value of relaxation parameter for each equation was used. The method of through calculation was used for the increase in the computing rate for the two-layered upper mantle - lithosphere system. Calculated region was selected as 700 x (2100-4900) km. The time step for the study of the asthenosphere dynamics composed 0.15-0.65 Ma. The following factors controlling the sizes and melting degree of the convective upper mantle, are shown: a) the initial temperature distribution along the section of upper mantleb) sizes and the symmetry of HS, c) temperature excess within the HS above the temperature on the upper and lower mantle border TB=1500-2000oC with 5-15% deviation but not exceed 2350oC. It is found, that appearance of decompression melting with HS presence initiate primitive mantle melting at TB > of 1600oC. Initial upper mantle heating influence on asthenolens dimensions with a constant HS size is controlled mainly by decompression melting degree. Thus, with lateral sizes of HS = 400 km the decompression melting appears at TB > 1600oC and HS

Study of melting of molecular crystals by a modified Pople-Karasz model

Science.gov (United States)

Yazıcı, Mustafa; Özgan, Şükrü; Keskin, Mustafa

2005-02-01

A new modified model that combines the modified models of Chandrasekhar et al. with those of Keskin and Özgan, which are based on the Pople-Karasz theory, is applied to study the thermodynamics of melting and solid-solid transitions of molecular crystals. The thermodynamic properties of the disordered system are evaluated relative to those of the perfectly ordered one using the lowest approximation of the cluster-variation method, which is identical to the mean-field approximation. A good agreement is found between the present modified theory and the available experimental data. For melting transitions the agreement is excellent and much better than with the calculations of the Pople-Karasz theory and its previous modified theories. Approximate agreement is obtained for the solid-solid transitions. However, for these transition the experimental agreement with the present modified theory is still better than previous modified theories except at zero and low pressures.

Determination of enthalpy–temperature–composition relations in incongruent-melting phase change materials

International Nuclear Information System (INIS)

Desgrosseilliers, Louis; Allred, Paul; Groulx, Dominic; White, Mary Anne

2013-01-01

This paper demonstrates that liquidus line (T-x) data can be obtained from calorimetric determinations of phase transition enthalpy profiles (H-T) for incongruent-melting phase change materials (PCMs) more efficiently than using traditional cooling curves. An accurate and reliable equilibrium mixture enthalpy model bridges the H-T and T-x gap to provide a full suite of high density H-T-x data to assist latent heat energy storage researchers to evaluate composition-dependent two-phase equilibrium processes. The proposed method is validated for T-history method H-T determinations of 1:1 diluted sodium acetate trihydrate in water, and can also be used with other laboratory calorimetric techniques used to determine the phase transition enthalpy profiles of incongruent-melting compounds. -- Highlights: • H-T data can also be used to obtain valuable liquidus region T-x data. • Applies to all incongruent-melting compounds with known thermodynamic properties. • Reduces the effort and cost of assessing full suite H-T-x data for PCMs. • Uses existing T-x or H-T data of incongruent-melting PCMs to determine the other

The melting of stable glasses is governed by nucleation-and-growth dynamics

International Nuclear Information System (INIS)

Jack, Robert L.; Berthier, Ludovic

2016-01-01

We discuss the microscopic mechanisms by which low-temperature amorphous states, such as ultrastable glasses, transform into equilibrium fluids, after a sudden temperature increase. Experiments suggest that this process is similar to the melting of crystals, thus differing from the behaviour found in ordinary glasses. We rationalize these observations using the physical idea that the transformation process takes place close to a “hidden” equilibrium first-order phase transition, which is observed in systems of coupled replicas. We illustrate our views using simulation results for a simple two-dimensional plaquette spin model, which is known to exhibit a range of glassy behaviour. Our results suggest that nucleation-and-growth dynamics, as found near ordinary first-order transitions, is also the correct theoretical framework to analyse the melting of ultrastable glasses. Our approach provides a unified understanding of multiple experimental observations, such as propagating melting fronts, large kinetic stability ratios, and “giant” dynamic length scales. We also provide a comprehensive discussion of available theoretical pictures proposed in the context of ultrastable glass melting.

Crystallization kinetics in Si-1 at%Sn during rapid solidification in undercooled melt

Science.gov (United States)

Kuribayashi, K.; Ozawa, S.; Nagayama, K.; Inatomi, Y.

2017-06-01

In order to elucidate the cause of the morphological transition of crystals growing in an undercooled melt of semiconducting materials, we carried out the containerless solidification of undoped Si and Si-1 at%Sn using a CO2 laser-equipped electromagnetic levitator (EML). The crystallization of these materials was successfully achieved under controlled undercooling. The relation between the shape of growing crystals and the degree of undercooling in Si-1 at%Sn was similar to that in undoped Si; that is, plate-like needle crystals were observed at low undercooling, whereas at medium and high undercooling the shape of growing crystals changed to massive dendrites. The grain-size of as-solidified samples of Si-1 at%Sn was remarkably small compared with that of undoped Si. The surface morphologies of samples solidified by dropping the melt onto a chill plate of mirror-polished silicon consisted of typical twin-related dendrites. On the other hand, samples that were dropped from the undercooled state consisted of twin-free dendrites. The nucleation rate of two-dimensional nuclei calculated on the basis of two mechanisms, which are the twin-plane re-entrant edge mechanism and the twin-free mechanism, suggested that the morphological transition to twin-free dendrites from twin-related dendrites occurs when the degree of undercooling becomes larger than the critical value. These results indicate that the cause of the morphological transition of Si growing in the undercooled melt is not the roughening transition of the crystal-melt interface but the transition of the nucleation kinetics to the twin-free mechanism from the twin-related mechanism.

Creating Stiff, Tough, and Functional Hydrogel Composites with Low-Melting-Point Alloys.

Science.gov (United States)

Takahashi, Riku; Sun, Tao Lin; Saruwatari, Yoshiyuki; Kurokawa, Takayuki; King, Daniel R; Gong, Jian Ping

2018-04-01

Reinforcing hydrogels with a rigid scaffold is a promising method to greatly expand the mechanical and physical properties of hydrogels. One of the challenges of creating hydrogel composites is the significant stress that occurs due to swelling mismatch between the water-swollen hydrogel matrix and the rigid skeleton in aqueous media. This stress can cause physical deformation (wrinkling, buckling, or fracture), preventing the fabrication of robust composites. Here, a simple yet versatile method is introduced to create "macroscale" hydrogel composites, by utilizing a rigid reinforcing phase that can relieve stress-induced deformation. A low-melting-point alloy that can transform from a load-bearing solid state to a free-deformable liquid state at relatively low temperature is used as a reinforcing skeleton, which enables the release of any swelling mismatch, regardless of the matrix swelling degree in liquid media. This design can generally provide hydrogels with hybridized functions, including excellent mechanical properties, shape memory, and thermal healing, which are often difficult or impossible to achieve with single-component hydrogel systems. Furthermore, this technique enables controlled electrochemical reactions and channel-structure templating in hydrogel matrices. This work may play an important role in the future design of soft robots, wearable electronics, and biocompatible functional materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Melt processing of Yb-123 tapes

International Nuclear Information System (INIS)

Athur, S. P.; Balachandran, U.; Salama, K.

2000-01-01

The innovation of a simple, scalable process for manufacturing long-length conductors of HTS is essential to potential commercial applications such as power cables, magnets, and transformers. In this paper the authors demonstrate that melt processing of Yb-123 tapes made by the PIT route is an alternative to the coated conductor and Bi-2223 PIT tape fabrication techniques. Ag-clad Yb-123 tapes were fabricated by groove rolling and subsequently, melt processed in different oxygen partial pressures in a zone-melting furnace with a gradient of 140 C/cm. The transition temperatures measured were found to be around 81 K undermost processing conditions. EPMA of the tapes processed under different conditions show the 123 phase to be Ba deficient and Cu and Yb rich. Critical current was measured at various temperatures from 77 K to 4.2 K. The J c increased with decrease in pO 2 . The highest I c obtained was 52 A at 4.2 K

Mechanical properties of melt-derived erbium oxide

International Nuclear Information System (INIS)

Neuman, A.D.; Blacic, M.J.; Platero, M.; Romero, R.S.; McClellan, K.J.; Petrovic, J.J.

1998-01-01

Erbium oxide (Er 2 O 3 ) is a rare earth oxide that is chemically and thermally stable and has a melting point of 2,430 C. There is relatively little information available regarding single crystal growth of erbia or the properties of erbia. In this study, erbia single crystals have been grown in a Xenon Optical Floating Zone Unit (XeOFZ) capable of melting materials at temperatures up to 3,000 C. Erbia was melt synthesized in the XeOFZ unit in a container less fashion, proving for little chance of contamination. Crystals were grown in compressed air and in reducing atmospheres. A recurring problem with melt synthesis of erbia is the appearance of flakes at the edges of the melt zone during growth; these flakes disrupt the growth process. The processing details and an initial survey of the physical properties of erbia single crystals is discussed

Fission Product Release from Spent Nuclear Fuel During Melting

International Nuclear Information System (INIS)

Howell, J.P.; Zino, J.F.

1998-09-01

The Melt-Dilute process consolidates aluminum-clad spent nuclear fuel by melting the fuel assemblies and diluting the 235U content with depleted uranium to lower the enrichment. During the process, radioactive fission products whose boiling points are near the proposed 850 degrees C melting temperature can be released. This paper presents a review of fission product release data from uranium-aluminum alloy fuel developed from Severe Accident studies. In addition, scoping calculations using the ORIGEN-S computer code were made to estimate the radioactive inventories in typical research reactor fuel as a function of burnup, initial enrichment, and reactor operating history and shutdown time.Ten elements were identified from the inventory with boiling points below or near the 850 degrees C reference melting temperature. The isotopes 137Cs and 85Kr were considered most important. This review serves as basic data to the design and development of a furnace off-gas system for containment of the volatile species

Models and observations of Arctic melt ponds

Science.gov (United States)

Golden, K. M.

2016-12-01

During the Arctic melt season, the sea ice surface undergoes a striking transformation from vast expanses of snow covered ice to complex mosaics of ice and melt ponds. Sea ice albedo, a key parameter in climate modeling, is largely determined by the complex evolution of melt pond configurations. In fact, ice-albedo feedback has played a significant role in the recent declines of the summer Arctic sea ice pack. However, understanding melt pond evolution remains a challenge to improving climate projections. It has been found that as the ponds grow and coalesce, the fractal dimension of their boundaries undergoes a transition from 1 to about 2, around a critical length scale of 100 square meters in area. As the ponds evolve they take complex, self-similar shapes with boundaries resembling space-filling curves. I will outline how mathematical models of composite materials and statistical physics, such as percolation and Ising models, are being used to describe this evolution and predict key geometrical parameters that agree very closely with observations.

Melting-curve extrema from a repulsive ''step'' potential

International Nuclear Information System (INIS)

Young, D.A.; Alder, B.J.

1977-01-01

Molecular dynamics calculations in two dimensions for particles interacting with a repulsive ''step'' potential show melting-curve maxima and minima as well as solid-solid phase transitions. These features are similar to those observed in the phase diagram of cesium and cerium

Melting of iron nanoparticles embedded in silica prepared by mechanical milling

International Nuclear Information System (INIS)

Ding, Peng; Ma, Ji; Cao, Hui; Liu, Yi; Wang, Lianwen; Li, Jiangong

2013-01-01

Highlights: • Melting of metallic nanoparticles was studied for some eight elements. • This slim range of materials is successfully expanded to iron. • A mechanical-milled iron–silica composite is employed. • For iron particles of 15 nm in diameter, the melting point depression is 30 K. • The measured data is in agreement with our theoretical calculations. -- Abstract: For decades, experimental studies on the size-dependent melting of metals are regretfully limited to some eight archetypal examples. In this work, to expand this slim range of materials, the melting behavior of Fe nanoparticles embedded in SiO 2 prepared by using mechanical milling are investigated. Effects of factors in sample preparation on the size, isolation and thermal stability of Fe nanoparticles are systematically studied. On this basis, the size-dependent melting of Fe is successfully traced: for Fe nanoparticles with a diameter of about 15 nm, the melting point depression is 30 °C in comparison with bulk Fe, in accordance with our recent theoretical prediction

Testing the renormalisation group theory of cooperative transitions at the lambda point of helium

Science.gov (United States)

Lipa, J. A.; Li, Q.; Chui, T. C. P.; Marek, D.

1988-01-01

The status of high resolution tests of the renormalization group theory of cooperative phase transitions performed near the lambda point of helium is described. The prospects for performing improved tests in space are discussed.

FARO tests corium-melt cooling in water pool: Roles of melt superheat and sintering in sediment

Energy Technology Data Exchange (ETDEWEB)

Hwang, Gisuk [Department of Mechanical Engineering, Wichita State University, Wichita, KS 67260 (United States); Kaviany, Massoud [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Moriyama, Kiyofumi [Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Park, Hyun Sun, E-mail: hejsunny@postech.ac.kr [Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Hwang, Byoungcheol; Lee, Mooneon; Kim, Eunho; Park, Jin Ho [Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Nasersharifi, Yahya [Department of Mechanical Engineering, Wichita State University, Wichita, KS 67260 (United States)

2016-08-15

Highlights: • The numerical approach for FARO experimental data is suggested. • The cooling mechanism of ex-vessel corium is suggested. • The predicted minimum pool depth for no cake formation is suggested. - Abstract: The FARO tests have aimed at understanding an important severe accident mitigation action in a light water reactor when the accident progresses from the reactor pressure vessel boundary. These tests have aimed to measure the coolability of a molten core material (corium) gravity dispersed as jet into a water pool, quantifying the loose particle diameter distribution and fraction converted to cake under range of initial melt superheat and pool temperature and depth. Under complete hydrodynamic breakup of corium and consequent sedimentation in the pool, the initially superheated corium can result in debris bed consisting of discrete solid particles (loose debris) and/or a solid cake at the bottom of the pool. The success of the debris bed coolability requires cooling of the cake, and this is controlled by the large internal resistance. We postulate that the corium cake forms when there is a remelting part in the sediment. We show that even though a solid shell forms around the melt particles transiting in the water pool due to film-boiling heat transfer, the superheated melt allows remelting of the large particles in the sediment (depending on the water temperature and the transit time) using the COOLAP (Coolability Analysis with Parametric fuel-cooant interaction models) code. With this remelting and its liquid-phase sintering of the non-remelted particles, we predict the fraction of the melt particles converting to a cake through liquid sintering. Our predictions are in good agreement with the existing results of the FARO experiments. We address only those experiments with pool depths sufficient/exceeding the length required for complete breakup of the molten jet. Our analysis of the fate of molten corium aimed at devising the effective

Vacancies und melting curves of metals at high pressure

International Nuclear Information System (INIS)

Gorecki, T.

1977-01-01

The vacancy mechanism of the melting process is utilized as a starting point in derivation of the pressure dependence of melting temperature for metals. The results obtained for the initial slope of the melting curve are compared with experimental data for 45 metals (including U, Np, Pu, rare earths) and in most cases the agreement is very good. An on-linearity of the fusion curve and appearence of the maximum on the melting curve at a pressure approximately equal to the bulk modulus is also predicted with qualitative agreement with existing experimental data. (orig./GSC) [de

Point Climat no. 29 'Managing France's energy transition while safeguarding economic competitiveness: be productive'

International Nuclear Information System (INIS)

Sartor, Oliver; Leguet, Benoit

2013-01-01

Among the publications of CDC Climat Research, 'Climate Briefs' presents, in a few pages, hot topics in climate change policy. This issue addresses the following points: - Is the French energy transition compatible with economic growth and a 'competitive' French economy? Our answer is 'yes, with some conditions'. - The French economy is better positioned today for a meaningful energy transition than it has been for over 40 years. At the level of the macro-economy, a steady shift to higher energy prices is now much easier without hurting economic growth than it once was. - A small percentage of energy-intensive sectors may need targeted and temporary assistance with this transition

The effect of transition metals additions on the temperature coefficient of linear expansion of titanium and vanadium

International Nuclear Information System (INIS)

Lesnaya, M.I.; Volokitin, G.G.; Kashchuk, V.A.

1976-01-01

Results are reported of an experimental research into the influence of small additions of α-transition metals on the temperature coefficient of linear expansion of titanium and vanadium. Using the configuration model of substance as the basis, expeained are the lowering of the critical liquefaction temperature or the melting point of vanadium and the raising of it, as caused by the addition of metals of the 6 group of the periodic chart and by the addition of metals of the 8 group, respectively, and also a shift in the temperature of the polymorphic α-β-transformation of titanium. Suggested as the best alloying metal for vanadium are tungsten and tantalum; for titaniums is vanadium whose admixtures lower the melting point and shift the polymorphic transformation temperature by as much as 100 to 120 degrees

A semi-Dirac point and an electromagnetic topological transition in a dielectric photonic crystal

KAUST Repository

Wu, Ying

2014-01-01

Accidental degeneracy in a photonic crystal consisting of a square array of elliptical dielectric cylinders leads to both a semi-Dirac point at the center of the Brillouin zone and an electromagnetic topological transition (ETT). A perturbation method is deduced to affirm the peculiar linear-parabolic dispersion near the semi-Dirac point. An effective medium theory is developed to explain the simultaneous semi-Dirac point and ETT and to show that the photonic crystal is either a zero-refractive-index material or an epsilon-near-zero material at the semi-Dirac point. Drastic changes in the wave manipulation properties at the semi-Dirac point, resulting from ETT, are described.©2014 Optical Society of America.

Phase-integral method allowing nearlying transition points

CERN Document Server

Fröman, Nanny

1996-01-01

The efficiency of the phase-integral method developed by the present au­ thors has been shown both analytically and numerically in many publica­ tions. With the inclusion of supplementary quantities, closely related to new Stokes constants and obtained with the aid of comparison equation technique, important classes of problems in which transition points may approach each other become accessible to accurate analytical treatment. The exposition in this monograph is of a mathematical nature but has important physical applications, some examples of which are found in the adjoined papers. Thus, we would like to emphasize that, although we aim at mathematical rigor, our treatment is made primarily with physical needs in mind. To introduce the reader into the background of this book, we start by de­ scribing the phase-integral approximation of arbitrary order generated from an unspecified base function. This is done in Chapter 1, which is reprinted, after minor changes, from a review article. Chapter 2 is the re...

Quantum Hooke's Law to Classify Pulse Laser Induced Ultrafast Melting

Science.gov (United States)

Hu, Hao; Ding, Hepeng; Liu, Feng

2015-02-01

Ultrafast crystal-to-liquid phase transition induced by femtosecond pulse laser excitation is an interesting material's behavior manifesting the complexity of light-matter interaction. There exist two types of such phase transitions: one occurs at a time scale shorter than a picosecond via a nonthermal process mediated by electron-hole plasma formation; the other at a longer time scale via a thermal melting process mediated by electron-phonon interaction. However, it remains unclear what material would undergo which process and why? Here, by exploiting the property of quantum electronic stress (QES) governed by quantum Hooke's law, we classify the transitions by two distinct classes of materials: the faster nonthermal process can only occur in materials like ice having an anomalous phase diagram characterized with dTm/dP < 0, where Tm is the melting temperature and P is pressure, above a high threshold laser fluence; while the slower thermal process may occur in all materials. Especially, the nonthermal transition is shown to be induced by the QES, acting like a negative internal pressure, which drives the crystal into a ``super pressing'' state to spontaneously transform into a higher-density liquid phase. Our findings significantly advance fundamental understanding of ultrafast crystal-to-liquid phase transitions, enabling quantitative a priori predictions.

Molten salt oxidation as a technique for decommissioning: selection of low melting point salt mixtures

International Nuclear Information System (INIS)

Lainetti, Paulo E.O.; Garcia, Vitor F.; Benvegnu, Guilherme

2013-01-01

During the 70 and 80 years, IPEN built several facilities in pilot scale, destined to the technological domain of the Nuclear Fuel Cycle. In the nineties, radical changes in the Brazilian nuclear policy determined the interruption of the activities and the shut-down of pilot plants. Nowadays, IPEN has been facing the problem of the dismantling and decommissioning of its Nuclear Fuel Cycle old facilities. The facility CELESTE-I of the IPEN is a laboratory where reprocessing studies were accomplished during the decade of 80 and in the beginning of the 90s. The last operations occurred in 92-93. The research activities generated radioactive wastes in the form of organic and aqueous solutions of different compositions and concentrations. For the treatment of these liquid wastes it was proposed a study of waste thermal decomposition based on the molten salt oxidation process.Decomposition tests of different organic wastes have been performed in laboratory equipment developed at IPEN, in the range of temperatures of 900 to 1020 deg C, demonstrating the complete oxidation of the compounds. The reduction of the process temperatures would be of crucial importance. Besides this, the selection of lower melting point salt mixtures would have an important impact in the reduction of equipment costs. Several experiments were performed to determine the most suitable salt mixtures, optimizing costs and melting temperatures as low as possible. This paper describes the main characteristics of the molten salt oxidation process, besides the selection of salt mixtures of binary and ternary compositions, respectively Na 2 CO 3 - NaOH and Na 2 CO 3 - K 2 CO 3 -Li 2 CO 3 . (author)

Thermalization calorimetry: A simple method for investigating glass transition and crystallization of supercooled liquids

Directory of Open Access Journals (Sweden)

Bo Jakobsen

2016-05-01

Full Text Available We present a simple method for fast and cheap thermal analysis on supercooled glass-forming liquids. This “Thermalization Calorimetry” technique is based on monitoring the temperature and its rate of change during heating or cooling of a sample for which the thermal power input comes from heat conduction through an insulating material, i.e., is proportional to the temperature difference between sample and surroundings. The monitored signal reflects the sample’s specific heat and is sensitive to exo- and endothermic processes. The technique is useful for studying supercooled liquids and their crystallization, e.g., for locating the glass transition and melting point(s, as well as for investigating the stability against crystallization and estimating the relative change in specific heat between the solid and liquid phases at the glass transition.

Structure of Cd-Ga melts. Pt. 2

International Nuclear Information System (INIS)

Hermann, G.; Rainer-Harbach, G.; Steeb, S.

1980-01-01

X-ray small-angle scattering experiments were performed on nine melts of the Cd-Ga system at different temperatures up to 440 0 C. Evaluation of the data follows the Ornstein-Zernike theory of critical scattering, thus yielding correlation lengths xi of concentration fluctuations and the long-wavelenght limit Ssub(C)sub(C)(0) of the Bhatia-Thornton structure factor. Studies of the concentration and temperature dependence of xi and Ssub(C)sub(C)(0) indicate that the critical point occurs at csub(c) = 50.0 +- 1.0 at% Ga and Tsub(c) = 295.2 +- 0.1 0 C. For a melt with the critical concentration, Ssub(C)sub(C)(0) increases up to 3500 times the ideal Ssup(i)sup(d)sub(c)sub(c)(0) = csub(A)csub(B). This indicates a strong segregation tendency. In the vicinity of the critical point of the Cd-Ga system, experimental correlation lengths xi > 100 Angstroem were obtained. The critical-point exponents ν and γ were determined. It follows that the behaviour of a critical Cd-Ga melt satisfies the prediction of the classical mean-field theory for higher temperatures, whereas, within experimental accuracy, the lattice-gas predictions are satisfied upon approaching the critical temperature. (orig.)

Duality between the Deconfined Quantum-Critical Point and the Bosonic Topological Transition

Directory of Open Access Journals (Sweden)

Yan Qi Qin

2017-09-01

Full Text Available Recently, significant progress has been made in (2+1-dimensional conformal field theories without supersymmetry. In particular, it was realized that different Lagrangians may be related by hidden dualities; i.e., seemingly different field theories may actually be identical in the infrared limit. Among all the proposed dualities, one has attracted particular interest in the field of strongly correlated quantum-matter systems: the one relating the easy-plane noncompact CP^{1} model (NCCP^{1} and noncompact quantum electrodynamics (QED with two flavors (N=2 of massless two-component Dirac fermions. The easy-plane NCCP^{1} model is the field theory of the putative deconfined quantum-critical point separating a planar (XY antiferromagnet and a dimerized (valence-bond solid ground state, while N=2 noncompact QED is the theory for the transition between a bosonic symmetry-protected topological phase and a trivial Mott insulator. In this work, we present strong numerical support for the proposed duality. We realize the N=2 noncompact QED at a critical point of an interacting fermion model on the bilayer honeycomb lattice and study it using determinant quantum Monte Carlo (QMC simulations. Using stochastic series expansion QMC simulations, we study a planar version of the S=1/2 J-Q spin Hamiltonian (a quantum XY model with additional multispin couplings and show that it hosts a continuous transition between the XY magnet and the valence-bond solid. The duality between the two systems, following from a mapping of their phase diagrams extending from their respective critical points, is supported by the good agreement between the critical exponents according to the proposed duality relationships. In the J-Q model, we find both continuous and first-order transitions, depending on the degree of planar anisotropy, with deconfined quantum criticality surviving only up to moderate strengths of the anisotropy. This explains previous claims of no deconfined

Crystallization in melts of short, semiflexible hard polymer chains: An interplay of entropies and dimensions

Science.gov (United States)

Shakirov, T.; Paul, W.

2018-04-01

What is the thermodynamic driving force for the crystallization of melts of semiflexible polymers? We try to answer this question by employing stochastic approximation Monte Carlo simulations to obtain the complete thermodynamic equilibrium information for a melt of short, semiflexible polymer chains with purely repulsive nonbonded interactions. The thermodynamics is obtained based on the density of states of our coarse-grained model, which varies by up to 5600 orders of magnitude. We show that our polymer melt undergoes a first-order crystallization transition upon increasing the chain stiffness at fixed density. This crystallization can be understood by the interplay of the maximization of different entropy contributions in different spatial dimensions. At sufficient stiffness and density, the three-dimensional orientational interactions drive the orientational ordering transition, which is accompanied by a two-dimensional translational ordering transition in the plane perpendicular to the chains resulting in a hexagonal crystal structure. While the three-dimensional ordering can be understood in terms of Onsager theory, the two-dimensional transition can be understood in terms of the liquid-hexatic transition of hard disks. Due to the domination of lateral two-dimensional translational entropy over the one-dimensional translational entropy connected with columnar displacements, the chains form a lamellar phase. Based on this physical understanding, orientational ordering and translational ordering should be separable for polymer melts. A phenomenological theory based on this understanding predicts a qualitative phase diagram as a function of volume fraction and stiffness in good agreement with results from the literature.

Mineral conversion and microstructure change in the melting process of Shenmu coal ash

Energy Technology Data Exchange (ETDEWEB)

Yang Jianguo; Deng Furong; Zhao Hong; Cen Kefa [Zhejiang University, Hangzhou (China). State Key Laboratory of Clean Energy Utilization

2007-05-15

China has rich reserves of Shenmu coal, which has the typical characteristic of low-melting-point ash. If used in the pulverized-coal boiler of a power plant, Shenmu coal would cause serious slagging. In order to solve the slagging problem of Shenmu coal, the melting mechanism of Shenmu coal ash was studied. One of the Shenmu coals - Wenjialiang coal - was selected for the study. Using thermogravimetry-differential scanning colorimetry (TG-DSC) methods, the change of the coal ash's physicochemistry with temperature was studied. The typical temperature points in the melting process were obtained. Ash samples of the different temperature points were prepared in a high-temperature furnace with parameters similar to those used in the TG-DSC test, and were then cooled quickly in water. Later, the ash samples were analyzed using X-ray diffraction (XRD) and scanning electron microscopy-energy dispersive X-ray analysis (SEM-EDX) methods in detail. Wenjialiang coal ash started to melt at 980{sup o}C. The ash was found to melt to a great extent at 1200{sup o}C and formed a multiform microstructure. At 1260{sup o}C, it was found to melt into a dense body with many pores, and formed a piece of vitreous body at 1340{sup o}C. Anorthite and gehlenite are the intermediate products that exist between 980 and 1340{sup o}C. They may be the main cause of the ash having low melting points, so that they could convert into a eutectic at low temperatures.

Eddy-resolving simulations of the Fimbul Ice Shelf cavity circulation: Basal melting and exchange with open ocean

Science.gov (United States)

Hattermann, T.; Smedsrud, L. H.; Nøst, O. A.; Lilly, J. M.; Galton-Fenzi, B. K.

2014-10-01

Melting at the base of floating ice shelves is a dominant term in the overall Antarctic mass budget. This study applies a high-resolution regional ice shelf/ocean model, constrained by observations, to (i) quantify present basal mass loss at the Fimbul Ice Shelf (FIS); and (ii) investigate the oceanic mechanisms that govern the heat supply to ice shelves in the Eastern Weddell Sea. The simulations confirm the low melt rates suggested by observations and show that melting is primarily determined by the depth of the coastal thermocline, regulating deep ocean heat fluxes towards the ice. Furthermore, the uneven distribution of ice shelf area at different depths modulates the melting response to oceanic forcing, causing the existence of two distinct states of melting at the FIS. In the simulated present-day state, only small amounts of Modified Warm Deep Water enter the continental shelf, and ocean temperatures beneath the ice are close to the surface freezing point. The basal mass loss in this so-called state of "shallow melting" is mainly controlled by the seasonal inflow of solar-heated surface water affecting large areas of shallow ice in the upper part of the cavity. This is in contrast to a state of "deep melting", in which the thermocline rises above the shelf break depth, establishing a continuous inflow of Warm Deep Water towards the deep ice. The transition between the two states is found to be determined by a complex response of the Antarctic Slope Front overturning circulation to varying climate forcings. A proper representation of these frontal dynamics in climate models will therefore be crucial when assessing the evolution of ice shelf basal melting along this sector of Antarctica.

A powerful way of cooling computer chip using liquid metal with low melting point as the cooling fluid

Energy Technology Data Exchange (ETDEWEB)

Li Teng; Lv Yong-Gang [Chinese Academy of Sciences, Beijing (China). Cryogenic Lab.; Chinese Academy of Sciences, Beijing (China). Graduate School; Liu Jing; Zhou Yi-Xin [Chinese Academy of Sciences, Beijing (China). Cryogenic Lab.

2006-12-15

With the improvement of computational speed, thermal management becomes a serious concern in computer system. CPU chips are squeezing into tighter and tighter spaces with no more room for heat to escape. Total power-dissipation levels now reside about 110 W, and peak power densities are reaching 400-500 W/mm{sup 2} and are still steadily climbing. As a result, higher performance and greater reliability are extremely tough to attain. But since the standard conduction and forced-air convection techniques no longer be able to provide adequate cooling for sophisticated electronic systems, new solutions are being looked into liquid cooling, thermoelectric cooling, heat pipes, and vapor chambers. In this paper, we investigated a novel method to significantly lower the chip temperature using liquid metal with low melting point as the cooling fluid. The liquid gallium was particularly adopted to test the feasibility of this cooling approach, due to its low melting point at 29.7 C, high thermal conductivity and heat capacity. A series of experiments with different flow rates and heat dissipation rates were performed. The cooling capacity and reliability of the liquid metal were compared with that of the water-cooling and very attractive results were obtained. Finally, a general criterion was introduced to evaluate the cooling performance difference between the liquid metal cooling and the water-cooling. The results indicate that the temperature of the computer chip can be significantly reduced with the increasing flow rate of liquid gallium, which suggests that an even higher power dissipation density can be achieved with a large flow of liquid gallium and large area of heat dissipation. The concept discussed in this paper is expected to provide a powerful cooling strategy for the notebook PC, desktop PC and large computer. It can also be extended to more wide area involved with thermal management on high heat generation rate. (orig.)

Volume dependence of the melting temperature for alkali metals with Debye's model

International Nuclear Information System (INIS)

Soma, T.; Kagaya, H.M.; Nishigaki, M.

1983-01-01

Using the volume dependence of the Grueneisen constant at higher temperatures, the volume effect on the melting temperature of alkali metals is studied by Lindeman's melting law and Debye's model. The obtained melting curve increases as a function of the compressed volume and shows the maximum of the melting point at the characteristic volume. The resultant data are qualitatively in agreement with the observed tendency for alkali metals. (author)

Experiments on melt droplets falling into a water pool

Energy Technology Data Exchange (ETDEWEB)

Okkonen, T.; Sehgal, B.R. [Royal Inst. of Tech., Stockholm (Sweden). Div. of Nuclear Power Safety

1998-01-01

This paper presents experimental data and analysis related to melt droplets falling into a water pool. A binary CaO-B{sub 2}O{sub 3} melt mixture is used to study the influence of melt superheat and water subcooling on droplet deformation and fragmentation. For the conditions studied (We {<=} 1000), the surface tension of the melt droplet and the film boiling stability greatly affect the fragmentation behaviour. If the melt temperature is between the liquidus and solidus point (mushy zone) or if the film boiling is stable due to a relatively low subcooling, the droplet deformation and fragmentation are mitigated. This behaviour can be related to the effective Weber number (We) of the melt droplet upon entry into the water pool. Similar phenomena can be expected also for interactions of corium (UO{sub 2}-ZrO{sub 2}) and water, which are characterized by a potentially fast transformation of melt into the mushy zone and by particularly stable film boiling. (author)

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).

Melting relations of model lherzolite in the system CaO-MgO-Al2O3-SiO2 at 2.4-3.4 GPa and the generation of komatiites

Science.gov (United States)

Gudfinnsson, Gudmundur H.; Presnall, Dean C.

1996-12-01

Isobarically invariant phase relations in the CaO-MgO-Al2O3-SiO2 system (CMAS) involving the lherzolite phase assemblage in equilibrium with liquid have been determined at 2.4-3.4 GPa. These phase relations form the solidus of model lherzolite in the CMAS system. Our data, which include determinations of all phase compositions, are in excellent agreement with the 3.0 and 4.0 GPa points of Milholland and Presnall [1991] and Davis and Schairer [1965], respectively. The invariant transition on the P-T solidus curve from spinel- to garnet-lherzolite at 3.0 GPa, 1575°C [Milholland and Presnall, 1991], is confirmed, but we observe that the theoretically required temperature depression on the solidus curve at this point is not experimentally detectable. Composition trends along the solidus take a sharp turn at the transition. In the spinel-lherzolite stability field, melt compositions become increasingly Fo-normative and less En-normative with increasing pressure, but become less Fo-normative and more pyroxenitic as pressure increases in the garnet-lherzolite stability field. Calculated melting reactions indicate that forsterite is in reaction relationship with the melt up to 3.0 GPa. Orthopyroxene is also in reaction relationship at pressures higher than just over 2.8 GPa and is the only phase in reaction relationship with the melt in the garnet-lherzolite stability field. Comparison of the normative compositions and the CaO/Al2O3 values of the komatiites of Gorgona Island and of the Reliance Formation in Zimbabwe with the compositions of liquids along the solidus of model lherzolite in the CMAS system indicates that the former komatiites were generated at pressures close to 3.7 GPa and the latter at close to 4.5 GPa, assuming that the melt generation occurred in the presence of the complete garnet-lherzolite assemblage.

A compositional tipping point governing the mobilization and eruption style of rhyolitic magma.

Science.gov (United States)

Di Genova, D; Kolzenburg, S; Wiesmaier, S; Dallanave, E; Neuville, D R; Hess, K U; Dingwell, D B

2017-12-13

The most viscous volcanic melts and the largest explosive eruptions on our planet consist of calcalkaline rhyolites. These eruptions have the potential to influence global climate. The eruptive products are commonly very crystal-poor and highly degassed, yet the magma is mostly stored as crystal mushes containing small amounts of interstitial melt with elevated water content. It is unclear how magma mushes are mobilized to create large batches of eruptible crystal-free magma. Further, rhyolitic eruptions can switch repeatedly between effusive and explosive eruption styles and this transition is difficult to attribute to the rheological effects of water content or crystallinity. Here we measure the viscosity of a series of melts spanning the compositional range of the Yellowstone volcanic system and find that in a narrow compositional zone, melt viscosity increases by up to two orders of magnitude. These viscosity variations are not predicted by current viscosity models and result from melt structure reorganization, as confirmed by Raman spectroscopy. We identify a critical compositional tipping point, independently documented in the global geochemical record of rhyolites, at which rhyolitic melts fluidize or stiffen and that clearly separates effusive from explosive deposits worldwide. This correlation between melt structure, viscosity and eruptive behaviour holds despite the variable water content and other parameters, such as temperature, that are inherent in natural eruptions. Thermodynamic modelling demonstrates how the observed subtle compositional changes that result in fluidization or stiffening of the melt can be induced by crystal growth from the melt or variation in oxygen fugacity. However, the rheological effects of water and crystal content alone cannot explain the correlation between composition and eruptive style. We conclude that the composition of calcalkaline rhyolites is decisive in determining the mobilization and eruption dynamics of Earth

A compositional tipping point governing the mobilization and eruption style of rhyolitic magma

Science.gov (United States)

di Genova, D.; Kolzenburg, S.; Wiesmaier, S.; Dallanave, E.; Neuville, D. R.; Hess, K. U.; Dingwell, D. B.

2017-12-01

The most viscous volcanic melts and the largest explosive eruptions on our planet consist of calcalkaline rhyolites. These eruptions have the potential to influence global climate. The eruptive products are commonly very crystal-poor and highly degassed, yet the magma is mostly stored as crystal mushes containing small amounts of interstitial melt with elevated water content. It is unclear how magma mushes are mobilized to create large batches of eruptible crystal-free magma. Further, rhyolitic eruptions can switch repeatedly between effusive and explosive eruption styles and this transition is difficult to attribute to the rheological effects of water content or crystallinity. Here we measure the viscosity of a series of melts spanning the compositional range of the Yellowstone volcanic system and find that in a narrow compositional zone, melt viscosity increases by up to two orders of magnitude. These viscosity variations are not predicted by current viscosity models and result from melt structure reorganization, as confirmed by Raman spectroscopy. We identify a critical compositional tipping point, independently documented in the global geochemical record of rhyolites, at which rhyolitic melts fluidize or stiffen and that clearly separates effusive from explosive deposits worldwide. This correlation between melt structure, viscosity and eruptive behaviour holds despite the variable water content and other parameters, such as temperature, that are inherent in natural eruptions. Thermodynamic modelling demonstrates how the observed subtle compositional changes that result in fluidization or stiffening of the melt can be induced by crystal growth from the melt or variation in oxygen fugacity. However, the rheological effects of water and crystal content alone cannot explain the correlation between composition and eruptive style. We conclude that the composition of calcalkaline rhyolites is decisive in determining the mobilization and eruption dynamics of Earth�

Discrete elastic model for two-dimensional melting.

Science.gov (United States)

Lansac, Yves; Glaser, Matthew A; Clark, Noel A

2006-04-01

We present a network model for the study of melting and liquid structure in two dimensions, the first in which the presence and energy of topological defects (dislocations and disclinations) and of geometrical defects (elemental voids) can be independently controlled. Interparticle interaction is via harmonic springs and control is achieved by Monte Carlo moves which springs can either be orientationally "flipped" between particles to generate topological defects, or can be "popped" in force-free shape, to generate geometrical defects. With the geometrical defects suppressed the transition to the liquid phase occurs via disclination unbinding, as described by the Kosterlitz-Thouless-Halperin-Nelson-Young model and found in soft potential two-dimensional (2D) systems, such as the dipole-dipole potential [H. H. von Grünberg, Phys. Rev. Lett. 93, 255703 (2004)]. By contrast, with topological defects suppressed, a disordering transition, the Glaser-Clark condensation of geometrical defects [M. A. Glaser and N. A. Clark, Adv. Chem. Phys. 83, 543 (1993); M. A. Glaser, (Springer-Verlag, Berlin, 1990), Vol. 52, p. 141], produces a state that accurately characterizes the local liquid structure and first-order melting observed in hard-potential 2D systems, such as hard disk and the Weeks-Chandler-Andersen (WCA) potentials (M. A. Glaser and co-workers, see above). Thus both the geometrical and topological defect systems play a role in melting. The present work introduces a system in which the relative roles of topological and geometrical defects and their interactions can be explored. We perform Monte Carlo simulations of this model in the isobaric-isothermal ensemble, and present the phase diagram as well as various thermodynamic, statistical, and structural quantities as a function of the relative populations of geometrical and topological defects. The model exhibits a rich phase behavior including hexagonal and square crystals, expanded crystal, dodecagonal quasicrystal

Thermodynamics of freezing and melting

DEFF Research Database (Denmark)

Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas

2016-01-01

phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio...

Molecular dynamics simulation of UO2 nanocrystals melting under isolated and periodic boundary conditions

International Nuclear Information System (INIS)

Boyarchenkov, A.S.; Potashnikov, S.I.; Nekrasov, K.A.; Kupryazhkin, A.Ya.

2012-01-01

Highlights: ► We perform MD simulation of UO 2 nanocrystals melting (in range of 768–49 152 ions). ► T(P) melting curves intersect zero near −20 GPa and saturate near 25 GPa. ► Reciprocal size dependences of nanocrystal melting point decrease nonlinearly. ► Linear and parabolic extrapolations to macroscopic values are considered. ► Melting point and density jump are reproduced, but heat of fusion is underestimated. - Abstract: Melting of uranium dioxide (UO 2 ) nanocrystals has been studied by molecular dynamics (MD) simulation. Ten recent and widely used sets of pair potentials were assessed in the rigid ion approximation. Both isolated (in vacuum) and periodic boundary conditions (PBC) were explored. Using barostat under PBC the pressure dependences of melting point were obtained. These curves intersected zero near −20 GPa, saturated near 25 GPa and increased nonlinearly in between. Using simulation of surface under isolated boundary conditions (IBC) recommended melting temperature and density jump were successfully reproduced. However, the heat of fusion is still underestimated. These melting characteristics were calculated for nanocrystals of cubic shape in the range of 768–49 152 particles (volume range of 10–1000 nm 3 ). The obtained reciprocal size dependences decreased nonlinearly. Linear and parabolic extrapolations to macroscopic values are considered. The parabolic one is found to be better suited for analysis of the data on temperature and heat of melting.

Melt electrospinning of biodegradable polyurethane scaffolds

Science.gov (United States)

Karchin, Ari; Simonovsky, Felix I.; Ratner, Buddy D.; Sanders, Joan E.

2014-01-01

Electrospinning from the melt, in contrast to from solution, is an attractive tissue engineering scaffold manufacturing process as it allows for the formation of small diameter fibers while eliminating potentially cytotoxic solvents. Despite this, there is a dearth of literature on scaffold formation via melt electrospinning. This is likely due to the technical challenges related to the need for a well-controlled high temperature setup and the difficulty in developing an appropriate polymer. In this paper, a biodegradable and thermally stable polyurethane (PU) is described specifically for use in melt electrospinning. Polymer formulations of aliphatic PUs based on (CH2)4-content diisocyanates, polycaprolactone (PCL), 1,4-butanediamine and 1,4-butanediol (BD) were evaluated for utility in the melt electrospinning process. The final polymer formulation, a catalyst-purified PU based on 1,4-butane diisocyanate, PCL and BD in a 4/1/3 molar ratio with a weight-average molecular weight of about 40 kDa, yielded a nontoxic polymer that could be readily electrospun from the melt. Scaffolds electrospun from this polymer contained point bonds between fibers and mechanical properties analogous to many in vivo soft tissues. PMID:21640853

Melting Behavior of Organic Nanocrystals Grown in Sol-gel Matrices

International Nuclear Information System (INIS)

Sanz, N.; Boudet, A.; Ibanez, A.

2002-01-01

We have characterized the thermal stability of organic nanocrystals grown in the pores of sol-gel matrices. The structure has been measured with transmission electron microscopy (TEM) analysis. Depending on the nature of organic molecules and sol-gel matrices, we have modified the dye-matrix interactions and the interfacial structure between nanocrystals and gel-glasses. When the dye-matrix interactions are weak (Van der Waals' bonds), the corresponding interfacial structure observed by TEM is sharp and the nanocrystals melt below the bulk melting point. On the other hand, when the dye-matrix interactions are strong (hydrogen bonds), the interfacial structure is fuzzy and a great superheating of organic nanocrystals is observed in comparison to the bulk melting point of the dye

Heat and mass transfer in semiconductor melts during single-crystal growth processes

Science.gov (United States)

Kakimoto, Koichi

1995-03-01

The quality of large semiconductor crystals grown from melts is significantly affected by the heat and mass transfer in the melts. The current understanding of the phenomena, especially melt convection, is reviewed starting from the results of visualization using model fluids or silicon melt, and continuing to the detailed numerical calculations needed for quantitative modeling of processing with solidification. The characteristics of silicon flows are also reviewed by focusing on the Coriolis force in the rotating melt. Descriptions of flow instabilities are included that show the level of understanding of melt convection with a low Prandtl number. Based on hydrodynamics, the origin of the silicon flow structure is reviewed, and it is discussed whether silicon flow is completely turbulent or has an ordered structure. The phase transition from axisymmetric to nonaxisymmetric flow is discussed using different geometries. Additionally, surface-tension-driven flow is reviewed for Czochralski crystal growth systems.

Anisotropic Defect-Mediated Melting of Two-Dimensional Colloidal Crystals

Science.gov (United States)

Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.

2004-09-01

The melting transition of anisotropic two-dimensional (2D) crystals is studied in a model system of superparamagnetic colloids. The anisotropy of the induced dipole-dipole interaction is varied by tilting the external magnetic field off the normal to the particle plane. By analyzing the time-dependent Lindemann parameter as well as translational and orientational order we observe a 2D smecticlike phase. The Kosterlitz-Thouless-Halperin-Nelson-Young scenario of isotropic melting is modified: dislocation pairs and dislocations appear with different probabilities depending on their orientation with respect to the in-plane field.

Petrological Geodynamics of Mantle Melting II. AlphaMELTS + Multiphase Flow: Dynamic Fractional Melting

Science.gov (United States)

Tirone, Massimiliano

2018-03-01

In this second installment of a series that aims to investigate the dynamic interaction between the composition and abundance of the solid mantle and its melt products, the classic interpretation of fractional melting is extended to account for the dynamic nature of the process. A multiphase numerical flow model is coupled with the program AlphaMELTS, which provides at the moment possibly the most accurate petrological description of melting based on thermodynamic principles. The conceptual idea of this study is based on a description of the melting process taking place along a 1-D vertical ideal column where chemical equilibrium is assumed to apply in two local sub-systems separately on some spatial and temporal scale. The solid mantle belongs to a local sub-system (ss1) that does not interact chemically with the melt reservoir which forms a second sub-system (ss2). The local melt products are transferred in the melt sub-system ss2 where the melt phase eventually can also crystallize into a different solid assemblage and will evolve dynamically. The main difference with the usual interpretation of fractional melting is that melt is not arbitrarily and instantaneously extracted from the mantle, but instead remains a dynamic component of the model, hence the process is named dynamic fractional melting (DFM). Some of the conditions that may affect the DFM model are investigated in this study, in particular the effect of temperature, mantle velocity at the boundary of the mantle column. A comparison is made with the dynamic equilibrium melting (DEM) model discussed in the first installment. The implications of assuming passive flow or active flow are also considered to some extent. Complete data files of most of the DFM simulations, four animations and two new DEM simulations (passive/active flow) are available following the instructions in the supplementary material.

Holographic picture of heavy vector meson melting

Energy Technology Data Exchange (ETDEWEB)

Braga, Nelson R.F.; Diles, Saulo [Universidade Federal do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro, RJ (Brazil); Martin Contreras, Miguel Angel [Universidad de los Andes, High Energy Group, Department of Physics, Bogota (Colombia)

2016-11-15

The fraction of heavy vector mesons produced in a heavy ion collision, as compared to a proton-proton collision, serves as an important indication of the formation of a thermal medium, the quark-gluon plasma. This sort of analysis strongly depends on understanding the thermal effects of a medium like the plasma on the states of heavy mesons. In particular, it is crucial to know the temperature ranges where they undergo a thermal dissociation, or melting. AdS/QCD models are know to provide an important tool for the calculation of hadronic masses, but in general are not consistent with the observation that decay constants of heavy vector mesons decrease with excitation level. It has recently been shown that this problem can be overcome using a soft wall background and introducing an extra energy parameter, through the calculation of correlation functions at a finite position of anti-de Sitter space. This approach leads to the evaluation of masses and decay constants of S wave quarkonium states with just one flavor dependent and one flavor independent parameter. Here we extend this more realistic model to finite temperatures and analyze the thermal behavior of the states 1S, 2S and 3S of bottomonium and charmonium. The corresponding spectral function exhibits a consistent picture for the melting of the states where, for each flavor, the higher excitations melt at lower temperatures. We estimate for these six states the energy ranges in which the heavy vector mesons undergo a transition from a well-defined peak in the spectral function to complete melting in the thermal medium. A very clear distinction between the heavy flavors emerges, with the bottomonium state Υ(1S) surviving a deconfinement transition at temperatures much larger than the critical deconfinement temperature of the medium. (orig.)

The importance of accurate interaction potentials in the melting of argon nanoclusters

Science.gov (United States)

Pahl, E.; Calvo, F.; Schwerdtfeger, P.

The melting temperatures of argon clusters ArN (N = 13, 55, 147, 309, 561, and 923) and of bulk argon have been obtained from exchange Monte Carlo simulations and are compared using different two-body interaction potentials, namely the standard Lennard-Jones (LJ), Aziz and extended Lennard-Jones (ELJ) potentials. The latter potential has many advantages: while maintaining the computational efficiency of the commonly used LJ potential, it is as accurate as the Aziz potential but the computer time scales more favorably with increasing cluster size. By applying the ELJ form and extrapolating the cluster data to the infinite system, we are able to extract the melting point of argon already in good agreement with experimental measurements. By considering the additional Axilrod-Teller three-body contribution as well, we calculate a melting temperature of T meltELJ = 84.7 K compared to the experimental value of T meltexp = 83.85 K, whereas the LJ potential underestimates the melting point by more than 7 K. Thus melting temperatures within 1 K accuracy are now feasible.

The melting mechanism in binary Pd0.25Ni0.75 nanoparticles: molecular dynamics simulations

Science.gov (United States)

Domekeli, U.; Sengul, S.; Celtek, M.; Canan, C.

2018-02-01

The melting mechanism for Pd0.25Ni0.75 alloy nanoparticles (NPs) was investigated using molecular dynamics (MD) simulations with quantum Sutton-Chen many-body potentials. NPs of six different sizes ranging from 682 to 22,242 atoms were studied to observe the effect of size on the melting point. The melting temperatures of the NPs were estimated by following the changes in both the thermodynamic and structural quantities such as the total energy, heat capacity and Lindemann index. We also used a thermodynamics model to better estimate the melting point and to check the accuracy of MD simulations. We observed that the melting points of the NPs decreased as their sizes decreased. Although the MD simulations for the bulk system yielded higher melting temperatures because of the lack of a seed for the liquid phase, the melting temperatures determined for both the bulk material and the NPs are in good agreement with those predicted from the thermodynamics model. The melting mechanism proceeds in two steps: firstly, a liquid-like shell is formed in the outer regions of the NP with increasing temperature. The thickness of the liquid-like shell increases with increasing temperature until the shell reaches a critical thickness. Then, the entire Pd-Ni NP including core-related solid-like regions melts at once.

Applying of isoconversional analysis to calorimetric data on the gel melting

Science.gov (United States)

Dranca, I.; Lupascu, T.; Povar, I.

2012-02-01

The present study is concerned to the thermal stability of gelatin gels that is defined that their resistance to melting or, in other words, to the thermally stimulated transitions from gel to sol. The both sol-gel and gel-sol transitions were followed by regular Mettler-Toledo DSC 823e and stochastically modulated multi-frequency DSC (TOPEM® by Mettler-Toledo). The DSC data have been treated by using an advanced isoconversional method developed by Vyazovkin [1,2]. The method allows revealing a variation in the effective activation energy (Eα) with the extent of conversion (α). It has been discovered that an increase in the concentration of gelatin solutions causes an increase in the energy barrier to melting of non-isothermally prepared gels.

New encapsulation method using low-melting-point alloy for sealing micro heat pipes

International Nuclear Information System (INIS)

Li, Congming; Wang, Xiaodong; Zhou, Chuanpeng; Luo, Yi; Li, Zhixin; Li, Sidi

2017-01-01

This study proposed a method using Low-melting-point alloy (LMPA) to seal Micro heat pipes (MHPs), which were made of Si substrates and glass covers. Corresponding MHP structures with charging and sealing channels were designed. Three different auxiliary structures were investigated to study the sealability of MHPs with LMPA. One structure is rectangular and the others are triangular with corner angles of 30° and 45°, respectively. Each auxiliary channel for LMPA is 0.5 mm wide and 135 μm deep. LMPA was heated to molten state, injected to channels, and then cooled to room temperature. According to the material characteristic of LMPA, the alloy should swell in the following 12 hours to form strong interaction force between LMPA and Si walls. Experimental results show that the flow speed of liquid LMPA in channels plays an important role in sealing MHPs, and the sealing performance of triangular structures is always better than that of rectangular structure. Therefore, triangular structures are more suitable in sealing MHPs than rectangular ones. LMPA sealing is a plane packaging method that can be applied in the thermal management of high-power IC device and LEDs. Meanwhile, implanting in commercialized fabrication of MHP is easy.

New encapsulation method using low-melting-point alloy for sealing micro heat pipes

Energy Technology Data Exchange (ETDEWEB)

Li, Congming; Wang, Xiaodong; Zhou, Chuanpeng; Luo, Yi; Li, Zhixin; Li, Sidi [Dalian University of Technology, Dalian (China)

2017-06-15

This study proposed a method using Low-melting-point alloy (LMPA) to seal Micro heat pipes (MHPs), which were made of Si substrates and glass covers. Corresponding MHP structures with charging and sealing channels were designed. Three different auxiliary structures were investigated to study the sealability of MHPs with LMPA. One structure is rectangular and the others are triangular with corner angles of 30° and 45°, respectively. Each auxiliary channel for LMPA is 0.5 mm wide and 135 μm deep. LMPA was heated to molten state, injected to channels, and then cooled to room temperature. According to the material characteristic of LMPA, the alloy should swell in the following 12 hours to form strong interaction force between LMPA and Si walls. Experimental results show that the flow speed of liquid LMPA in channels plays an important role in sealing MHPs, and the sealing performance of triangular structures is always better than that of rectangular structure. Therefore, triangular structures are more suitable in sealing MHPs than rectangular ones. LMPA sealing is a plane packaging method that can be applied in the thermal management of high-power IC device and LEDs. Meanwhile, implanting in commercialized fabrication of MHP is easy.

GLASS MELTING PHENOMENA, THEIR ORDERING AND MELTING SPACE UTILISATION

Directory of Open Access Journals (Sweden)

Němec L.

2013-12-01

Full Text Available Four aspects of effective glass melting have been defined – namely the fast kinetics of partial melting phenomena, a consideration of the melting phenomena ordering, high utilisation of the melting space, and effective utilisation of the supplied energy. The relations were defined for the specific melting performance and specific energy consumption of the glass melting process which involve the four mentioned aspects of the process and indicate the potentials of effective melting. The quantity “space utilisation” has been treated in more detail as an aspect not considered in practice till this time. The space utilisation was quantitatively defined and its values have been determined for the industrial melting facility by mathematical modelling. The definitions of the specific melting performance and specific energy consumption have been used for assessment of the potential impact of a controlled melt flow and high space utilisation on the melting process efficiency on the industrial scale. The results have shown that even the partial control of the melt flow, leading to the partial increase of the space utilisation, may considerably increase the melting performance, whereas a decrease of the specific energy consumption was determined to be between 10 - 15 %.

Microcanonical Monte Carlo approach for computing melting curves by atomistic simulations

OpenAIRE

Davis, Sergio; Gutiérrez, Gonzalo

2017-01-01

We report microcanonical Monte Carlo simulations of melting and superheating of a generic, Lennard-Jones system starting from the crystalline phase. The isochoric curve, the melting temperature $T_m$ and the critical superheating temperature $T_{LS}$ obtained are in close agreement (well within the microcanonical temperature fluctuations) with standard molecular dynamics one-phase and two-phase methods. These results validate the use of microcanonical Monte Carlo to compute melting points, a ...

Apparatus and methods for investigations into acoustic properties of electronic melts

International Nuclear Information System (INIS)

Glazov, V.M.; Timoshenko, V.I.; Kim, S.G.

1985-01-01

Apparatus and highly sensitive methods of systematic investigations into acoustic properties of electronic melts are described. A variant of a measuring cell to investigate agressive melts is presented. A new technique for the reception of an acoustic contact with high transmission capacity of ultrasonic wave based on utilization of clarified layers of liquid boron anhydride is described. Results of calibration tests on lead and aluminium melts point to a good agreement with literature data. High sensitivity of the above technique allows one to reveal thin structural effects in melts

Correlation for downward melt penetration into a miscible low-density substrate

International Nuclear Information System (INIS)

Fang, L.J.; Cheung, F.B.; Pedersen, D.R.; Linehan, J.H.

1984-01-01

Downward penetration of a sacrificial bed material or a concrete basemat structure by an overlying layer of core melt resulting from a hypothetical core disruptive accident has been a major issue in post accident heat removal studies. One characteristic feature of this problem is that the solid substrate, when molten, is miscible with and lighter than the core melt so that the rate of penetration is strongly dependent upon the motion of natural convection in the melt layer driven by the density difference between the core melt and the molten substrate. This fundamentally interesting and technologically important problem has been investigated by a number of researchers. Significantly different melting rates, however, were observed in these studies. Questions concerning the occurrence of flow transition and its effect on melt penetration remain to be answered. To promote the understanding of the phenomena and to strengthen the data base of melt penetration, simulation experiments were conducted using various kinds of salt solutions (KI, NaCl, CaCl 2 , and MgCl 2 solutions) as the working fluid and an air-bubble-free ice slab as the solid substrate

Premelting, Melting, and Degradation Properties of Molten Alkali Nitrates: LiNO3, NaNO3, KNO3, and Binary NaNO3-KNO3

Science.gov (United States)

Mohammad, Mehedi Bin; Brooks, Geoffrey Alan; Rhamdhani, Muhammad Akbar

2018-02-01

A simultaneous thermal analyzer (STA) was used to observe the transition and degradation events of LiNO3, NaNO3, KNO3, and binary NaNO3-KNO3 salts for potential use as phase change materials (PCMs) and heat transfer fluid (HTF). Samples were heated from 50 °C to 800 °C at 10 °C/min scanning rate in three atmospheres (argon, air, and oxygen) using an STA to observe decomposition behavior. Thermal stability increased for all salts at high partial pressure of O2 ( P_{{{O}2 }} = 1.0) compared to inert argon ( P_{{{O}2 }} = 0). O2, N2, NO, N2O, and NO2 were main evolved gases during nitrate decomposition. NO and O2 started to evolve at approximately the same temperature after melting, indicating that primary and secondary decomposition reactions were concurrent and overlapping. The solid-solid transition, liquidus and solidus temperatures, heat of transition, heat of melting, and heat of solidification were obtained at various heating-cooling rates (1, 2, 4, 5, 6, 8, 10, and 15 °C/min) using an STA. At all heating-cooling rates, a small gap exists between liquidus and solidus temperatures for all samples due to the salts exhibiting supercooling phenomena. This study showed that the degradation point depends on the blanket atmosphere top of the molten salts and that heating rates have a minor effect on transition events (peaks height, peaks width, and transition enthalpies).

Premelting, Melting, and Degradation Properties of Molten Alkali Nitrates: LiNO3, NaNO3, KNO3, and Binary NaNO3-KNO3

Science.gov (United States)

Mohammad, Mehedi Bin; Brooks, Geoffrey Alan; Rhamdhani, Muhammad Akbar

2018-06-01

A simultaneous thermal analyzer (STA) was used to observe the transition and degradation events of LiNO3, NaNO3, KNO3, and binary NaNO3-KNO3 salts for potential use as phase change materials (PCMs) and heat transfer fluid (HTF). Samples were heated from 50 °C to 800 °C at 10 °C/min scanning rate in three atmospheres (argon, air, and oxygen) using an STA to observe decomposition behavior. Thermal stability increased for all salts at high partial pressure of O2 ( P_{{{O}2 }} = 1.0) compared to inert argon ( P_{{{O}2 }} = 0). O2, N2, NO, N2O, and NO2 were main evolved gases during nitrate decomposition. NO and O2 started to evolve at approximately the same temperature after melting, indicating that primary and secondary decomposition reactions were concurrent and overlapping. The solid-solid transition, liquidus and solidus temperatures, heat of transition, heat of melting, and heat of solidification were obtained at various heating-cooling rates (1, 2, 4, 5, 6, 8, 10, and 15 °C/min) using an STA. At all heating-cooling rates, a small gap exists between liquidus and solidus temperatures for all samples due to the salts exhibiting supercooling phenomena. This study showed that the degradation point depends on the blanket atmosphere top of the molten salts and that heating rates have a minor effect on transition events (peaks height, peaks width, and transition enthalpies).

Melting of short 1-alcohol monolayers on water: Thermodynamics and x-ray scattering studies

DEFF Research Database (Denmark)

Berge, B.; Konovalov, O.; Lajzerowicz, J.

1994-01-01

From surface tension measurements we extract the melting entropy Delta S-2D of fatty-alcohol monolayers on water. Delta S-2D is found to be 4(kB)/mol lower than in the bulk. Because of the role of the conformational entropy, the melting transition is discontinuous for long chains, but tends to be...

Tricritical point in quantum phase transitions of the Coleman–Weinberg model at Higgs mass

International Nuclear Information System (INIS)

Fiolhais, Miguel C.N.; Kleinert, Hagen

2013-01-01

The tricritical point, which separates first and second order phase transitions in three-dimensional superconductors, is studied in the four-dimensional Coleman–Weinberg model, and the similarities as well as the differences with respect to the three-dimensional result are exhibited. The position of the tricritical point in the Coleman–Weinberg model is derived and found to be in agreement with the Thomas–Fermi approximation in the three-dimensional Ginzburg–Landau theory. From this we deduce a special role of the tricritical point for the Standard Model Higgs sector in the scope of the latest experimental results, which suggests the unexpected relevance of tricritical behavior in the electroweak interactions.

Renormalization group study of the melting of a two-dimensional system of collapsing hard disks

Science.gov (United States)

Ryzhov, V. N.; Tareyeva, E. E.; Fomin, Yu. D.; Tsiok, E. N.; Chumakov, E. S.

2017-06-01

We consider the melting of a two-dimensional system of collapsing hard disks (a system with a hard-disk potential to which a repulsive step is added) for different values of the repulsive-step width. We calculate the system phase diagram by the method of the density functional in crystallization theory using equations of the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young theory to determine the lines of stability with respect to the dissociation of dislocation pairs, which corresponds to the continuous transition from the solid to the hexatic phase. We show that the crystal phase can melt via a continuous transition at low densities (the transition to the hexatic phase) with a subsequent transition from the hexatic phase to the isotropic liquid and via a first-order transition. Using the solution of renormalization group equations with the presence of singular defects (dislocations) in the system taken into account, we consider the influence of the renormalization of the elastic moduli on the form of the phase diagram.

Modeling of nuclear waste disposal by rock melting

International Nuclear Information System (INIS)

Heuze, F.E.

1982-04-01

Today, the favored option for disposal of high-level nuclear wastes is their burial in mined caverns. As an alternative, the concept of deep disposal by rock melting (DRM) also has received some attention. DRM entails the injection of waste, in a cavity or borehole, 2 to 3 kilometers down in the earth crust. Granitic rocks are the prime candidate medium. The high thermal loading initially will melt the rock surrounding the waste. Following resolidification, a rock/waste matrix is formed, which should provide isolation for many years. The complex thermal, mechanical, and hydraulic aspects of DRM can be studied best by means of numerical models. The models must accommodate the coupling of the physical processes involved, and the temperature dependency of the granite properties, some of which are subject to abrupt discontinuities, during α-β phase transition and melting. This paper outlines a strategy for such complex modeling

An aggregate method to calibrate the reference point of cumulative prospect theory-based route choice model for urban transit network

Science.gov (United States)

Zhang, Yufeng; Long, Man; Luo, Sida; Bao, Yu; Shen, Hanxia

2015-12-01

Transit route choice model is the key technology of public transit systems planning and management. Traditional route choice models are mostly based on expected utility theory which has an evident shortcoming that it cannot accurately portray travelers' subjective route choice behavior for their risk preferences are not taken into consideration. Cumulative prospect theory (CPT), a brand new theory, can be used to describe travelers' decision-making process under the condition of uncertainty of transit supply and risk preferences of multi-type travelers. The method to calibrate the reference point, a key parameter to CPT-based transit route choice model, determines the precision of the model to a great extent. In this paper, a new method is put forward to obtain the value of reference point which combines theoretical calculation and field investigation results. Comparing the proposed method with traditional method, it shows that the new method can promote the quality of CPT-based model by improving the accuracy in simulating travelers' route choice behaviors based on transit trip investigation from Nanjing City, China. The proposed method is of great significance to logical transit planning and management, and to some extent makes up the defect that obtaining the reference point is solely based on qualitative analysis.

Liquid structure and temperature invariance of sound velocity in supercooled Bi melt

International Nuclear Information System (INIS)

Emuna, M.; Mayo, M.; Makov, G.; Greenberg, Y.; Caspi, E. N.; Yahel, E.; Beuneu, B.

2014-01-01

Structural rearrangement of liquid Bi in the vicinity of the melting point has been proposed due to the unique temperature invariant sound velocity observed above the melting temperature, the low symmetry of Bi in the solid phase and the necessity of overheating to achieve supercooling. The existence of this structural rearrangement is examined by measurements on supercooled Bi. The sound velocity of liquid Bi was measured into the supercooled region to high accuracy and it was found to be invariant over a temperature range of ∼60°, from 35° above the melting point to ∼25° into the supercooled region. The structural origin of this phenomenon was explored by neutron diffraction structural measurements in the supercooled temperature range. These measurements indicate a continuous modification of the short range order in the melt. The structure of the liquid is analyzed within a quasi-crystalline model and is found to evolve continuously, similar to other known liquid pnictide systems. The results are discussed in the context of two competing hypotheses proposed to explain properties of liquid Bi near the melting: (i) liquid bismuth undergoes a structural rearrangement slightly above melting and (ii) liquid Bi exhibits a broad maximum in the sound velocity located incidentally at the melting temperature

Studies of pulsed laser melting and rapid solidification using amorphous silicon

International Nuclear Information System (INIS)

Lowndes, D.H.; Wood, R.F.

1984-06-01

Pulsed-laser melting of ion implantation-amorphized silicon layers, and subsequent solidification were studied. Measurements of the onset of melting of amorphous silicon layers and of the duration of melting, and modified melting model calculations demonstrated that the thermal conductivity, K/sub a/, of amorphous silicon is very low (K/sub a/ approx. = 0.02 W/cm-K). K/sub a/ is also the dominant parameter determining the dynamical response of amorphous silicon to pulsed laser radiation. TEM indicates that bulk (volume) nucleation occurs directly from the highly undercooled liquid silicon that can be prepared by pulsed laser melting of amorphous silicon layers at low laser energy densities. A modified thermal melting model is presented. The model calculations demonstrate that the release of latent heat by bulk nucleation occurring during the melt-in process is essential to obtaining agreement with observed depths of melting. These calculations also show that this release of latent heat accompanying bulk nucleation can result in the existence of buried molten layers of silicon in the interior of the sample after the surface has solidified. The bulk nucleation implies that the liquid-to-amorphous phase transition (produced using picosecond or uv nanosecond laser pulses) cannot be explained using purely thermodynamic considerations

Point, surface and volumetric heat sources in the thermal modelling of selective laser melting

Science.gov (United States)

Yang, Yabin; Ayas, Can

2017-10-01

Selective laser melting (SLM) is a powder based additive manufacturing technique suitable for producing high precision metal parts. However, distortions and residual stresses within products arise during SLM because of the high temperature gradients created by the laser heating. Residual stresses limit the load resistance of the product and may even lead to fracture during the built process. It is therefore of paramount importance to predict the level of part distortion and residual stress as a function of SLM process parameters which requires a reliable thermal modelling of the SLM process. Consequently, a key question arises which is how to describe the laser source appropriately. Reasonable simplification of the laser representation is crucial for the computational efficiency of the thermal model of the SLM process. In this paper, first a semi-analytical thermal modelling approach is described. Subsequently, the laser heating is modelled using point, surface and volumetric sources, in order to compare the influence of different laser source geometries on the thermal history prediction of the thermal model. The present work provides guidelines on appropriate representation of the laser source in the thermal modelling of the SLM process.

Evaluation of errors in determination of DNA melting curve registered with differential scanning calorimetry

International Nuclear Information System (INIS)

Lando, D.Y.; Fridman, A.S.; Galyuk, E.N.; Dalyan, Y.B.; Grigoryan, I.E.; Haroutiunian, S.G.

2013-01-01

The differential scanning calorimetry (DSC) is more sensitive than UV absorption spectrophotometry as a tool for the measurement of DNA melting curves. The advantage of DSC is a direct determination of differential melting curves (DMC) obtained without numerical differentiation. However, the difference between the helix-coil transition enthalpies of AT and GC base pairs can cause distortions in the shape of melting curve. Up to date, the errors caused by those distortions were not evaluated. In this study, a simple procedure of recalculation of a calorimetric DMC into a real DMC is developed. It demonstrates that the 'real' melting curve and differential melting curve deviate very slightly from the same two curves calculated from DSC data. The melting temperature and the temperature melting range are usually the same even if the difference in the enthalpies is several times higher than a real one

The effects of heat generation and wall interaction on freezing and melting in a finite slab

International Nuclear Information System (INIS)

Cheung, F.B.; Chawla, T.C.; Pedersen, D.R.

1984-01-01

The processes of freezing and melting occurring in a heat-generating slab bounded by two semi-infinite cold walls is studied numerically. The method of collocation is employed to solve the various sets of governing equations describing the unsteady behavior of the system during different periods of time. Depending on the rate of internal heat generation and the thermal properties of the wall and the slab, several changes may take place in the system. These changes, as indicated by the transient locations of the solid-liquid interface, include transitions from freezing directly to melting, from freezing to cooling with phase change, from cooling to heating without phase change, and from heating to melting. Numerical predictions of the occurrence of these transitions, the rates of freezing and melting, and the duration of the transients are obtained as functions of several controlling dimensionless parameters of the system. Comparison is made with the case of a heat-generating sphere to further explore the effect of system geometry. (author)

Glass forming ability of calcium aluminosilicate melts

DEFF Research Database (Denmark)

Moesgaard, Mette; Yue, Yuanzheng

2011-01-01

The glass forming ability (GFA) of two series of calcium aluminosilicate melts is studied by measuring their viscous behavior and crystallization tendency. The first series consists of five compositions on the joining line between the eutectic point of anorthite-wollastonite-tridymite and that of......The glass forming ability (GFA) of two series of calcium aluminosilicate melts is studied by measuring their viscous behavior and crystallization tendency. The first series consists of five compositions on the joining line between the eutectic point of anorthite......-wollastonite-tridymite and that of anorthite-wollastonite-gehlenite. The series includes the eutectic compositions as end members. The second series consists of five compositions on a line parallel to the joining line on the alumina rich side. In the present work, GFA is described in terms of glass stability, i.e., the ability of a glass...... to resist crystallization during reheating. In addition, the fragility index (m) is derived by fitting the viscosity data with the Avramov-Milchev equation. The results show that m is inversely proportional to the glass stability for the two series of melts, implying that m is an indirect measure of GFA...

Thermophysical and Optical Properties of Semiconducting Ga2Te3 Melt

Science.gov (United States)

Li, Chao; Su, Ching-Hua; Lehoczky, Sandor L.; Scripa, Rosalie N.; Ban, Heng

2005-01-01

The majority of bulk semiconductor single crystals are presently grown from their melts. The thermophysical and optical properties of the melts provide a fundamental understanding of the melt structure and can be used to optimize the growth conditions to obtain higher quality crystals. In this paper, we report several thermophysical and optical properties for Ga2Te3 melts, such as electrical conductivity, viscosity, and optical transmission for temperatures ranging from the melting point up to approximately 990 C. The conductivity and viscosity of the melts are determined using the transient torque technique. The optical transmission of the melts is measured between the wavelengths of 300 and 2000 nm by an dual beam reversed-optics spectrophotometer. The measured properties are in good agreement with the published data. The conductivities indicate that the Ga2Te3 melt is semiconductor-like. The anomalous behavior in the measured properties are used as an indication of a structural transformation in the Ga2Te3 melt and discussed in terms of Eyring's and Bachinskii's predicted behaviors for homogeneous melts.

Stress relaxation of bi-disperse polystyrene melts

DEFF Research Database (Denmark)

Hengeller, Ludovica; Huang, Qian; Dorokhin, Andriy

2016-01-01

We present start-up of uniaxial extension followed by stress relaxation experiments of a bi-disperse 50 % by weight blend of 95k and 545k molecular weight polystyrene. We also show, for comparison, stress relaxation measurements of the polystyrene melts with molecular weight 95k and 545k, which...... are the components of the bi-disperse melt. The measurements show three separated relaxation regimes: a fast regime, a transition regime, and a slow regime. In the fast regime, the orientation of the long chains is frozen and the stress relaxation is due to stretch relaxation of the short chains primarily....... Conversely in the slow regime, the long chains have retracted and undergo relaxation of orientation in fully relaxed short chains....

Development of high melting point, environmentally friendly solders, using the calphad approach

DEFF Research Database (Denmark)

Chidambaram, Vivek; Hald, John; Hattel, Jesper Henri

2008-01-01

An attempt has been made using the CALPHAD approach via Thermo-Calc to explore the various possible chemical compositions that adhere to the melting criterion i.e. 270-350 degrees C, required to replace the traditionally used high lead content solders for first level packaging applications. Vario...... tension have also been considered. Special focus has been given to toxicity related issues since the main ideology of looking for an alternative to high lead containing solders is not related to technical issues but due to environmental concerns.......An attempt has been made using the CALPHAD approach via Thermo-Calc to explore the various possible chemical compositions that adhere to the melting criterion i.e. 270-350 degrees C, required to replace the traditionally used high lead content solders for first level packaging applications. Various...... of promising solder alloy candidates. The ternary combinations that satisfied the primary solidification requirement were scrutinized taking into account the commercial interests i.e. availability, cost-effectiveness, recyclability and toxicity issues. Technical issues like manufacturability and surface...

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)

Controlled Growth of Rubrene Nanowires by Eutectic Melt Crystallization

Science.gov (United States)

Chung, Jeyon; Hyon, Jinho; Park, Kyung-Sun; Cho, Boram; Baek, Jangmi; Kim, Jueun; Lee, Sang Uck; Sung, Myung Mo; Kang, Youngjong

2016-03-01

Organic semiconductors including rubrene, Alq3, copper phthalocyanine and pentacene are crystallized by the eutectic melt crystallization. Those organic semiconductors form good eutectic systems with the various volatile crystallizable additives such as benzoic acid, salicylic acid, naphthalene and 1,3,5-trichlorobenzene. Due to the formation of the eutectic system, organic semiconductors having originally high melting point (Tm > 300 °C) are melted and crystallized at low temperature (Te = 40.8-133 °C). The volatile crystallizable additives are easily removed by sublimation. For a model system using rubrene, single crystalline rubrene nanowires are prepared by the eutectic melt crystallization and the eutectic-melt-assisted nanoimpinting (EMAN) technique. It is demonstrated that crystal structure and the growth direction of rubrene can be controlled by using different volatile crystallizable additives. The field effect mobility of rubrene nanowires prepared using several different crystallizable additives are measured and compared.

Quantifying DNA melting transitions using single-molecule force spectroscopy

International Nuclear Information System (INIS)

Calderon, Christopher P; Chen, W-H; Harris, Nolan C; Kiang, C-H; Lin, K-J

2009-01-01

We stretched a DNA molecule using an atomic force microscope (AFM) and quantified the mechanical properties associated with B and S forms of double-stranded DNA (dsDNA), molten DNA, and single-stranded DNA. We also fit overdamped diffusion models to the AFM time series and used these models to extract additional kinetic information about the system. Our analysis provides additional evidence supporting the view that S-DNA is a stable intermediate encountered during dsDNA melting by mechanical force. In addition, we demonstrated that the estimated diffusion models can detect dynamical signatures of conformational degrees of freedom not directly observed in experiments.

Quantifying DNA melting transitions using single-molecule force spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Calderon, Christopher P [Department of Computational and Applied Mathematics, Rice University, Houston, TX (United States); Chen, W-H; Harris, Nolan C; Kiang, C-H [Department of Physics and Astronomy, Rice University, Houston, TX (United States); Lin, K-J [Department of Chemistry, National Chung Hsing University, Taichung, Taiwan (China)], E-mail: chkiang@rice.edu

2009-01-21

We stretched a DNA molecule using an atomic force microscope (AFM) and quantified the mechanical properties associated with B and S forms of double-stranded DNA (dsDNA), molten DNA, and single-stranded DNA. We also fit overdamped diffusion models to the AFM time series and used these models to extract additional kinetic information about the system. Our analysis provides additional evidence supporting the view that S-DNA is a stable intermediate encountered during dsDNA melting by mechanical force. In addition, we demonstrated that the estimated diffusion models can detect dynamical signatures of conformational degrees of freedom not directly observed in experiments.

Viscosity and volume properties of the Al-Cu melts

Directory of Open Access Journals (Sweden)

Kurochkin A.

2011-05-01

Full Text Available Temperature dependences of the kinematic viscosity v and the density ρ of Al-Cu melts were investigated in the same regime taking into account that viscometric experiments with the melts enriched with cupper have not been repeated since 1960th and densimetric measurements did not perform before at all. The first measurements were fulfilled using the method of dumping oscillation of a crucible filled in by a melt investigated. Its precision was as high as 1.5%. Density was measured using the gamma-absorption method with the accuracy of 0.2 to 0.3%. Crucibles of BeO were used in both the cases. In the course of the measurements a distinct branching of the heating and cooling curves were fixed below some temperature characteristic of each composition for most of the investigated samples. The branching temperature systematically changes with growth of cupper content. The authors believe that the effect is caused by the irreversible transition of the melts from microheterogeneous state inherited from the initial rough materials into a true solution state.

Phase transition control, melt growth of (Gd,RE)F{sub 3} single crystal and their luminescent properties

Energy Technology Data Exchange (ETDEWEB)

Yoshikawa, Akira, E-mail: yosikawa@tagen.tohoku.ac.j [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); New Industry Creation Hatchery Center (NICHe), Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Jouini, Anis [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); BerlinSolar GmbH, Magnusstrasse 11, D-12489 Berlin (Germany); Kamada, Kei [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Boulon, Georges [Physical Chemistry of Luminescent Materials, Claude Bernard/Lyon 1 University, UMR 5620 CNRS, Villeurbanne (France); Nikl, Martin [Institute of Physics AS CR, Cukrovarnicka 10, Prague 16253 (Czech Republic); Saito, Fumio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

2009-12-15

Rare-earth sesquifluorides with no absorption in visible spectral region, such as LaF{sub 3}, GdF{sub 3}, LuF{sub 3}, YF{sub 3}, ScF{sub 3}, are the topic of intense study as a host for luminescence materials. However, except Nd:LaF{sub 3}, they are not studied as a host for laser materials. The main obstacle troubling further study of GdF{sub 3}, LuF{sub 3}, YF{sub 3}, ScF{sub 3} single crystal is the fact that there is first-order phase transition (LaF{sub 3} type{leftrightarrow}{beta}-YF{sub 3} type for GdF{sub 3}, {alpha}-YF{sub 3} type{leftrightarrow}{beta}-YF{sub 3} type for the rest) between the room and melting temperature.To prevent the phase transition, first of all, we have tried to make solid solution between GdF{sub 3} and YF{sub 3} in such a way that the average cation radii can be shifted to the size that does not have phase transition. Ce{sup 3+} perturbed luminescence was observed in the Ce- and Sr-codoped GdF{sub 3}-YF{sub 3} system. Similar solid solution concept was applied to the combination between GdF{sub 3} and YbF{sub 3}. The emission spectrum of Yb{sup 3+} that exhibits broad bands around 1 {mu}m was observed. Room temperature up-conversion luminescence spectra of Pr{sup 3+}-doped Gd{sub 1-x}Yb{sub x}F{sub 3} were studied and visible emission from Pr{sup 3+} was obtained under infrared laser pumping in the Yb{sup 3+} broad absorption band at 935.5 nm.

Melt Adsorption as a Manufacturing Method for Fine Particles of Wax Matrices without Any Agglomerates.

Science.gov (United States)

Shiino, Kai; Fujinami, Yukari; Kimura, Shin-Ichiro; Iwao, Yasunori; Noguchi, Shuji; Itai, Shigeru

2017-01-01

We have focused on melt adsorption as manufacture method of wax matrices to control particles size of granules more easily than melt granulation. The purpose of present study was to investigate the possibility of identifying a hydrophobic material with a low melting point, currently used as a meltable binder of melt granulation, to apply as a novel carrier in melt adsorption. Glyceryl monostearate (GM) and stearic acid (SA) were selected as candidate hydrophobic materials with low melting points. Neusilin US2 (US2), with a particle diameter of around 100 µm was selected as a surface adsorbent, while dibasic calcium phosphate dihydrate (DCPD), was used as a non-adsorbent control to prepare melting granules as a standard for comparison. We prepared granules containing ibuprofen (IBU) by melt adsorption or melt granulation and evaluated the particle size, physical properties and crystallinity of granules. Compared with melt granulation using DCPD, melt adsorption can be performed over a wide range of 14 to 70% for the ratio of molten components. Moreover, the particle size; d50 of obtained granules was 100-200 µm, and these physical properties showed good flowability and roundness. The process of melt adsorption did not affect the crystalline form of IBU. Therefore, the present study has demonstrated for the first time that melt adsorption using a hydrophobic material, GM or SA, has the potential capability to control the particle size of granules and offers the possibility of application as a novel controlled release technique.

Universal Properties of Many-Body Delocalization Transitions

Directory of Open Access Journals (Sweden)

Andrew C. Potter

2015-09-01

Full Text Available We study the dynamical melting of “hot” one-dimensional many-body localized systems. As disorder is weakened below a critical value, these nonthermal quantum glasses melt via a continuous dynamical phase transition into classical thermal liquids. By accounting for collective resonant tunneling processes, we derive and numerically solve an effective model for such quantum-to-classical transitions and compute their universal critical properties. Notably, the classical thermal liquid exhibits a broad regime of anomalously slow subdiffusive equilibration dynamics and energy transport. The subdiffusive regime is characterized by a continuously evolving dynamical critical exponent that diverges with a universal power at the transition. Our approach elucidates the universal long-distance, low-energy scaling structure of many-body delocalization transitions in one dimension, in a way that is transparently connected to the underlying microscopic physics. We discuss experimentally testable signatures of the predicted scaling properties.

Is the 10-point agenda of the Federal Government useful for a successful energy transition?

International Nuclear Information System (INIS)

Dinther, Clemens van; Renelt, Sven; Strueker, Jens; Terzidis, Orestis; Bretschneider, Peter

2017-01-01

With the energy transition, the Federal Government has begun the conversion of the energy supply. Because of the success of the energy transition is essential for the future and competitiveness of Germany as a business location The Federal Association of German Industry (BDI) has already published 2013 Stimulus for a smart energy market, in which are derived five principles which provide a framework for discourse on the measures to be taken. Renewable energies will be the dominant source of electricity in the coming years. This results in new challenges. The Federal Ministry of Economics and Technology (BMWi) has recently adopted a 10-point agenda to address these issues (ZPA) for the central energy projects. To be discussed is to what extent they are in harmony with the five principles of the BDI and at which points adjustments are necessary, so that the conversion of the energy system can succeed. [de

Melting of Pb clusters encapsulated in large fullerenes

International Nuclear Information System (INIS)

Delogu, Francesco

2011-01-01

Graphical abstract: Encapsulation significantly increases the melting point of nanometer-sized Pb particles with respect to the corresponding unsupported ones. Highlights: → Nanometer-sized Pb particles are encapsulated in fullerene cages. → Their thermal behavior is studied by molecular dynamics simulations. → Encapsulated particles undergo a pressure rise as temperature increases. → Encapsulated particles melt at temperatures higher than unsupported ones. - Abstract: Molecular dynamics simulations have been employed to explore the melting behavior of nanometer-sized Pb particles encapsulated in spherical and polyhedral fullerene cages of suitable size. The encapsulated particles, as well as the corresponding unsupported ones for comparison, were submitted to a gradual temperature rise. Encapsulation is shown to severely affect the thermodynamic behavior of Pb particles due to the different thermal expansion coefficients of particles and cages. This determines a volume constraint that induces a rise of pressure inside the fullerene cages, which operate for particles as rigid confinement systems. The result is that surface pre-melting and melting processes occur in encapsulated particles at temperatures higher than in unsupported ones.

Using Paraffin with -10 deg C to 10 deg C Melting Point for Payload Thermal Energy Storage in SpaceX Dragon Trunk

Science.gov (United States)

Choi, Michael K.

2013-01-01

A concept of using paraffin wax phase change material (PCM) with a melting point between -10 deg C and 10 deg C for payload thermal energy storage in a Space Exploration Technologies (SpaceX) Dragon trunk is presented. It overcomes the problem of limited heater power available to a payload with significant radiators when the Dragon is berthed to the International Space Station (ISS). It stores adequate thermal energy to keep a payload warm without power for 6 hours during the transfer from the Dragon to an ExPRESS logistics carrier (ELC) on the ISS.

Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction

Directory of Open Access Journals (Sweden)

Nigsch Florian

2008-10-01

Full Text Available Abstract Background We present a novel feature selection algorithm, Winnowing Artificial Ant Colony (WAAC, that performs simultaneous feature selection and model parameter optimisation for the development of predictive quantitative structure-property relationship (QSPR models. The WAAC algorithm is an extension of the modified ant colony algorithm of Shen et al. (J Chem Inf Model 2005, 45: 1024–1029. We test the ability of the algorithm to develop a predictive partial least squares model for the Karthikeyan dataset (J Chem Inf Model 2005, 45: 581–590 of melting point values. We also test its ability to perform feature selection on a support vector machine model for the same dataset. Results Starting from an initial set of 203 descriptors, the WAAC algorithm selected a PLS model with 68 descriptors which has an RMSE on an external test set of 46.6°C and R2 of 0.51. The number of components chosen for the model was 49, which was close to optimal for this feature selection. The selected SVM model has 28 descriptors (cost of 5, ε of 0.21 and an RMSE of 45.1°C and R2 of 0.54. This model outperforms a kNN model (RMSE of 48.3°C, R2 of 0.47 for the same data and has similar performance to a Random Forest model (RMSE of 44.5°C, R2 of 0.55. However it is much less prone to bias at the extremes of the range of melting points as shown by the slope of the line through the residuals: -0.43 for WAAC/SVM, -0.53 for Random Forest. Conclusion With a careful choice of objective function, the WAAC algorithm can be used to optimise machine learning and regression models that suffer from overfitting. Where model parameters also need to be tuned, as is the case with support vector machine and partial least squares models, it can optimise these simultaneously. The moving probabilities used by the algorithm are easily interpreted in terms of the best and current models of the ants, and the winnowing procedure promotes the removal of irrelevant descriptors.

Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction.

Science.gov (United States)

O'Boyle, Noel M; Palmer, David S; Nigsch, Florian; Mitchell, John Bo

2008-10-29

We present a novel feature selection algorithm, Winnowing Artificial Ant Colony (WAAC), that performs simultaneous feature selection and model parameter optimisation for the development of predictive quantitative structure-property relationship (QSPR) models. The WAAC algorithm is an extension of the modified ant colony algorithm of Shen et al. (J Chem Inf Model 2005, 45: 1024-1029). We test the ability of the algorithm to develop a predictive partial least squares model for the Karthikeyan dataset (J Chem Inf Model 2005, 45: 581-590) of melting point values. We also test its ability to perform feature selection on a support vector machine model for the same dataset. Starting from an initial set of 203 descriptors, the WAAC algorithm selected a PLS model with 68 descriptors which has an RMSE on an external test set of 46.6 degrees C and R2 of 0.51. The number of components chosen for the model was 49, which was close to optimal for this feature selection. The selected SVM model has 28 descriptors (cost of 5, epsilon of 0.21) and an RMSE of 45.1 degrees C and R2 of 0.54. This model outperforms a kNN model (RMSE of 48.3 degrees C, R2 of 0.47) for the same data and has similar performance to a Random Forest model (RMSE of 44.5 degrees C, R2 of 0.55). However it is much less prone to bias at the extremes of the range of melting points as shown by the slope of the line through the residuals: -0.43 for WAAC/SVM, -0.53 for Random Forest. With a careful choice of objective function, the WAAC algorithm can be used to optimise machine learning and regression models that suffer from overfitting. Where model parameters also need to be tuned, as is the case with support vector machine and partial least squares models, it can optimise these simultaneously. The moving probabilities used by the algorithm are easily interpreted in terms of the best and current models of the ants, and the winnowing procedure promotes the removal of irrelevant descriptors.

Emerging melt quality control solution technologies for aluminium melt

Directory of Open Access Journals (Sweden)

Arturo Pascual, Jr

2009-11-01

Full Text Available The newly developed “MTS 1500” Melt Treatment System is performing the specifi cally required melt treatment operations like degassing, cleaning, modification and/or grain refinement by an automated process in one step and at the same location. This linked process is saving time, energy and metal losses allowing - by automated dosage of the melt treatment agents - the production of a consistent melt quality batch after batch. By linking the MTS Metal Treatment System with sensors operating on-line in the melt, i.e., with a hydrogen sensor “Alspek H”, a fully automated control of parts of the process chain like degassing is possible. This technology does guarantee a pre-specifi ed and documented melt quality in each melt treatment batch. Furthermore, to ensure that castings are consistent and predictable there is a growing realization that critical parameters such as metal cleanliness must be measured prior to casting. There exists accepted methods for measuring the cleanliness of an aluminum melt but these can be both slow and costly. A simple, rapid and meaningful method of measuring and bench marking the cleanliness of an aluminum melt has been developed to offer the foundry a practical method of measuring melt cleanliness. This paper shows the structure and performance of the integrated MTS melt treatment process and documents achieved melt quality standards after degassing, cleaning, modifi cation and grain refi nement operations under real foundry conditions. It also provides an insight on a melt cleanliness measuring device “Alspek MQ” to provide foundry men better tools in meeting the increasing quality and tighter specifi cation demand from the industry.

Behavior of nuclides at plasma melting of TRU wastes

International Nuclear Information System (INIS)

Amakawa, Tadashi; Adachi, Kazuo

2001-01-01

Arc plasma heating technique can easily be formed at super high temperature, and can carry out stable heating without any effect of physical and chemical properties of the wastes. By focussing to these characteristics, this technique was experimentally investigated on behavior of TRU nuclides when applying TRU wastes forming from reprocessing process of used fuels to melting treatment by using a mimic non-radioactive nuclide. At first, according to mechanism determining the behavior of TRU nuclides, an element (mimic nuclide) to estimate the behavior was selected. And then, to zircaloy with high melting point or steel can simulated to metal and noncombustible wastes and fly ash, the mimic nuclide was added, prior to melting by using the arc plasma heating technique. As a result, on a case of either melting sample, it was elucidated that the nuclides hardly moved into their dusts. Then, the technique seems to be applicable for melting treatment of the TRU wastes. (G.K.)

Compositions of melts for growth of functional single crystals of complex oxides and other compounds

Science.gov (United States)

Soboleva, L. V.

2008-12-01

The melt compositions ( M c) are calculated for growing crystals with valuable physical properties. The calculation is based on the compositions of the invariant points of the liquidus curves for 33 congruently and 12 incongruently melting solid phases of 42 fusibility diagrams of binary systems. These systems include Na, Ca, Ba, Mg, and Y aluminates; Bi and Pb germanates; Li, K, Ba, and Bi borates; Ba, Fe, Sr, and Bi titanates; Li, K, Cs, Ba, Zn, Ca niobates; Li, Pb, and Gd molibdates; Pb and Nd tungstates; etc. More than 60 studies with data on the experimentally found melt compositions ( M e) for growing the noted crystals are analyzed. It is shown that the melt compositions M c and M e for growth of congruently and incongruently melting crystals are similar. Large-size stoichiometric crystals of high optical quality are grown using these melt compositions. Nonstoichiometric crystals of low structural quality are grown from melt compositions either corresponding to the stoichiometric ratio of the components ( M s) or similar to the compositions at invariant points ( M i). In these cases, a large difference is observed between the melt compositions M c, M s, and M e.

Morphological Transition in the Cellular Structure of Single Crystals of Nickel-Tungsten Alloys near the Congruent Melting Point

International Nuclear Information System (INIS)

Azhazha, V.M.; Ladygin, A.N.; Sverdlov, V.Ja.; Zhemanyuk, P.D.; Klochikhin, V.V.

2005-01-01

The structure and microhardness of single crystals of nickel-tungsten alloys containing 25-36 wt % W are investigated. The temperature gradient at the crystallization front and the velocity of the crystallization front are the variable parameters of directional crystallization. It is found that, when the velocity of the crystallization front is 4 mm/min, the morphology of the cellular structure of the single crystals grown from nickel-tungsten alloys changes from square cells to hexagonal cells at a tungsten content of greater than or equal to 31 wt %. As the velocity of the crystallization front increases to 10 mm/min, no morphological transition occurs. It is shown that impurities play an important role in the formation of a cellular structure with cells of different types

Improving the understanding of the melting behaviour of Mo, Ta, and W at extreme pressures

International Nuclear Information System (INIS)

Errandonea, Daniel

2005-01-01

We discuss the existing conflicts between experimentally measured and theoretically calculated melting curves of Mo, Ta, and W. By assuming that vacancy formation plays a fundamental role in the melting process, an explanation for the measured melting curves is provided. Furthermore, we show that the Lindemann law fits well all the measured melting curves of BCC transition metals if the Grueneisen parameter is written as a power series of the interatomic distance. For completeness, we examine possible reasons for current disagreements between shock-wave and DAC experiments. To solve them, we propose the existence of an extra high P-T phase for Mo, Ta, and W

Comparing two tetraalkylammonium ionic liquids. II. Phase transitions

Energy Technology Data Exchange (ETDEWEB)

Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C., E-mail: mccribei@iq.usp.br [Laboratório de Espectroscopia Molecular, Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, CP 26077, CEP 05513-970 São Paulo, SP (Brazil); Ferreira, Fabio F.; Costa, Fanny N. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, SP (Brazil); Giles, Carlos [Depto. de Física da Matéria Condensada, Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, 13083-859 Campinas, SP (Brazil)

2016-06-14

Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1114}][NTf{sub 2}], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1444}][NTf{sub 2}], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N{sub 1444}][NTf{sub 2}] experiences glass transition at low temperature, whereas [N{sub 1114}][NTf{sub 2}] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picture of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.

Glacier Melt Detection in Complex Terrain Using New AMSR-E Calibrated Enhanced Daily EASE-Grid 2.0 Brightness Temperature (CETB) Earth System Data Record

Science.gov (United States)

Ramage, J. M.; Brodzik, M. J.; Hardman, M.

2016-12-01

Passive microwave (PM) 18 GHz and 36 GHz horizontally- and vertically-polarized brightness temperatures (Tb) channels from the Advanced Microwave Scanning Radiometer for EOS (AMSR-E) have been important sources of information about snow melt status in glacial environments, particularly at high latitudes. PM data are sensitive to the changes in near-surface liquid water that accompany melt onset, melt intensification, and refreezing. Overpasses are frequent enough that in most areas multiple (2-8) observations per day are possible, yielding the potential for determining the dynamic state of the snow pack during transition seasons. AMSR-E Tb data have been used effectively to determine melt onset and melt intensification using daily Tb and diurnal amplitude variation (DAV) thresholds. Due to mixed pixels in historically coarse spatial resolution Tb data, melt analysis has been impractical in ice-marginal zones where pixels may be only fractionally snow/ice covered, and in areas where the glacier is near large bodies of water: even small regions of open water in a pixel severely impact the microwave signal. We use the new enhanced-resolution Calibrated Passive Microwave Daily EASE-Grid 2.0 Brightness Temperature (CETB) Earth System Data Record product's twice daily obserations to test and update existing snow melt algorithms by determining appropriate melt thresholds for both Tb and DAV for the CETB 18 and 36 GHz channels. We use the enhanced resolution data to evaluate melt characteristics along glacier margins and melt transition zones during the melt seasons in locations spanning a wide range of melt scenarios, including the Patagonian Andes, the Alaskan Coast Range, and the Russian High Arctic icecaps. We quantify how improvement of spatial resolution from the original 12.5 - 25 km-scale pixels to the enhanced resolution of 3.125 - 6.25 km improves the ability to evaluate melt timing across boundaries and transition zones in diverse glacial environments.

Signals for the QCD phase transition and critical point in a Langevin dynamical model

International Nuclear Information System (INIS)

Herold, Christoph; Bleicher, Marcus; Yan, Yu-Peng

2013-01-01

The search for the critical point is one of the central issues that will be investigated in the upcoming FAIR project. For a profound theoretical understanding of the expected signals we go beyond thermodynamic studies and present a fully dynamical model for the chiral and deconfinement phase transition in heavy ion collisions. The corresponding order parameters are propagated by Langevin equations of motions on a thermal background provided by a fluid dynamically expanding plasma of quarks. By that we are able to describe nonequilibrium effects occurring during the rapid expansion of a hot fireball. For an evolution through the phase transition the formation of a supercooled phase and its subsequent decay crucially influence the trajectories in the phase diagram and lead to a significant reheating of the quark medium at highest baryon densities. Furthermore, we find inhomogeneous structures with high density domains along the first order transition line within single events.

Point-contact spectroscopy of unsaturates oxides of transition metals and the problem of zero anomalies

International Nuclear Information System (INIS)

Tulina, N.A.

1985-01-01

A study was made of point-contact spectra of oxides WO 2 , ReO 3 , MoO 2 with metallic conductivity. It is shown that zero anomalies often observed in transition metal spectra are due to a higher-type oxide interlayer in the vicinity of a point contact. There are no zero anomalies in the point-contact spectra of heterocontacts Zn-MoO 2 (broken crystal) obtained directly in a helium cryostal. When studying such heterocontacts, major maxima of electron- phonon interaction in MoO 2 were determined on the energy scale hω sub(TA) approximately 28 MeV, hω sub(LA) approximately 41 MeV

Thermal property prediction and measurement of organic phase change materials in the liquid phase near the melting point

International Nuclear Information System (INIS)

O’Connor, William E.; Warzoha, Ronald; Weigand, Rebecca; Fleischer, Amy S.; Wemhoff, Aaron P.

2014-01-01

Highlights: • Liquid-phase thermal properties for five phase change materials were estimated. • Various liquid phase and phase transition thermal properties were measured. • The thermal diffusivity was found using a best path to prediction approach. • The thermal diffusivity predictive method shows 15% agreement for organic PCMs. - Abstract: Organic phase change materials (PCMs) are a popular choice for many thermal energy storage applications including solar energy, building envelope thermal barriers, and passive cooling of portable electronics. Since the extent of phase change during a heating or cooling process is dependent upon rapid thermal penetration into the PCM, accurate knowledge of the thermal diffusivity of the PCM in both solid and liquid phases is crucial. This study addresses the existing gaps in information for liquid-phase PCM properties by examining an approach that determines the best path to prediction (BPP) for the thermal diffusivity of both alkanes and unsaturated acids. Knowledge of the BPP will enable researchers to explore the influence of PCM molecular structure on bulk thermophysical properties, thereby allowing the fabrication of optimized PCMs. The BPP method determines which of the tens of thousands of combinations of 22 different available theoretical techniques provides best agreement with thermal diffusivity values based on reported or measured density, heat capacity, and thermal conductivity for each of five PCMs (heneicosane, tricosane, tetracosane, oleic acid, and linoleic acid) in the liquid phase near the melting point. Separate BPPs were calibrated for alkanes based on heneicosane and tetracosane, and for the unsaturated acids. The alkane and unsaturated acid BPPs were then tested on a variety of similar materials, showing agreement with reported/measured thermal diffusivity within ∼15% for all materials. The alkane BPP was then applied to find that increasing the length of alkane chains decreases the PCM thermal

Behavior of specific heat and self diffusion coefficient of sodium near transition temperature: a molecular dynamics study

International Nuclear Information System (INIS)

Ahmed, N.; Khan, G.

1990-09-01

In this report the author used of a very useful technique of simulation and applied it to successfully for determining the various properties of sodium, both in liquid and solid phase near transition point. As a first step the determination of specific heat and diffusion coefficient have been carried out. In liquid state the molecular dynamics (MD) values calculated matched the experimental data. But in solid state the diffusion coefficient obtained were not consistent with the one expected for a solid, rather the values obtained suggested that sodium remained in liquid state even below the melting point. (A.B.)

Multiscale radar mapping of surface melt over mountain glaciers in High Mountain Asia

Science.gov (United States)

Steiner, N.; McDonald, K. C.

2017-12-01

Glacier melt dominates input for many hydrologic systems in the Himalayan Hindukush region that feed rivers that are critical for downstream ecosystems and hydropower generation in this highly populated area. Deviation in seasonal surface melt timing and duration with a changing climate has the potential to affect up to a billion people on the Indian Subcontinent. Satellite-borne microwave remote sensing has unique capabilities that allow monitoring of numerous landscape processes associated with snowmelt and freeze/thaw state, without many of the limitations in optical-infrared sensors such as solar illumination or atmospheric conditions. The onset of regional freeze/thaw and surface melting transitions determine important surface hydrologic variables like river discharge. Theses regional events are abrupt therefore difficult to observe with low-frequency observation sensors. Recently launched synthetic aperture radar (SAR) onboard the Sentinel-1 A and B satellites from the European Space Agency (ESA) provide wide-swath and high spatial resolution (50-100 m) C-Band SAR observations with observations frequencies not previously available, on the order of 8 to 16 days. The Sentinel SARs provide unique opportunity to study freeze/thaw and mountain glacier melt dynamics at process level scales, spatial and temporal. The melt process of individual glaciers, being fully resolved by imaging radar, will inform on the radiometric scattering physics associated with surface hydrology during the transition from melted to thawed state and during refreeze. Backscatter observations, along with structural information about the surface will be compared with complimentary coarse spatial resolution C-Band radar scatterometers, Advanced Scatterometer (ASCAT Met Op A+B), to understand the sub-pixel contribution of surface melting and freeze/thaw signals. This information will inform on longer-scale records of backscatter from ASCAT, 2006-2017. We present a comparison of polarimetric C

Structure and dynamics of molecular clusters. 2. Melting and freezing of CCl4 clusters

International Nuclear Information System (INIS)

Bartell, L.S.; Chen, Jian

1992-01-01

Phase transitions of a 225-molecule cluster of carbon tetrachloride have been studied by a molecular dynamics simulation. A five-site model potential function was developed to reproduce the density and heat of vaporization of the bulk liquid. Computations began with orientationally disordered molecules distributed in fcc lattice sites of a nearly spherical cluster. The cluster was heated from a low temperature to 200 K in 10-deg steps of 50 ps each and then cooled to 10 K. Translational and rotational transitions were monitored by following several indicators including the translational and rotational diffusion and rotational entropies of individual molecules. Melting began at the surface and propagated inward as the temperature increased. Solidification of the molten cluster proceeded from the center to the surface. At the high cooling rate of the simulation, however, molecules were unable to organize into a crystalline array and solidified into a glassy structure instead. Except for spatial order, the indicators of degree of liquefaction exhibited almost the same temperature dependence in the crystsl → liquid as in the liquid → glass transition, a behavior that could be rationalized on the basis of Lindemann's theory of melting. Results were compared with predictions of an illustrative model due to Reiss, Mirabel, and Whetten. Qualitatively, the model included all of the features of the simulation. Quantitatively, the model grossly underestimated the range over which the melting transition took place. 40 refs., 10 figs., 1 tab

A unified description of crystalline-to-amorphous transitions

Energy Technology Data Exchange (ETDEWEB)

Lam, N.Q.; Okamoto, P.R. [Argonne National Lab., IL (United States); Devanathan, R. [Argonne National Lab., IL (United States)]|[Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Meshii, M. [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering

1993-07-01

Amorphous metallic alloys can now be synthesized by a variety of solid-state processes demonstrating the need for a more general approach to crystalline-to-amorphous (c-a) transitions. By focusing on static atomic displacements as a measure of chemical and topological disorder, we show that a unified description of c-a transformations can be based on a generalization of the phenomenological melting criterion proposed by Lindemann. The generalized version assumes that melting of a defective crystal occurs whenever the sum of thermal and static mean-square displacements exceeds a critical value identical to that for melting of the defect-free crystal. This implies that chemical or topological disorder measured by static displacements is thermodynamically equivalent to heating, and therefore that the melting temperature of the defective crystal will decrease with increasing amount of disorder. This in turn implies the existence of a critical state of disorder where the melting temperature becomes equal to a glass-transition temperature below which the metastable crystal melts to a glass. The generalized Lindemann melting criterion leads naturally to an interpretation of c-a transformations as defect-induced, low-temperature melting of critically disordered crystals. Confirmation of this criterion is provided by molecular-dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds caused either by the production of Frenkel pairs or anti-site defects. The thermodynamic equivalence between static atomic disorder and heating is reflected in the identical softening effects which they have on elastic properties and also in the diffraction analysis of diffuse scattering from disordered crystals, where the effect of static displacements appears as an artificially-enlarged thermal Debye-Waller factor. Predictions of this new, unified approach to melting and amorphization are compared with available experimental information.

How mechanical behavior of glassy polymers enables us to characterize melt deformation: elastic yielding in glassy state after melt stretching?

Science.gov (United States)

Wang, Shi-Qing; Zhao, Zhichen; Tsige, Mesfin; Zheng, Yexin

Fast melt deformation well above the glass transition temperature Tg is known to produce elastic stress in an entangled polymer due to the chain entropy loss at the length scale of the network mesh size. Here chains of high molecular weight are assumed to form an entanglement network so that such a polymer behaves transiently like vulcanized rubber capable of affine deformation. We consider quenching a melt-deformed glassy polymer to well below Tg to preserve the elastic stress. Upon heating such a sample to Tg, the sample can return to the shape it took before melt deformation. This is the basic principle behind the design of all polymer-based shape-memory materials. This work presents intriguing evidence based on both experiment and computer simulation that the chain network, deformed well above Tg, can drive the glassy polymer to undergo elastic yielding. Our experimental systems include polystyrene, poly(methyl methacrylate) and polycarbonate; the molecular dynamics simulation is based on Kremer-Grest bead-spring model. National Science Foundation (DMR-1444859 and DMR-1609977).

In situ observation of sol-gel transition of agarose aqueous solution by fluorescence measurement.

Science.gov (United States)

Wang, Zheng; Yang, Kun; Li, Haining; Yuan, Chaosheng; Zhu, Xiang; Huang, Haijun; Wang, Yongqiang; Su, Lei; Fang, Yapeng

2018-06-01

Sol-gel transition behavior of agarose aqueous solution was investigated by using rheology and fluorescence measurement. On heating, the storage modulus G' decreased gradually, then deviated abruptly at the temperature of about 65°C, and finally decreased slowly again. For fluorescence measurement, the phase transition point kept almost at the temperature of 65°C, which was consistent with that in rheology measurement. Upon compression, it was indicated that the fluorescence lifetime for the probe in the agarose aqueous solution showed a dramatic change in the vicinity of the phase transition point. T vs. P phase diagram of agarose aqueous solution was constructed, which showed that the melting point was an increasing function of pressure. Based on the phase diagram, the agarose gels were prepared by cooling under atmospheric pressure and the pressure of 300MPa, respectively. From the result of the recovered samples studied by optical rheometry, it was found that agarose gel prepared under high pressure had a higher elasticity and lower viscosity index, compared with that under atmospheric pressure. It could be speculated that such kinds of properties might be attributed to the smaller pore size during gelation under high pressure. Copyright © 2018. Published by Elsevier B.V.

Phase transitions and multicritical points in the mixed spin-32 and spin-2 Ising system with a single-ion anisotropy

International Nuclear Information System (INIS)

Bobak, A.; Dely, J.

2007-01-01

The effect of a single-ion anisotropy on the phase diagram of the mixed spin-32 and spin-2 Ising system is investigated by the use of a mean-field theory based on the Bogoliubov inequality for the free energy. Topologically different kinds of phase diagrams are achieved by changing values of the parameter in the model Hamiltonian. Besides second-order transitions, lines of first-order transitions terminating either at a tricritical point or an isolated critical point, are found

Volatile diffusion in silicate melts and its effects on melt inclusions

Directory of Open Access Journals (Sweden)

P. Scarlato

2005-06-01

Full Text Available A compendium of diffusion measurements and their Arrhenius equations for water, carbon dioxide, sulfur, fluorine, and chlorine in silicate melts similar in composition to natural igneous rocks is presented. Water diffusion in silicic melts is well studied and understood, however little data exists for melts of intermediate to basic compositions. The data demonstrate that both the water concentration and the anhydrous melt composition affect the diffusion coefficient of water. Carbon dioxide diffusion appears only weakly dependent, at most, on the volatilefree melt composition and no effect of carbon dioxide concentration has been observed, although few experiments have been performed. Based upon one study, the addition of water to rhyolitic melts increases carbon dioxide diffusion by orders of magnitude to values similar to that of 6 wt% water. Sulfur diffusion in intermediate to silicic melts depends upon the anhydrous melt composition and the water concentration. In water-bearing silicic melts sulfur diffuses 2 to 3 orders of magnitude slower than water. Chlorine diffusion is affected by both water concentration and anhydrous melt composition; its values are typically between those of water and sulfur. Information on fluorine diffusion is rare, but the volatile-free melt composition exerts a strong control on its diffusion. At the present time the diffusion of water, carbon dioxide, sulfur and chlorine can be estimated in silicic melts at magmatic temperatures. The diffusion of water and carbon dioxide in basic to intermediate melts is only known at a limited set of temperatures and compositions. The diffusion data for rhyolitic melts at 800°C together with a standard model for the enrichment of incompatible elements in front of growing crystals demonstrate that rapid crystal growth, greater than 10-10 ms-1, can significantly increase the volatile concentrations at the crystal-melt interface and that any of that melt trapped

Flux Decoupling and Chemical Diffusion in Redox Dynamics in Aluminosilicate Melts and Glasses (Invited)

Science.gov (United States)

Cooper, R. F.

2010-12-01

Measurements of redox dynamics in silicate melts and glasses suggest that, for many compositions and for many external environments, the reaction proceeds and is rate-limited by the diffusive flux of divalent-cation network modifiers. Application of ion-backscattering spectrometry either (i) on oxidized or reduced melts (subsequently quenched before analysis) or (ii) on similarly reacted glasses, both of basalt-composition polymerization, demonstrates that the network modifiers move relative to the (first-order-rigid) aluminosilicate network. Thus, the textures associated with such reactions are often surprising, and frequently include metastable or unstable phases and/or spatial compositional differences. This response is only possible if the motion of cations can be decoupled from that of anions. In many cases, decoupling is accomplished by the presence in the melt/glass of transition-metal cations, whose heterovalency creates distortions in the electronic band structure resulting in electronic defects: electron “holes” in the valence band or electrons in the conduction band. (The prevalence of holes or electrons being a function of bulk chemistry and oxygen activity.) These electronic species make the melt/glass a “defect semiconductor.” Because (a) the critical issue in reaction dynamics is the transport coefficient (the product of species mobility and species concentration) and (b) the electronic species are many orders of magnitude more mobile than are the ions, very low concentrations of transition-metal ions are required for flux decoupling. For example, 0.04 at% Fe keeps a magnesium aluminosilicate melt/glass a defect semiconductor down to 800°C [Cook & Cooper, 2000]. Depending on composition, high-temperature melts can see ion species having a high-enough transport coefficient to allow decoupling, e.g., alkali cations in a basaltic melt [e.g., Pommier et al., 2010]. In this presentation, these ideas will be illustrated by examining redox dynamics

Size and temperature consideration in the liquid layer growth from nanovoids and the melting model construction

International Nuclear Information System (INIS)

Li, H.; Liang, X.H.; Li, M.

2014-01-01

A new model for the solid melting point T m (D) from nanovoids is proposed through considering the liquid layer growth behavior. This model, which does not have any adjustable parameter, introduces the classical thermodynamic treatment, i.e., the liquid nucleation and growth theory, for nanoparticle melting. With increased void diameter D, T m (D) approaches to T m0 . Moreover, T m (D) > T m0 for a small void (T m0 is the bulk melting point). In other words, the solid can be significantly superheated especially when D decreases, even if the difference of interface energy is larger than zero. This finding can be expected from the negatively curved surface of the void. The model predictions are consistent with the molecular dynamic (MD) simulation results for argon solids. Moreover, the growth of liquid layer from void surface relies on both size and temperature, which directly determine liquid layer thickness, and only when liquid layer thickness reaches to a critical value, can void become instable. - Highlights: • A united model for the crystal melting point from nanovoids is established. • Melting point increases with decreased void size. • The result is expected from the negatively curved surface of the void. • The prediction is agreed well with the MD simulation results

Vortex lattice melting, pinning and kinetics

International Nuclear Information System (INIS)

Doniach, S.; Ryu, S.; Kapitulnik, A.

1994-01-01

The phenomenology of the high T c superconductors is discussed both at the level of the thermodynamics of melting of the Abrikosov flux lattice and in terms of the melting and kinetics of the flux lattice for a pinned system. The authors review results on 3D melting obtained by a Monte Carlo simulation approach in which the 2D open-quotes pancakeclose quotes vortices are treated as statistical variables. The authors discuss pinning in the context of the strong pinning regime in which the vortex density given in terms of the applied field B is small compared to that represented by an effective field B pin measuring the pinning center density. The authors introduce a new criterion for the unfreezing of a vortex glass on increase of magnetic field or temperature, in the strong pinning, small field unit. The authors model this limit in terms of a single flux line interacting with a columnar pin. This model is studied both analytically and by computer simulation. By applying a tilt potential, the authors study the kinetics of the vortex motion in an external current and show that the resulting current-voltage characteristic follows a basic vortex glass-like scaling relation in the vicinity of the depinning transition

Using thermodynamic data to reproduce main seismic features of transition zone

Science.gov (United States)

Fomin, Ilya; Saukko, Anna; Edwards, Paul; Schiffer, Christian

2016-04-01

Most of the seismic tomography studies nowadays are based on comprehensive models with optimization of lots of parameters. These models are able to resolve very subtle features of the Earth's mantle, but the influence of each specific parameter is not seen directly. In our research we try to minimize the number of processed parameters to produce simple synthetic cases. The main goals of our model are to see how water content influences the depth of the transition zone, and if melting at the transition zone is plausible. We also attempt to see how water content and the presence of melts influence the signal strength of the transition zone in receiver functions. Our MATLAB-code calculates phase assemblage according to specific temperature and pressure within 2D numerical domain (e.g. 300x700 km). Phase properties are calculated with database of Stixrude and Lithgow-Bertelloni [2011], with corrections for water impact on elastic constants according to Liu et al., [2012]. We use the mantle phase composition 55% garnet and 45% olivine-polymorph, soliduses by Ohtani et al. [2004] and melt properties by Sakamaki et al. [2006]. These data are used to calculate seismic velocities and, furthermore, receiver functions with standard routines (e.g.[Schiffer et al., 2012]). Model predicts Vs within 5 to 5.5 km/s and Vp around 9.5-10 km/s within transition zone (Vp/Vs = 1.84-1.87), which is close to standard values. The presence of water enlarges the wadsleyite region, but also dampens the peak of receiver functions down to background level. Increase in water content causes melting at much shallower depths. Using a normal thermal gradient, we can get up to 10% of melt at depths around 390 km with 80% of water saturation, shown by a negative anomaly on receiver functions. This result is similar to data obtained for Afar Plateau [Thompson et al., 2015]. With cratonic thermal gradient, the olivine-wadsleyite transition and corresponding melt layer appear at depths around 350 km

Experiments and analyses on melt jet impingement during severe accidents

International Nuclear Information System (INIS)

Sehgal, B.R.; Green, J.A.; Dinh, T.N.; Dong, W.

1997-01-01

Relocation of melt from the core region, during a nuclear reactor severe accident, presents the potential for erosion of the reactor pressure vessel (RPV) wall as a result of melt jet impingement. The extent of vessel erosion will depend upon a variety of parameters, including jet diameter, velocity, composition, superheat, angle of inclination, and the presence of an overlying water or melt pool. Experiments have been conducted at the Royal Institute of Technology Division of Nuclear Power Safety (RIT/NPS) which employ a variety of melt and pressure vessel simulant materials, such as water, salt-ice, Cerrobend alloy and molten salt. These experiments have revealed that the erosion depth of the vessel simulant in the jet stagnation zone can be adequately predicted by the Saito correlation, which is based on turbulent heat transfer, while initial erosion rates are seen to be in line with the laminar-stagnation-zone model. A transition between the laminar and turbulent regimes was realized in most cases and is attributed to the roughness of the surface in the eroded cavity formed

Phenomenological Equations Relating Various Critical Anomalies above a Cubic-to-Tetragonal Phase Transition Point

Science.gov (United States)

Hamano, Katsumi; Hirotsu, Shunsuke

1980-01-01

Phenomenological equations are derived which interrelate the anomalies in various thermodynamic quantities above the transition point of a cubic-to-tetragonal phase transition caused by an instability of a triply degenerate soft mode. The anomalous part of the Gibbs free energy is assumed to be a simple sum of the three parts which represent the contributions from the three fluctuation components. A cylindrical approximation is adopted to each of the three contributions by taking into account the symmetry of the fluctuations. The theory predicts that the adiabatic elastic compliances, s11s, s12s, and also s11s-s12s should exhibit anomalies proportional to the anomaly in the specific heat at constant pressure. This is in marked contrast with the result of the generalized Pippard equations derived by Garland, and by Janovec. The new equations are successfully tested for KMnF3, CsPbCl3, and CsPbBr3. The β-γ transition of NH4Br is also discussed.

Production of Transitional Diffused Layers by Electrospark Coating

Science.gov (United States)

Smolentsev, Vladislav P.; Boldyrev, Alexander I.; Smolentsev, Evgeniy V.; Boldyrev, Alexander A.; Mozgalin, Vladislav L.

2018-03-01

The article presents a new method for production of diffused transitional layers with nano- and microthickness by local removal of nanofilms on aluminum alloys. This allows procuring of high-quality coatings on fusible alloys (for example, on aluminum ones) by materials, the melting point of which is 2-3 times higher than that of the basis (for example, of cast iron). This permits imparting new useful properties to workpieces made from light alloys with decent values for electrochemical working. The authors show that application of coatings provides minimum heating of workpieces. This enables the regulation in temperature condition of operating environment and permits efficiency improving during the process of electrochemical working by means of higher density current supply.

Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies

Science.gov (United States)

Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger

2018-02-01

Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995), 10.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012), 10.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.

Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies.

Science.gov (United States)

Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger

2018-02-01

Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995)JSTPBS0022-471510.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012)PLEEE81539-375510.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.

Shear effects on crystallization behaviors and structure transitions of isotactic poly-1-butene

DEFF Research Database (Denmark)

Li, Jingqing; Guan, Peipei; Zhang, Yao

2014-01-01

Different melt pre-shear conditions were applied to isotactic poly-1-butene (iP-1-B) and the effect on the crystallization behaviors and the crystalline structure transitions of iP-1-B were investigated. The polarized optical microscope observations during isothermal crystallization process...... revealed that the applied melt pre-shear within the experimental range could enhance the nucleation of crystal II and accelerate the diameter growth of the formed spherulites. If the applied melt pre-shear rate was large enough, Shish-Kebabs structure could be formed. After the isothermal crystallization...... was formed in the melt pre-sheared iP-1-B samples. Further investigations were applied with synchrotron radiation instruments. Wide angle X-ray scattering (WAXS) and small angle X-ray scattering (SAXS) after the crystal transition showed that the applied melt pre-shear could result in orientated fine...

Generalized melting criterion for beam-induced amorphization

International Nuclear Information System (INIS)

Lam, N. Q.; Okamoto, Paul R.

1993-09-01

Recent studies have shown that the mean-square static atomic displacements provide a generic measure of the enthalpy stored in the lattice in the form of chemical and topological disorder, and that the effect of the displacements on the softening of shear elastic constants is identical to that of heating. This finding lends support to a generalized form of the Lindemann phenomenological melting criterion and leads to a natural interpretion of crystalline-to-amorphous transformations as defect-induced melting of metastable crystals driven beyond a critical state of disorder where the melting temperature falls below the glass-transition temperature. Application of the generalized Lindemann criterion to both the crystalline and amorphous phases indicates that the enthalpies of the two phases become identical when their shear moduli become equal. This thermo-elastic rule provides a basis for predicting the relative susceptibility of compounds to amorphization in terms of their elastic properties as measured by Debye temperatures. The present approach can explain many of the basic findings on beam-induced amorphization of intermetallic compounds as well as amorphous phase formation associated with ion implantation, ion-beam mixing and other solid-state processes

Nonsymmorphic cubic Dirac point and crossed nodal rings across the ferroelectric phase transition in LiOsO3

Science.gov (United States)

Yu, Wing Chi; Zhou, Xiaoting; Chuang, Feng-Chuan; Yang, Shengyuan A.; Lin, Hsin; Bansil, Arun

2018-05-01

Crystalline symmetries can generate exotic band-crossing features, which can lead to unconventional fermionic excitations with interesting physical properties. We show how a cubic Dirac point—a fourfold-degenerate band-crossing point with cubic dispersion in a plane and a linear dispersion in the third direction—can be stabilized through the presence of a nonsymmorphic glide mirror symmetry in the space group of the crystal. Notably, the cubic Dirac point in our case appears on a threefold axis, even though it has been believed previously that such a point can only appear on a sixfold axis. We show that a cubic Dirac point involving a threefold axis can be realized close to the Fermi level in the nonferroelectric phase of LiOsO3. Upon lowering temperature, LiOsO3 has been shown experimentally to undergo a structural phase transition from the nonferroelectric phase to the ferroelectric phase with spontaneously broken inversion symmetry. Remarkably, we find that the broken symmetry transforms the cubic Dirac point into three mutually crossed nodal rings. There also exist several linear Dirac points in the low-energy band structure of LiOsO3, each of which is transformed into a single nodal ring across the phase transition.

Shear-induced anisotropic plastic flow from body-centred-cubic tantalum before melting

Science.gov (United States)

Wu, Christine J.; Söderlind, Per; Glosli, James N.; Klepeis, John E.

2009-03-01

There are many structural and optical similarities between a liquid and a plastic flow. Thus, it is non-trivial to distinguish between them at high pressures and temperatures, and a detailed description of the transformation between these phenomena is crucial to our understanding of the melting of metals at high pressures. Here we report a shear-induced, partially disordered viscous plastic flow from body-centred-cubic tantalum under heating before it melts into a liquid. This thermally activated structural transformation produces a unique, one-dimensional structure analogous to a liquid crystal with the rheological characteristics of Bingham plastics. This mechanism is not specific to Ta and is expected to hold more generally for other metals. Remarkably, this transition is fully consistent with the previously reported anomalously low-temperature melting curve and thus offers a plausible resolution to a long-standing controversy about melting of metals under high pressures.

Point-contact spectroscopy of unsaturated transition-metal oxides and the problem of zero-bias anomalies

International Nuclear Information System (INIS)

Tulina, N.A.

1985-01-01

The point-contact spectra of oxides with metallic conductivity WO 2 , ReO 3 , and MoO 2 are studied. It is shown that the zero-bias anomalies, which are often observed in the spectra of transition metals, are determined by the presence of an interlayer consisting of an oxide of the above type in the region of the point contact. Zero-bias anomalies do not occur in the point-contact spectra of Zn--MoO 2 -chip heterocontacts. In the studies of such heterocontacts the major maxima in the electron--phonon interaction of MoO 2 were determined at the energies hω/sub T/Aapprox.28 meV and hω/sub L/Aapprox.41 meV

Realization of the Temperature Scale in the Range from 234.3 K (Hg Triple Point) to 1084.62°C (Cu Freezing Point) in Croatia

Science.gov (United States)

Zvizdic, Davor; Veliki, Tomislav; Grgec Bermanec, Lovorka

2008-06-01

This article describes the realization of the International Temperature Scale in the range from 234.3 K (mercury triple point) to 1084.62°C (copper freezing point) at the Laboratory for Process Measurement (LPM), Faculty of Mechanical Engineering and Naval Architecture (FSB), University of Zagreb. The system for the realization of the ITS-90 consists of the sealed fixed-point cells (mercury triple point, water triple point and gallium melting point) and the apparatus designed for the optimal realization of open fixed-point cells which include the gallium melting point, tin freezing point, zinc freezing point, aluminum freezing point, and copper freezing point. The maintenance of the open fixed-point cells is described, including the system for filling the cells with pure argon and for maintaining the pressure during the realization.

Constant electrical resistivity of Ni along the melting boundary up to 9 GPa

Science.gov (United States)

Silber, Reynold E.; Secco, Richard A.; Yong, Wenjun

2017-07-01

Characterization of transport properties of liquid Ni at high pressures has important geophysical implications for terrestrial planetary interiors, because Ni is a close electronic analogue of Fe and it is also integral to Earth's core. We report measurements of the electrical resistivity of solid and liquid Ni at pressures 3-9 GPa using a 3000 t multianvil large volume press. A four-wire method, in conjunction with a rapid acquisition meter and polarity switch, was used to overcome experimental challenges such as melt containment and maintaining sample geometry and to mitigate the extreme reactivity/solubility of liquid Ni with most thermocouple and electrode materials. Thermal conductivity is calculated using the Wiedemann-Franz law. Electrical resistivity of solid Ni exhibits the expected P dependence and is consistent with earlier experimental values. Within experimental uncertainties, our results indicate that resistivity of liquid Ni remains invariant along the P-dependent melting boundary, which is in disagreement with earlier prediction for liquid transition metals. The potential reasons for such behavior are examined qualitatively through the impact of P-independent local short-range ordering on electron mean free path and the possibility of constant Fermi surface at the onset of Ni melting. Correlation among metals obeying the Kadowaki-Woods ratio and the group of late transition metals with unfilled d-electron band displaying anomalously shallow melting curves suggests that on the melting boundary, Fe may exhibit the same resistivity behavior as Ni. This could have important implications for the heat flow in the Earth's core.

Experimental Investigation of Concrete Runway Snow Melting Utilizing Heat Pipe Technology

Directory of Open Access Journals (Sweden)

Fengchen Chen

2018-01-01

Full Text Available A full scale snow melting system with heat pipe technology is built in this work, which avoids the negative effects on concrete structure and environment caused by traditional deicing chemicals. The snow melting, ice-freezing performance and temperature distribution characteristics of heat pipe concrete runway were discussed by the outdoor experiments. The results show that the temperature of the concrete pavement is greatly improved with the heat pipe system. The environment temperature and embedded depth of heat pipe play a dominant role among the decision variables of the snow melting system. Heat pipe snow melting pavement melts the snow completely and avoids freezing at any time when the environment temperature is below freezing point, which is secure enough for planes take-off and landing. Besides, the exportation and recovery of geothermal energy indicate that this system can run for a long time. This paper will be useful for the design and application of the heat pipe used in the runway snow melting.

Experimental Investigation of Concrete Runway Snow Melting Utilizing Heat Pipe Technology.

Science.gov (United States)

Chen, Fengchen; Su, Xin; Ye, Qing; Fu, Jianfeng

2018-01-01

A full scale snow melting system with heat pipe technology is built in this work, which avoids the negative effects on concrete structure and environment caused by traditional deicing chemicals. The snow melting, ice-freezing performance and temperature distribution characteristics of heat pipe concrete runway were discussed by the outdoor experiments. The results show that the temperature of the concrete pavement is greatly improved with the heat pipe system. The environment temperature and embedded depth of heat pipe play a dominant role among the decision variables of the snow melting system. Heat pipe snow melting pavement melts the snow completely and avoids freezing at any time when the environment temperature is below freezing point, which is secure enough for planes take-off and landing. Besides, the exportation and recovery of geothermal energy indicate that this system can run for a long time. This paper will be useful for the design and application of the heat pipe used in the runway snow melting.

Critical-point nuclei

International Nuclear Information System (INIS)

Clark, R.M.

2004-01-01

It has been suggested that a change of nuclear shape may be described in terms of a phase transition and that specific nuclei may lie close to the critical point of the transition. Analytical descriptions of such critical-point nuclei have been introduced recently and they are described briefly. The results of extensive searches for possible examples of critical-point behavior are presented. Alternative pictures, such as describing bands in the candidate nuclei using simple ΔK = 0 and ΔK = 2 rotational-coupling models, are discussed, and the limitations of the different approaches highlighted. A possible critical-point description of the transition from a vibrational to rotational pairing phase is suggested

Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulations

Science.gov (United States)

Hsieh, Min-Kang; Lin, Shiang-Tai

2009-12-01

Molecular dynamics simulations are performed to study the initial structural development in poly(trimethylene terephthalate) (PTT) when quenched below its melting point. The development of local ordering has been observed in our simulations. The thermal properties, such as the glass transition temperature (Tg) and the melting temperature (Tm), determined from our simulations are in reasonable agreement with experimental values. It is found that, between these two temperatures, the number of local structures quickly increases during the thermal relaxation period soon after the system is quenched and starts to fluctuate afterwards. The formation and development of local structures is found to be driven mainly by the torsional and van der Waals forces and follows the classical nucleation-growth mechanism. The variation of local structures' fraction with temperature exhibits a maximum between Tg and Tm, resembling the temperature dependence of the crystallization rate for most polymers. In addition, the backbone torsion distribution for segments within the local structures preferentially reorganizes to the trans-gauche-gauche-trans (t-g-g-t) conformation, the same as that in the crystalline state. As a consequence, we believe that such local structural ordering could be the baby nuclei that have been suggested to form in the early stage of polymer crystallization.

Model of fracture of metal melts and the strength of melts under dynamic conditions

International Nuclear Information System (INIS)

Mayer, P. N.; Mayer, A. E.

2015-01-01

The development of a continuum model of deformation and fracture of melts is needed for the description of the behavior of metals in extreme states, in particular, under high-current electron and ultrashort laser irradiation. The model proposed includes the equations of mechanics of a two-phase continuum and the equations of the kinetics of phase transitions. The change (exchange) of the volumes of dispersed and carrier phases and of the number of dispersed particles is described, and the energy and mass exchange between the phases due to phase transitions is taken into account. Molecular dynamic (MD) calculations are carried out with the use of the LAMMPS program. The continuum model is verified by MD, computational, and experimental data. The strength of aluminum, copper, and nickel is determined at various temperatures and strain rates. It is shown that an increase in the strain rate leads to an increase in the strength of a liquid metal, while an increase in temperature leads to a decrease in its strength

Model of fracture of metal melts and the strength of melts under dynamic conditions

Energy Technology Data Exchange (ETDEWEB)

Mayer, P. N., E-mail: polina.nik@mail.ru; Mayer, A. E., E-mail: mayer@csu.ru [Chelyabinsk State University (Russian Federation)

2015-07-15

The development of a continuum model of deformation and fracture of melts is needed for the description of the behavior of metals in extreme states, in particular, under high-current electron and ultrashort laser irradiation. The model proposed includes the equations of mechanics of a two-phase continuum and the equations of the kinetics of phase transitions. The change (exchange) of the volumes of dispersed and carrier phases and of the number of dispersed particles is described, and the energy and mass exchange between the phases due to phase transitions is taken into account. Molecular dynamic (MD) calculations are carried out with the use of the LAMMPS program. The continuum model is verified by MD, computational, and experimental data. The strength of aluminum, copper, and nickel is determined at various temperatures and strain rates. It is shown that an increase in the strain rate leads to an increase in the strength of a liquid metal, while an increase in temperature leads to a decrease in its strength.

Development of rheometer for semi-solid highmelting point alloys

Directory of Open Access Journals (Sweden)

LIU Wen

2005-11-01

Full Text Available A rheometer for semi-solid high-melting point alloys was developed based on the principle of a double-bucket rheometer, with which the solidifying of semi-solid high-melting point alloy melt could be effectively controlled by the control of temperature and the outer force-field; and different microstructures have also been obtained. This rheometer can be used to investigate the rheological behavior under different conditions by changing the Theological parameters. By way of full-duplex communication between the computer and each sensor, automatic control of the test equipment and real- timemeasurement of rheological parameters were realized. Finally, the influencing factors on torque are also quantitatively analyzed.

Synthesis of Binary Transition Metal Nitrides, Carbides and Borides from the Elements in the Laser-Heated Diamond Anvil Cell and Their Structure-Property Relations

Directory of Open Access Journals (Sweden)

Lkhamsuren Bayarjargal

2011-09-01

Full Text Available Transition metal nitrides, carbides and borides have a high potential for industrial applications as they not only have a high melting point but are generally harder and less compressible than the pure metals. Here we summarize recent advances in the synthesis of binary transition metal nitrides, carbides and borides focusing on the reaction of the elements at extreme conditions generated within the laser-heated diamond anvil cell. The current knowledge of their structures and high-pressure properties like high-(p; T stability, compressibility and hardness is described as obtained from experiments.

Synthesis of Binary Transition Metal Nitrides, Carbides and Borides from the Elements in the Laser-Heated Diamond Anvil Cell and Their Structure-Property Relations

Science.gov (United States)

Friedrich, Alexandra; Winkler, Björn; Juarez-Arellano, Erick A.; Bayarjargal, Lkhamsuren

2011-01-01

Transition metal nitrides, carbides and borides have a high potential for industrial applications as they not only have a high melting point but are generally harder and less compressible than the pure metals. Here we summarize recent advances in the synthesis of binary transition metal nitrides, carbides and borides focusing on the reaction of the elements at extreme conditions generated within the laser-heated diamond anvil cell. The current knowledge of their structures and high-pressure properties like high-(p,T) stability, compressibility and hardness is described as obtained from experiments. PMID:28824101

Glass Transition, Crystallization of Glass-Forming Melts, and Entropy

Directory of Open Access Journals (Sweden)

Jürn W. P. Schmelzer

2018-02-01

Full Text Available A critical analysis of possible (including some newly proposed definitions of the vitreous state and the glass transition is performed and an overview of kinetic criteria of vitrification is presented. On the basis of these results, recent controversial discussions on the possible values of the residual entropy of glasses are reviewed. Our conclusion is that the treatment of vitrification as a process of continuously breaking ergodicity with entropy loss and a residual entropy tending to zero in the limit of zero absolute temperature is in disagreement with the absolute majority of experimental and theoretical investigations of this process and the nature of the vitreous state. This conclusion is illustrated by model computations. In addition to the main conclusion derived from these computations, they are employed as a test for several suggestions concerning the behavior of thermodynamic coefficients in the glass transition range. Further, a brief review is given on possible ways of resolving the Kauzmann paradox and its implications with respect to the validity of the third law of thermodynamics. It is shown that neither in its primary formulations nor in its consequences does the Kauzmann paradox result in contradictions with any basic laws of nature. Such contradictions are excluded by either crystallization (not associated with a pseudospinodal as suggested by Kauzmann or a conventional (and not an ideal glass transition. Some further so far widely unexplored directions of research on the interplay between crystallization and glass transition are anticipated, in which entropy may play—beyond the topics widely discussed and reviewed here—a major role.

Effects of the ingot phase transition on microstructure and magnetic properties of CeNdFeB melt-spun ribbons

Energy Technology Data Exchange (ETDEWEB)

Wang, Xuchao [Division of Functional Materials Research, Central Iron and Steel Research Institute, Beijing 100081, China (China); College of Sciences, Northeastern University, Shenyang 110819 (China); Zhu, Minggang, E-mail: mgzhu@126.com [Division of Functional Materials Research, Central Iron and Steel Research Institute, Beijing 100081, China (China); Li, Wei; Zheng, Liyun; Guo, Zhaohui; Du, Xiao [Division of Functional Materials Research, Central Iron and Steel Research Institute, Beijing 100081, China (China); Du, An [College of Sciences, Northeastern University, Shenyang 110819 (China)

2015-11-01

The paper studies the phase transition of ingot with the composition (Ce{sub 50}Nd{sub 50}){sub 30}Fe{sub bal}Co{sub 4}Ga{sub 0.2}B{sub 0.92} after the annealing treatment at 1050 °C. The melt-spun ribbons which is prepared by the two treatment status ingots. The phase structure and microstructure morphologies of the ingots and melt-spun ribbons were analysed and observed by XRD and SEM. It was found that the grain size of the ribbons is on the nanometer scale. The EDS results show that there are four different phases in the ingot: (CeNd){sub 2}Fe{sub 14}B, α-Fe, Ce-rich phase and Nd-rich phase. After the annealing treatment, α-Fe, Ce-rich phase, and Nd-rich phase were obviously reduced and the contents of the main phase was significantly increased in the annealed ingot compared with the unanneal treatment ingot. The VSM results show that there is a peak waist in the ribbon which is prepared by the untreated ingot. Because the ingot is uneven, the ribbons may have the secondary phase, the Hcj is 8394 Oe. But the demagnetization curves of the ribbons, which is prepared by the annealed ingot, is relatively smooth and without the soft magnetic phase and the Hcj is 12,528 Oe, which is higher than the unanneal treatment ingot. We can know that the ingot with fine organization is the key factors to preparing high-performance ribbons.

Melting of the moving vortex lattice in the presence of disorder

International Nuclear Information System (INIS)

Koshelev, A.E.; Vinokur, V.M.

1994-07-01

The authors investigate the melting of the two-dimensional vortex lattice moving in an inhomogeneous environment under the applied current j. They predict the existence of a dynamic phase transition at some current j = j t (crystallization current) from the motion of the amorphous configuration at j t to the motion of the crystal at j > j t . j t exceeds essentially the critical current j c for strongly disordered systems and approaches j c with the decrease of the degree of disorder. They find that j t diverges as temperature approaches the melting temperature of the undisturbed lattice

About the Shape of the Melting Line as a Possible Precursor of a Liquid-Liquid Phase Transition

Science.gov (United States)

Imre, Attila R.; Rzoska, Sylwester J.

Several simple, non-mesogenic liquids can exists in two or more different liquid forms. When the liquid-liquid line, separating two liquid forms, meets the melting line, one can expect some kind of break on the melting line, caused by the different freezing/melting behaviour of the two liquid forms. Unfortunately recently several researchers are using this vein of thinking in reverse; seeing some irregularity on the melting line, they will expect a break and the appearance of a liquid-liquid line. In this short paper, we are going to show, that in the case of the high-pressure nitrogen studied recently by Mukherjee and Boehler, the high-pressure data can be easily described by a smooth, break-free function, the modified Simon-Glatzel equation. In this way, the break, suggested by them and consequently the suggested appearance of a new liquid phase of the nitrogen might be artefacts.

Point, surface and volumetric heat sources in the thermal modelling of selective laser melting

NARCIS (Netherlands)

Yang, Y.; Ayas, C.; Brabazon, Dermot; Naher, Sumsun; Ul Ahad, Inam

2017-01-01

Selective laser melting (SLM) is a powder based additive manufacturing technique suitable for producing high precision metal parts. However, distortions and residual stresses within products arise during SLM because of the high temperature gradients created by the laser heating. Residual stresses

Hydrogen effect on different melts of steel 03Cr10Ni10Mo2(Ti,Al)

International Nuclear Information System (INIS)

Hruby, J.; Novosad, P.; Axamit, R.

1984-01-01

The effect of hydrogen on martensitic 03Cr10Ni10Mo2(Ti,Al) steel was studied following vacuum induction melting and electroslag remelting with and without the effect of radiation. Under the influence of hydrogen and under the same parameters of catodic hydrogen charging of steel after vacuum induction melting shows a 20 - 30% reduction in total ductility. Steels after electroslag remelting show a higher reduction in total ductility - within the range of 26 - 33%, i.e., 33 - 43% for different melts, and contraction Z shows a reduction of 23 - 59%. Electroslag remelted steels show a greater reduction in plasticity owing to hydrogen than steels melted in vacuum induction furnaces. The reduction of the yield point and the breaking strength owing to hydrogen are more explicit than in steel after vacuum melting. In non-irradiated hydrogenated samples a higher yield point was evident. (B.S.)

Microstructures and microhardness evolutions of melt-spun Al-8Ni-5Nd-4Si alloy

Energy Technology Data Exchange (ETDEWEB)

Karakoese, Ercan, E-mail: ekarakose@karatekin.edu.tr [Karatekin University, Faculty of Sciences, Department of Physics, 18100 Cank Latin-Small-Letter-Dotless-I r Latin-Small-Letter-Dotless-I (Turkey); Keskin, Mustafa [Erciyes University, Faculty of Sciences, Department of Physics, 38039 Kayseri (Turkey)

2012-03-15

Al-Ni-Nd-Si alloy with nominal composition of Al-8 wt.%Ni-5 wt.%Nd-4 wt.%Si was rapidly solidified by using melt-spinning technique to examine the influence of the cooling rate/conditions on microstructure and mechanical properties. The resulting conventional cast (ingot) and melt-spun ribbons were characterized by X-ray diffraction, optical microscopy, scanning electron microscopy together with energy dispersive spectroscopy, differential scanning calorimetry, differential thermal analysis and Vickers microhardness tester. The ingot alloys consists of four phases namely {alpha}-Al, intermetallic Al{sub 3}Ni, Al{sub 11}Nd{sub 3} and fcc Si. Melt-spun ribbons are completely composed of {alpha}-Al phase. The optical microscopy and scanning electron microscopy results show that the microstructures of rapidly solidified ribbons are clearly different from their ingot alloy. The change in microhardness is discussed based on the microstructural observations. - Highlights: Black-Right-Pointing-Pointer Rapid solidification allows a reduction in grain size, extended solid solution ranges. Black-Right-Pointing-Pointer We observed the matrix lattice parameter increases with increasing wheel speed. Black-Right-Pointing-Pointer Melt-spun ribbons consist of partly amorphous phases embedded in crystalline phases. Black-Right-Pointing-Pointer The solidification rate is high enough to retain most of alloying elements in the Al matrix. Black-Right-Pointing-Pointer The rapid solidification has effect on the phase constitution.

Changes in structure of the short-range order of the InP melt when heated

International Nuclear Information System (INIS)

Glazov, V.M.; Dovletov, K.; Nashel'skij, A.Ya.; Mamedov, M.M.

1977-01-01

An investigation of the temperature dependence of the InP viscosity has indicated an ''after-melting'' effect similar to that observed in other A 3 V 5 compounds having a sphalerite structure. The termodynamic parameters of the viscous flow of indium phosphide melt have been calculated, and a suggestion has been made on the loosening of the short-range order structure of the melt during the period preceding solidification. With the similarity in the behaviour of InP and of A 3 Sb compound melts as a basis, a suggestion has been put forward that the influence of the thermal dissociation upon the character of the changes in the short-range order structure directly after transition from the solid to the liquid phase is negligible

Pressure-jump induced rapid solidification of melt: a method of preparing amorphous materials

Science.gov (United States)

Liu, Xiuru; Jia, Ru; Zhang, Doudou; Yuan, Chaosheng; Shao, Chunguang; Hong, Shiming

2018-04-01

By using a self-designed pressure-jump apparatus, we investigated the melt solidification behavior in rapid compression process for several kinds of materials, such as elementary sulfur, polymer polyether-ether-ketone (PEEK) and poly-ethylene-terephthalate, alloy La68Al10Cu20Co2 and Nd60Cu20Ni10Al10. Experimental results clearly show that their melts could be solidified to be amorphous states through the rapid compression process. Bulk amorphous PEEK with 24 mm in diameter and 12 mm in height was prepared, which exceeds the size obtained by melt quenching method. The bulk amorphous sulfur thus obtained exhibited extraordinarily high thermal stability, and an abnormal exothermic transition to liquid sulfur was observed at around 396 K for the first time. Furthermore, it is suggested that the glass transition pressure and critical compression rate exist to form the amorphous phase. This approach of rapid compression is very attractive not only because it is a new technique of make bulk amorphous materials, but also because novel properties are expected in the amorphous materials solidified by the pressure-jump within milliseconds or microseconds.

Tin in granitic melts: The role of melting temperature and protolith composition

Science.gov (United States)

Wolf, Mathias; Romer, Rolf L.; Franz, Leander; López-Moro, Francisco Javier

2018-06-01

Granite bound tin mineralization typically is seen as the result of extreme magmatic fractionation and late exsolution of magmatic fluids. Mineralization, however, also could be obtained at considerably less fractionation if initial melts already had enhanced Sn contents. We present chemical data and results from phase diagram modeling that illustrate the dominant roles of protolith composition, melting conditions, and melt extraction/evolution for the distribution of Sn between melt and restite and, thus, the Sn content of melts. We compare the element partitioning between leucosome and restite of low-temperature and high-temperature migmatites. During low-temperature melting, trace elements partition preferentially into the restite with the possible exception of Sr, Cd, Bi, and Pb, that may be enriched in the melt. In high-temperature melts, Ga, Y, Cd, Sn, REE, Pb, Bi, and U partition preferentially into the melt whereas Sc, V, Cr, Co, Ni, Mo, and Ba stay in the restite. This contrasting behavior is attributed to the stability of trace element sequestering minerals during melt generation. In particular muscovite, biotite, titanite, and rutile act as host phases for Sn and, therefore prevent Sn enrichment in the melt as long as they are stable phases in the restite. As protolith composition controls both the mineral assemblage and modal contents of the various minerals, protolith composition eventually also controls the fertility of a rock during anatexis, restite mineralogy, and partitioning behavior of trace metals. If a particular trace element is sequestered in a phase that is stable during partial melting, the resulting melt is depleted in this element whereas the restite becomes enriched. Melt generation at high temperature may release Sn when Sn-hosts become unstable. If melt has not been lost before the breakdown of Sn-hosts, Sn contents in the melt will increase but never will be high. In contrast, if melt has been lost before the decomposition of Sn

Dense Pure Tungsten Fabricated by Selective Laser Melting

Directory of Open Access Journals (Sweden)

Dianzheng Wang

2017-04-01

Full Text Available Additive manufacturing using tungsten, a brittle material, is difficult because of its high melting point, thermal conductivity, and oxidation tendency. In this study, pure tungsten parts with densities of up to 18.53 g/cm3 (i.e., 96.0% of the theoretical density were fabricated by selective laser melting. In order to minimize balling effects, the raw polyhedral tungsten powders underwent a spheroidization process before laser consolidation. Compared with polyhedral powders, the spherical powders showed increased laser absorptivity and packing density, which helped in the formation of a continuous molten track and promoted densification.

Comparative Study on Two Melting Simulation Methods: Melting Curve of Gold

International Nuclear Information System (INIS)

Liu Zhong-Li; Li Rui; Sun Jun-Sheng; Zhang Xiu-Lu; Cai Ling-Cang

2016-01-01

Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently. A high-efficiency melting simulation method saves much simulation time and computational resources. To compare the efficiency of our newly developed shock melting (SM) method with that of the well-established two-phase (TP) method, we calculate the high-pressure melting curve of Au using the two methods based on the optimally selected interatomic potentials. Although we only use 640 atoms to determine the melting temperature of Au in the SM method, the resulting melting curve accords very well with the results from the TP method using much more atoms. Thus, this shows that a much smaller system size in SM method can still achieve a fully converged melting curve compared with the TP method, implying the robustness and efficiency of the SM method. (paper)

Boron-implantation-induced crystalline-to-amorphous transition in nickel: An experimental assessment of the generalized Lindemann melting criterion

International Nuclear Information System (INIS)

Liu, P.C.; Okamoto, P.R.; Zaluzec, N.J.; Meshii, M.

1999-01-01

The generalized Lindemann melting hypothesis has recently been used to develop a unified thermodynamic criterion for melting applicable to both heat-induced melting and disorder-induced crystalline-to-amorphous (c-a) transformation. The hypothesis stipulates that the sum left-angle μ 2 right-angle Total of the static and dynamic root-mean-square (rms) atomic displacements is a constant fraction of the nearest-neighbor distance along the melting curve of a solid. To test this hypothesis, energy-filtered selected area electron-diffraction intensity measurements were used to determine the generalized Lindemann parameter δ=√ (left-angle μ 2 right-angle Total ) /d nn , in which d nn represents the nearest-neighbor distance, as a function of boron concentration during implantation of 50-keV ampersand hthinsp;B + into polycrystalline Ni at 77 K. The onset of amorphization was found to occur close to 10 at.ampersand hthinsp;% boron, which is in good agreement with the value predicted by T o curve calculated using the generalized Lindemann hypothesis. Moreover, the critical value of the generalized Lindemann parameter for amorphization, δ Critical =0.115±0.01, is within experimental error, identical to that for Ni just below its thermodynamic melting temperature of T=1728 ampersand hthinsp;K, hence providing a direct confirmation for the generalized Lindemann melting hypothesis. copyright 1999 The American Physical Society

Experimental evidence for flux-lattice melting. [in high-Tc superconductors

Science.gov (United States)

Farrell, D. E.; Rice, J. P.; Ginsberg, D. M.

1991-01-01

A low-frequency torsional oscillator has been used to search for flux-lattice melting in an untwinned single crystal of YBa2Cu3O(7-delta). The damping of the oscillator was measured as a function of temperature, for applied magnetic fields in the range H = 0.1-2.3 T. A remarkably sharp damping peak has been located. It is suggested that the temperature of the peak corresponds to the melting point of the Abrikosov flux lattice.

Structure and dynamics of a silica melt in neutral confinement

Science.gov (United States)

Geske, Julian; Drossel, Barbara; Vogel, Michael

2017-04-01

We analyze the effects of spatial confinement on viscous silica using molecular dynamics simulations. For this purpose, we prepare a silica melt in a cylindrical pore, which is produced by pinning appropriate fractions of silicon and oxygen atoms in a bulk system after an equilibration period. In this way, the structure of the confined silica melt remains unaffected, while the confinement has a strong impact on the dynamics. We find that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall. Moreover, we observe that static density correlations exist in the vicinity of the pore wall. Based on these effects, we determine dynamical and structural length scales of the silica melt. Both length scales show a similar increase upon cooling, with values on the order of the next-neighbor distances in the studied temperature range. Interestingly, we find no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt. This observation casts serious doubts on the relevance of these length scales for the structural relaxation, at least for the studied glass former.

A quasimechanism of melt acceleration in the thermal decomposition of crystalline organic solids

Energy Technology Data Exchange (ETDEWEB)

Henson, Bryan F [Los Alamos National Laboratory

2009-01-01

It has been know for half a century that many crystalline organic solids undergo an acceleration in the rate of thermal decomposition as the melting temperature is approached. This acceleration terminates at the melting point, exhibiting an Arrhenius-like temperature dependence in the faster decomposition rate from the liquid phase. This observation has been modeled previously using various premelting behaviors based on e.g. freezing point depression induced by decomposition products or solvent impurities. These models do not, however, indicate a mechanism for liquid formation and acceleration which is an inherent function of the bulk thermodynamics of the molecule. Here we show that such an inherent thermodynamic mechanism for liquid formation exists in the form of the so-called quasi-liquid layer at the solid surface. We explore a kinetic mechanism which describes the acceleration of rate and is a function of the free energies of sublimation and vaporization. We construct a differential rate law from these thermodynamic free energies and a normalized progress variable. We further construct a reduced variable formulation of the model which is a simple function of the metastable liquid activity below the melting point, and show that it is applicable to the observed melt acceleration in several common organic crystalline solids. A component of the differential rate law, zero order in the progress variable, is shown to be proportional to the thickness of the quasiliquid layer predicted by a recent thermodynamic theory for this phenomenon. This work therefore serves not only to provide new insight into thermal decomposition in a broad class or organic crystalline solids, but also further validates the underlying thermodynamic nature of the phenomenon of liquid formation on the molecular surface at temperatures below the melting point.

Multivariate data analysis for finding the relevant fatty acids contributing to the melting fractions of cream

DEFF Research Database (Denmark)

Buldo, Patrizia; Larsen, Mette Krogh; Wiking, Lars

2013-01-01

:0 and palmitoleic acid (C16:1) in milk fat, whereas it decreased the amount of stearic acid (C18:0) and C18:1 trans fatty acid. Average data on the melting behaviour of cream separated the farms into two groups where the main differences in feeding were the amounts of maize silage and rapeseed cake used. CONCLUSION......BACKGROUND: The melting behaviour and fatty acid composition of cream from a total of 33 cows from four farms were analysed. Multivariate data analysis was used to identify the fatty acids that contributed most to the melting points and to differentiate between creams from different practical...... feeding regimes. RESULTS: It was demonstrated that the melting point of the medium melting fraction of milk fat was positively correlated with palmitic acid (C16:0), whereas it was negatively correlated with oleic acid (C18:1 cis9), conjugated linoleic acid (CLA cis9 trans11), vaccenic acid (C18:1 trans11...

Thermal interaction in crusted melt jets with large-scale structures

Energy Technology Data Exchange (ETDEWEB)

Sugiyama, Ken-ichiro; Sotome, Fuminori; Ishikawa, Michio [Hokkaido Univ., Sapporo (Japan). Faculty of Engineering

1998-01-01

The objective of the present study is to experimentally observe thermal interaction which would be capable of triggering due to entrainment, or entrapment in crusted melt jets with `large-scale structure`. The present experiment was carried out by dropping molten zinc and molten tin of 100 grams, of which mass was sufficient to generate large-scale structures of melt jets. The experimental results show that the thermal interaction of entrapment type occurs in molten-zinc jets with rare probability, and the thermal interaction of entrainment type occurs in molten tin jets with high probability. The difference of thermal interaction between molten zinc and molten tin may attribute to differences of kinematic viscosity and melting point between them. (author)

Nontrivial transition of transmission in a highly open quantum point contact in the quantum Hall regime

Science.gov (United States)

Hong, Changki; Park, Jinhong; Chung, Yunchul; Choi, Hyungkook; Umansky, Vladimir

2017-11-01

Transmission through a quantum point contact (QPC) in the quantum Hall regime usually exhibits multiple resonances as a function of gate voltage and high nonlinearity in bias. Such behavior is unpredictable and changes sample by sample. Here, we report the observation of a sharp transition of the transmission through an open QPC at finite bias, which was observed consistently for all the tested QPCs. It is found that the bias dependence of the transition can be fitted to the Fermi-Dirac distribution function through universal scaling. The fitted temperature matches quite nicely to the electron temperature measured via shot-noise thermometry. While the origin of the transition is unclear, we propose a phenomenological model based on our experimental results that may help to understand such a sharp transition. Similar transitions are observed in the fractional quantum Hall regime, and it is found that the temperature of the system can be measured by rescaling the quasiparticle energy with the effective charge (e*=e /3 ). We believe that the observed phenomena can be exploited as a tool for measuring the electron temperature of the system and for studying the quasiparticle charges of the fractional quantum Hall states.

Search for Pauli exclusion principle violating atomic transitions and electron decay with a p-type point contact germanium detector

Energy Technology Data Exchange (ETDEWEB)

Abgrall, N.; Bradley, A.W.; Chan, Y.D.; Mertens, S.; Poon, A.W.P. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Arnquist, I.J.; Hoppe, E.W.; Kouzes, R.T.; LaFerriere, B.D.; Orrell, J.L. [Pacific Northwest National Laboratory, Richland, WA (United States); Avignone, F.T. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); University of South Carolina, Department of Physics and Astronomy, Columbia, SC (United States); Barabash, A.S.; Konovalov, S.I.; Yumatov, V. [National Research Center ' ' Kurchatov Institute' ' Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Bertrand, F.E.; Galindo-Uribarri, A.; Radford, D.C.; Varner, R.L.; White, B.R.; Yu, C.H. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Brudanin, V.; Shirchenko, M.; Vasilyev, S.; Yakushev, E.; Zhitnikov, I. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Busch, M. [Duke University, Department of Physics, Durham, NC (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); Buuck, M.; Cuesta, C.; Detwiler, J.A.; Gruszko, J.; Guinn, I.S.; Leon, J.; Robertson, R.G.H. [University of Washington, Department of Physics, Center for Experimental Nuclear Physics and Astrophysics, Seattle, WA (United States); Caldwell, A.S.; Christofferson, C.D.; Dunagan, C.; Howard, S.; Suriano, A.M. [South Dakota School of Mines and Technology, Rapid City, SD (United States); Chu, P.H.; Elliott, S.R.; Goett, J.; Massarczyk, R.; Rielage, K. [Los Alamos National Laboratory, Los Alamos, NM (United States); Efremenko, Yu. [University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Ejiri, H. [Osaka University, Research Center for Nuclear Physics, Ibaraki, Osaka (Japan); Finnerty, P.S.; Gilliss, T.; Giovanetti, G.K.; Henning, R.; Howe, M.A.; MacMullin, J.; Meijer, S.J.; O' Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J.E.; Vorren, K.; Xu, W. [Triangle Universities Nuclear Laboratory, Durham, NC (United States); University of North Carolina, Department of Physics and Astronomy, Chapel Hill, NC (United States); Green, M.P. [North Carolina State University, Department of Physics, Raleigh, NC (United States); Oak Ridge National Laboratory, Oak Ridge, TN (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); Guiseppe, V.E.; Tedeschi, D.; Wiseman, C. [University of South Carolina, Department of Physics and Astronomy, Columbia, SC (United States); Jasinski, B.R. [University of South Dakota, Department of Physics, Vermillion, SD (United States); Keeter, K.J. [Black Hills State University, Department of Physics, Spearfish, SD (United States); Kidd, M.F. [Tennessee Tech University, Cookeville, TN (United States); Martin, R.D. [Queen' s University, Department of Physics, Engineering Physics and Astronomy, Kingston, ON (Canada); Romero-Romero, E. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Vetter, K. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); University of California, Department of Nuclear Engineering, Berkeley, CA (United States); Wilkerson, J.F. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); University of North Carolina, Department of Physics and Astronomy, Chapel Hill, NC (United States)

2016-11-15

A search for Pauli-exclusion-principle-violating K{sub α} electron transitions was performed using 89.5 kg-d of data collected with a p-type point contact high-purity germanium detector operated at the Kimballton Underground Research Facility. A lower limit on the transition lifetime of 5.8 x 10{sup 30} s at 90% C.L. was set by looking for a peak at 10.6 keV resulting from the X-ray and Auger electrons present following the transition. A similar analysis was done to look for the decay of atomic K-shell electrons into neutrinos, resulting in a lower limit of 6.8 x 10{sup 30} s at 90% C.L. It is estimated that the Majorana Demonstrator, a 44 kg array of p-type point contact detectors that will search for the neutrinoless double-beta decay of {sup 76}Ge, could improve upon these exclusion limits by an order of magnitude after three years of operation. (orig.)

Phase transitions, solubility, and crystallization kinetics of phytosterols and phytosterol-oil blends.

Science.gov (United States)

Vaikousi, Hariklia; Lazaridou, Athina; Biliaderis, Costas G; Zawistowski, Jerzy

2007-03-07

The thermal properties, solubility characteristics, and crystallization kinetics of four commercial phytosterol preparations (soy and wood sterols and stanols) and their blends with corn oil were examined. Differential scanning calorimetry (DSC) revealed narrow melting peaks between 138 and 145 degrees C for all phytosterol samples, reversible on rescan. Broader and less symmetrical melting transitions at lower temperatures with increasing oil content were observed for two samples of phytosterol-oil admixtures. The estimated, from the solubility law, deltaH values (34.7 and 70.7 mJ/mg for wood sterols and stanols, respectively), were similar to the DSC experimental data. Fatty acid esters of soy stanols differing in the chain length of the acyl groups (C2-C12) exhibited suppression of the melting point and increase of the fusion enthalpy with increasing chain length of the acyl group; the propionate ester exhibited the highest melting point (Tm: 151 degrees C) among all stanol-fatty acid esters. Solubility of phytosterols in corn oil was low (2-3% w/w at 25 degrees C) and increased slightly with a temperature rise. Plant sterols appeared more soluble than stanols with higher critical concentrations at saturation. The induction time for recrystallization of sterol-oil liquid blends, as determined by spectrophotometry, depended on the supersaturation ratio. The calculated interfacial free energies between crystalline sediments and oil were smaller for sterol samples (3.80 and 3.85 mJ/m2) than stanol mixtures (5.95 and 6.07 mJ/m2), in accord with the higher solubility of the sterol crystals in corn oil. The XRD patterns and light microscopy revealed some differences in the characteristics among the native and recrystallized in oil phytosterol preparations.

Permeability and 3-D melt geometry in shear-induced high melt fraction conduits

Science.gov (United States)

Zhu, W.; Cordonnier, B.; Qi, C.; Kohlstedt, D. L.

2017-12-01

Observations of dunite channels in ophiolites and uranium-series disequilibria in mid-ocean ridge basalt suggest that melt transport in the upper mantle beneath mid-ocean ridges is strongly channelized. Formation of high melt fraction conduits could result from mechanical shear, pyroxene dissolution, and lithological partitioning. Deformation experiments (e.g. Holtzman et al., 2003) demonstrate that shear stress causes initially homogeneously distributed melt to segregate into an array of melt-rich bands, flanked by melt-depleted regions. At the same average melt fraction, the permeability of high melt fraction conduits could be orders of magnitude higher than that of their homogenous counterparts. However, it is difficult to determine the permeability of melt-rich bands. Using X-ray synchrotron microtomography, we obtained high-resolution images of 3-dimensional (3-D) melt distribution in a partially molten rock containing shear-induced high melt fraction conduits. Sample CQ0705, an olivine-alkali basalt aggregate with a nominal melt fraction of 4%, was deformed in torsion at a temperature of 1473 K and a confining pressure of 300 MPa to a shear strain of 13.3. A sub-volume of CQ0705 encompassing 3-4 melt-rich bands was imaged. Microtomography data were reduced to binary form so that solid olivine is distinguishable from basalt glass. At a spatial resolution of 160 nm, the 3-D images reveal the shape and connectedness of melt pockets in the melt-rich bands. Thin melt channels formed at grain edges are connected at large melt nodes at grain corners. Initial data analysis shows a clear preferred orientation of melt pockets alignment subparallel to the melt-rich band. We use the experimentally determined geometrical parameters of melt topology to create a digital rock with identical 3-D microstructures. Stokes flow simulations are conducted on the digital rock to obtain the permeability tensor. Using this digital rock physics approach, we determine how deformation

Solvent Free Low-Melt Viscosity Imide Oligomers And Thermosetting Polyimide Composites

Science.gov (United States)

Chuang, CHun-Hua (Inventor)

2006-01-01

This invention relates to the composition and a solvent-free process for preparing novel imide oligomers and polymers specifically formulated with effective amounts of a dianhydride such as 2,3,3',4-biphenyltetra carboxylic dianydride (a-BPDA), at least one aromatic diamine' and an endcapped of 4-phenylethynylphthalic anhydride (PEPA) or nadic anhydride to produce imide oligomers that possess a low-melt viscosity of 1-60 poise at 260-280" C. When the imide oligomer melt is cured at about 371 C. in a press or autoclave under 100-500 psi, the melt resulted in a thermoset polyimide having a glass transition temperature (T(sub g)) equal to and above 310 C. A novel feature of this process is that the monomers; namely the dianhydrides, diamines and the endcaps, are melt processable to form imide oligomers at temperatures ranging between 232-280 C. (450-535 F) without any solvent. These low-melt imide oligomers can be easily processed by resin transfer molding (RTM), vacuum-assisted resin transfer molding (VARTM) or the resin infusion process with fiber preforms e.g. carbon, glass or quartz preforms to produce polyimide matrix composites with 288-343C (550-650 F) high temperature performance capability.

Proton NMR study of extra Virgin Olive Oil with temperature: Freezing and melting kinetics

Science.gov (United States)

Mallamace, Domenico; Longo, Sveva; Corsaro, Carmelo

2018-06-01

The thermal properties of an extra Virgin Olive Oil (eVOO) depend on its composition and indeed characterize its quality. Many studies have shown that the freezing and melting behaviors of eVOOs can serve for geographical or chemical discrimination. We use Nuclear Magnetic Resonance spectroscopy to study the evolution of the fatty acids bands as a function of temperature during freezing and melting processes. In such a way we can follow separately the variations in the thermal properties of the different molecular groups during these thermodynamic phase transitions. The data indicate that the methyl group which is at the end of every fatty chain displays the major changes during both freezing and melting processes.

Edge-melting: nanoscale key-mechanism to explain nanoparticle formation from heated TEM grids

Energy Technology Data Exchange (ETDEWEB)

Cesaria, Maura, E-mail: maura.cesaria@le.infn.it [Department of Mathematics and Physics “E. De Giorgi”, University of Salento, Via Arnesano, 73100 Lecce (Italy); Taurino, Antonietta; Catalano, Massimo [Institute for Microelectronics and Microsystems, IMM-CNR, Via Monteroni, 73100 Lecce (Italy); Caricato, Anna Paola; Martino, Maurizio [Department of Mathematics and Physics “E. De Giorgi”, University of Salento, Via Arnesano, 73100 Lecce (Italy)

2016-03-01

Graphical abstract: - Highlights: • Nanoparticle formation from metal grids explained by edge melting as key mechanism. • The inconsistency of bulk phenomenology invoking the vapor pressure is discussed. • Surface-melting and size-dependent evaporation are questioned as unsatisfactory. • Edge-melting: edges, corners, facets invoked as highly thermally unstable surfaces. • The polycrystalline nature of the really occurring metal grids is accounted for. - Abstract: In this study, we examine at both experimental and fundamental levels, the experimental evidence of nanoparticle formation in transmission electron microscopy (TEM) metal grids annealed at temperatures lower than the melting point of the corresponding metal bulk material. Our experimental investigation considers the most thermally unstable TEM grids (i.e. Cu-grids) and inspects the possible sources and mechanisms of contamination of thin films, conventionally deposited on carbon-coated Cu-grids. The investigations are supported by morphological–compositional analyses performed in different regions of the TEM sample. Then, a general model is formulated and discussed in order to explain the grid thermal instability, based on the critical role of edge-melting (i.e. melting initiated at edges and corners of the grid bars), the enhanced rate of evaporation from a liquid surface and the polycristallinity of the grid bars. Hence, we totally disregard conventional arguments such as bulk evaporation and metal vapor pressure and, in order to emphasize and clarify the alternative point of view of our model, we also overview the nano-scale melting phenomenology relevant to our discussion and survey the discrepancies reported in the literature.

Microstructure and mechanical behavior of pulsed laser surface melted AISI D2 cold work tool steel

Energy Technology Data Exchange (ETDEWEB)

Yasavol, N. [Department of Materials Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of); Abdollah-zadeh, A., E-mail: zadeh@modares.ac.ir [Department of Materials Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of); Ganjali, M. [Materials and Energy Research Center, P.O. Box 14155-4777, Karaj (Iran, Islamic Republic of); Alidokht, S.A. [Department of Materials Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of)

2013-01-15

Highlights: Black-Right-Pointing-Pointer Melted zone contained fine dendrites in the bottom and equiaxed grains on the top. Black-Right-Pointing-Pointer Microstructural refinements of PLSM led to microhardness enhancement. Black-Right-Pointing-Pointer Higher scanning rate and lower laser energy were more effective to refine the microstructure. - Abstract: D2 cold work tool steel (CWTS) was subjected to pulse laser surface melting (PLSM) at constant frequency of 20 Hz Nd: YAG laser with different energies, scanning rate and pulse durations radiated to the surface. Characterizing the PLSM, with optical and field emission scanning electron microscopy, electron backscattered diffraction and surface hardness mapping technique was used to evaluate the microhardness and mechanical behavior of different regions of melting pool. Increasing laser energy and reducing the laser scanning rate results in deeper melt pool formation. Moreover, PLSM has led to entirely dissolution of the carbides and re-solidification of cellular/dendritic structure of a fine scale surrounded by a continuous interdendritic network. This caused an increase in surface microhardness, 2-4 times over that of the base metal.

Vacuum Arc Melting Processes for Biomedical Ni-Ti Shape Memory Alloy

Directory of Open Access Journals (Sweden)

Tsai De-Chang

2015-01-01

Full Text Available This study primarily involved using a vacuum arc remelting (VAR process to prepare a nitinol shape-memory alloy with distinct ratios of alloy components (nitinol: 54.5 wt% to 57 wt%. An advantage of using the VAR process is the adoption of a water-cooled copper crucible, which effectively prevents crucible pollution and impurity infiltration. Optimising the melting production process enables control of the alloy component and facilitates a uniformly mixed compound during subsequent processing. This study involved purifying nickel and titanium and examining the characteristics of nitinol alloy after alloy melt, including its microstructure, mechanical properties, phase transition temperature, and chemical components.

FT-IR emissivity measurements of Nb melt using an electrostatic levitation furnace

International Nuclear Information System (INIS)

Sakata, K.; Watanabe, Y.; Okada, J.T.; Kumar, M.V.; Paradis, P.-F.; Ishikawa, T.

2015-01-01

Highlights: • Since molten Nb has a high melting point, its thermal properties were measured using FT-IR combined with an electrostatic levitator. • The measured ε_T of molten Nb at the melting temperature in this study was 0.29, and the C_p was calculated as 41.9 J ⋅ mol"−"1 ⋅ K"−"1. - Abstract: Total hemispherical emissivity (ε_T) and constant pressure heat capacity (C_p) of molten Nb, which has a high melting point, was measured using FT-IR combined with an electrostatic levitator. In order to heat the sample to temperatures higher than 2000 °C and avoid chemical reactions between the sample and a crucible, a containerless method was needed. By applying these methods, the measured ε_T of molten Nb at the melting temperature was 0.29, and the C_p was calculated as 41.9 J ⋅ mol"−"1 ⋅ K"−"1. Both data showed good agreement with the literature values. In addition, the result was compared with the Drude model and the difference of emissivity between Zr and Nb was discussed.

Finite element modeling of melting and fluid flow in the laser-heated diamond-anvil cell

Science.gov (United States)

Gomez-Perez, N.; Rodriguez, J. F.; McWilliams, R. S.

2017-04-01

The laser-heated diamond anvil cell is widely used in the laboratory study of materials behavior at high-pressure and high-temperature, including melting curves and liquid properties at extreme conditions. Laser heating in the diamond cell has long been associated with fluid-like motion in samples, which is routinely used to determine melting points and is often described as convective in appearance. However, the flow behavior of this system is poorly understood. A quantitative treatment of melting and flow in the laser-heated diamond anvil cell is developed here to physically relate experimental motion to properties of interest, including melting points and viscosity. Numerical finite-element models are used to characterize the temperature distribution, melting, buoyancy, and resulting natural convection in samples. We find that continuous fluid motion in experiments can be explained most readily by natural convection. Fluid velocities, peaking near values of microns per second for plausible viscosities, are sufficiently fast to be detected experimentally, lending support to the use of convective motion as a criterion for melting. Convection depends on the physical properties of the melt and the sample geometry and is too sluggish to detect for viscosities significantly above that of water at ambient conditions, implying an upper bound on the melt viscosity of about 1 mPa s when convective motion is detected. A simple analytical relationship between melt viscosity and velocity suggests that direct viscosity measurements can be made from flow speeds, given the basic thermodynamic and geometric parameters of samples are known.

Molecular dynamics simulations of nucleation and phase transitions in molecular clusters of hexafluorides

International Nuclear Information System (INIS)

Xu, S.

1993-01-01

Molecular dynamics simulations of nucleation and phase transitions in TeF 6 and SeF 6 clusters containing 100-350 molecules were carried out. Simulations successfully reproduced the crystalline structures observed in electron diffraction studies of large clusters (containing about 10 4 molecules) of the same materials. When the clusters were cooled, they spontaneously underwent the same bcc the monoclinic phase transition in simulations as in experiment, despite the million-fold difference in the time scales involved. Other transitions observed included melting and freezing. Several new techniques based on molecular translation and orientation were introduced to identify different condensed phases, to study nucleation and phase transitions, and to define characteristic temperatures of transitions. The solid-state transition temperatures decreased with cluster size in the same way as did the melting temperature, in that the depression of transition temperature was inversely proportional to the cluster radius. Rotational melting temperatures, as inferred from the rotational diffusion of molecules, coincided with those of the solid-state transition. Nucleation in liquid-solid and bcc-monoclinic transitions started in the interior of clusters on cooling, and at the surface on heating. Transition temperatures on cooling were always lower than those on heating due to the barriers to nucleation. Linear growth rates of nuclei in freezing were an order of magnitude lower than those in the bcc-monoclinic transition. Revealing evidence about the molecular behavior associated with phase changes was found. Simulations showed the formation of the actual transition complexes along the transition pathway, i.e., the critical nuclei of the new phase. These nuclei, consisting of a few dozen molecules, were distinguishable in the midst of the surrounding matter

Ferromagnetism in Fe-doped transition metal nitrides

Science.gov (United States)

Sharma, Ramesh; Sharma, Yamini

2018-04-01

Early transition metal mononitrides ScN and YN are refractory compounds with high hardness and melting points as well semiconducting properties. The presence of nitrogen vacancies in ScN/YN introduces asymmetric peaks in the density of states close to Fermi level, the same effects can be achieved by doping by Mn or Fe-atoms. Due to the substitution of TM atoms at Sc/Y sites, it was found that the p-d hybridization induces small magnetic moments at both Sc/Y and N sites giving rise to magnetic semiconductors (MS). From the calculated temperature dependent transport properties, the power factor and ZT is found to be lowered for doped ScN whereas it increases for doped YN. It is proposed that these materials have promising applications as spintronics and thermoelectric materials.

Controllable irregular melting induced by atomic segregation in bimetallic clusters with fabricating different initial configurations

International Nuclear Information System (INIS)

Li Guojian; Liu Tie; Wang Qiang; Lue Xiao; Wang Kai; He Jicheng

2010-01-01

The melting process of Co, Co-Cu and Co-Ni clusters with different initial configurations is studied in molecular dynamics by a general embedded atom method. An irregular melting, at which energy decreases as the temperature increase near the melting point, is found in the onion-like Co-Cu-Co clusters, but not in the mixed Co-Cu and onion-like Co-Ni-Co clusters. From the analysis of atomic distributions and energy variation, the results indicate the irregular melting is induced by Cu atomic segregation. Furthermore, this melting can be controlled by doping hetero atoms with different surface energies and controlling their distributions.

Shear-induced network-to-network transition in a block copolymer melt

International Nuclear Information System (INIS)

Cochran, Eric W.; Bates, Frank S.

2004-01-01

A tricontinuous (10,3)c network phase is documented in a poly(cyclohexylethylene-b-ethylethylene-b-ethylene) triblock copolymer melt based on small-angle x-ray scattering. Application of shear transforms the self-assembled soft material into a single crystal (10,3)d network while preserving the short-range threefold connector geometry. Long-range topological restructuring reduces the space group symmetry, from Fddd to Pnna, maintaining orthorhombic lattice symmetry. Both phases are stable to long time annealing, indicative of nearly degenerate free energies and prohibitive kinetic barriers

ELM-induced transient tungsten melting in the JET divertor

Science.gov (United States)

Coenen, J. W.; Arnoux, G.; Bazylev, B.; Matthews, G. F.; Autricque, A.; Balboa, I.; Clever, M.; Dejarnac, R.; Coffey, I.; Corre, Y.; Devaux, S.; Frassinetti, L.; Gauthier, E.; Horacek, J.; Jachmich, S.; Komm, M.; Knaup, M.; Krieger, K.; Marsen, S.; Meigs, A.; Mertens, Ph.; Pitts, R. A.; Puetterich, T.; Rack, M.; Stamp, M.; Sergienko, G.; Tamain, P.; Thompson, V.; Contributors, JET-EFDA

2015-02-01

The original goals of the JET ITER-like wall included the study of the impact of an all W divertor on plasma operation (Coenen et al 2013 Nucl. Fusion 53 073043) and fuel retention (Brezinsek et al 2013 Nucl. Fusion 53 083023). ITER has recently decided to install a full-tungsten (W) divertor from the start of operations. One of the key inputs required in support of this decision was the study of the possibility of W melting and melt splashing during transients. Damage of this type can lead to modifications of surface topology which could lead to higher disruption frequency or compromise subsequent plasma operation. Although every effort will be made to avoid leading edges, ITER plasma stored energies are sufficient that transients can drive shallow melting on the top surfaces of components. JET is able to produce ELMs large enough to allow access to transient melting in a regime of relevance to ITER. Transient W melt experiments were performed in JET using a dedicated divertor module and a sequence of IP = 3.0 MA/BT = 2.9 T H-mode pulses with an input power of PIN = 23 MW, a stored energy of ˜6 MJ and regular type I ELMs at ΔWELM = 0.3 MJ and fELM ˜ 30 Hz. By moving the outer strike point onto a dedicated leading edge in the W divertor the base temperature was raised within ˜1 s to a level allowing transient, ELM-driven melting during the subsequent 0.5 s. Such ELMs (δW ˜ 300 kJ per ELM) are comparable to mitigated ELMs expected in ITER (Pitts et al 2011 J. Nucl. Mater. 415 (Suppl.) S957-64). Although significant material losses in terms of ejections into the plasma were not observed, there is indirect evidence that some small droplets (˜80 µm) were released. Almost 1 mm (˜6 mm3) of W was moved by ˜150 ELMs within 7 subsequent discharges. The impact on the main plasma parameters was minor and no disruptions occurred. The W-melt gradually moved along the leading edge towards the high-field side, driven by j × B forces. The evaporation rate determined

Coercivity enhancement of NdFeB sintered magnets by low melting point Dy{sub 32.5}Fe{sub 62}Cu{sub 5.5} alloy modification

Energy Technology Data Exchange (ETDEWEB)

Liang, Liping; Ma, Tianyu, E-mail: maty@zju.edu.cn; Zhang, Pei; Jin, Jiaying; Yan, Mi, E-mail: mse_yanmi@zju.edu.cn

2014-04-15

To improve coercivity without sacrificing other magnetic performance of NdFeB sintered magnets, a low melting point Dy{sub 32.5}Fe{sub 62}Cu{sub 5.5} alloy was introduced as an intergranular additive. Magnetic properties and microstructure of the magnets with different Dy{sub 32.5}Fe{sub 62}Cu{sub 5.5} contents were studied. At the optimum addition of 3 wt%, coercivity H{sub cj} was enhanced from 12.7 to 15.2 kOe, the maximum magnetic energy product (BH){sub max} was simultaneously increased from 46.6 to 47.8 MG Oe, accompanied by a slight reduction in remanence B{sub r}. Further investigation on microstructure and grain boundary composition indicated that the enhanced H{sub cj} and (BH){sub max} could be attributed to the refined and uniform 2:14:1 phase grains, continuous grain boundaries and a (Nd,Dy){sub 2}Fe{sub 14}B hardening shell surrounding the 2:14:1 phase grains. - Highlights: • Low melting-point Dy{sub 32.5}Fe{sub 62}Cu{sub 5.5} alloy was introduced to NdFeB magnets. • The doped magnet exhibits enhanced coercivity and maximum energy product. • (Nd,Dy){sub 2}Fe{sub 14}B shell was expected to form in the surface of Nd{sub 2}Fe{sub 14}B grains. • The continuous grain boundary layer formed between neighboring Nd{sub 2}Fe{sub 14}B grains.

AsS melt under pressure: one substance, three liquids.

Science.gov (United States)

Brazhkin, V V; Katayama, Y; Kondrin, M V; Hattori, T; Lyapin, A G; Saitoh, H

2008-04-11

An in situ high-temperature--high-pressure study of liquid chalcogenide AsS by x-ray diffraction, resistivity measurements, and quenching from melt is presented. The obtained data provide direct evidence for the existence in the melt under compression of two transformations: one is from a moderate-viscosity molecular liquid to a high-viscosity nonmetallic polymerized liquid at P approximately 1.6-2.2 GPa; the other is from the latter to a low-viscosity metallic liquid at P approximately 4.6-4.8 GPa. Upon rapid cooling, molecular and metallic liquids crystallize to normal and high-pressure phases, respectively, while a polymerized liquid is easily quenched to a new AsS glass. General aspects of multiple phase transitions in liquid AsS, including relations to the phase diagram of the respective crystalline, are discussed.

Ocean stratification reduces melt rates at the grounding zone of the Ross Ice Shelf

Science.gov (United States)

Begeman, C. B.; Tulaczyk, S. M.; Marsh, O.; Mikucki, J.; Stanton, T. P.; Hodson, T. O.; Siegfried, M. R.; Powell, R. D.; Christianson, K. A.; King, M. A.

2017-12-01

Ocean-driven melting of ice shelves is often invoked as the primary mechanism for triggering ice loss from Antarctica. However, due to the difficulty in accessing the sub-ice-shelf ocean cavity, the relationship between ice-shelf melt rates and ocean conditions is poorly understood, particularly near the transition from grounded to floating ice, known as the grounding zone. Here we present the first borehole oceanographic observations from the grounding zone of Antarctica's largest ice shelf. Contrary to predictions that tidal currents near grounding zones should mix the water column, driving high ice-shelf melt rates, we find a stratified sub-ice-shelf water column. The vertical salinity gradient dominates stratification over a weakly unstable vertical temperature gradient; thus, stratification takes the form of a double-diffusive staircase. These conditions limit vertical heat fluxes and lead to low melt rates in the ice-shelf grounding zone. While modern grounding zone melt rates may presently be overestimated in models that assume efficient tidal mixing, the high sensitivity of double-diffusive staircases to ocean freshening and warming suggests future melt rates may be underestimated, biasing projections of global sea-level rise.

Neutralization of Hydroxide Ion in Melt-Grown NaCl Crystals

Science.gov (United States)

Otterson, Dumas A.

1961-01-01

Many recent studies of solid-state phenomena, particularly in the area of crystal imperfections, have involved the use of melt-grown NaCl single crystals. Quite often trace impurities in these materials have had a prominent effect on these phenomena. Trace amounts of hydroxide ion have been found in melt-grown NaCl crystals. This paper describes a nondestructive method of neutralizing the hydroxide ion in such crystals. Crystals of similar hydroxide content are maintained at an elevated temperature below the melting point of NaCl in a flowing atmosphere containing. dry hydrogen chloride. Heat treatment is continued until an analysis of the test specimens shows no excess hydroxide ion. A colorimetric method previously described4 is used for this analysis.

Sound dispersion in a spin-1 Ising system near the second-order phase transition point

International Nuclear Information System (INIS)

Erdem, Ryza; Keskin, Mustafa

2003-01-01

Sound dispersion relation is derived for a spin-1 Ising system and its behaviour near the second-order phase transition point or the critical point is analyzed. The method used is a combination of molecular field approximation and Onsager theory of irreversible thermodynamics. If we assume a linear coupling of sound wave with the order parameter fluctuations in the system, we find that the dispersion which is the relative sound velocity change with frequency behaves as ω 0 ε 0 , where ω is the sound frequency and ε the temperature distance from the critical point. In the ordered region, one also observes a frequency-dependent velocity or dispersion minimum which is shifted from the corresponding attenuation maxima. These phenomena are in good agreement with the calculations of sound velocity in other magnetic systems such as magnetic metals, magnetic insulators, and magnetic semiconductors

Evaluating the Sensitivity of Glacial Isostatic Adjustment to a Hydrous Melt at 410 km Depth

Science.gov (United States)

Hill, A. M.; Milne, G. A.; Ranalli, G.

2017-12-01

We present a sensitivity analysis aimed at testing whether observables related to GIA can support or refute the existence of a low viscosity partial melt layer located above the mantle transition zone, as required by the so-called "Transition Zone Water Filter" model (Bercovici and Karato 2003). In total, 400 model runs were performed sampling a range of melt layer thicknesses (1, 10 & 20 km) and viscosities (1015 - 1019 Pas) as well as plausible viscosity values in the upper and lower mantle. Comparing model output of postglacial decay times and j2, 18 of the considered viscosity models were found to be compatible with all of the observational constraints. Amongst these, only three `background' upper and lower mantle viscosities are permitted regardless of the properties of the melt layer: an upper mantle value of 3×1020 Pas and lower mantle values of 1022, 3×1022 and 5×1022 Pas. Concerning the properties of the melt layer itself, a thin (1 km) layer may have any of the investigated viscosities (1015 to 1019 Pas). For thicker melt layers, the viscosity must be ≥1018 Pas (20 km) or ≥1017 Pas (10 km). Our results indicate clear parameter trade-offs between the properties of the melt layer and the background viscosity structure. Given that the observations permit several values of lower mantle viscosity, we conclude that tightening constraints on this parameter would be valuable for future investigation of the type presented here. Furthermore, while decay times from both locations considered in this investigation (Ångerman River, Sweden; Richmond Gulf, Canada) offer meaningful constraints on viscosity structure, the value for Richmond Gulf is significantly more uncertain and so increasing its precision would likely result in improved viscosity constraints.

Estimation of structural strength of 38KhN3MFA steel, melted using different methods

International Nuclear Information System (INIS)

Kudrya, A.V.; Mochalov, B.V.; Fadeev, Yu.I.

1982-01-01

Quantity of steel melted by different methods using criteria of fracture mechanics is evaluated. Three technological variants of the 38KhN3MFA steel melting: acid Martin steel prepared by the duplex-process (melt 1); the main Martin steel melting with deoxidation and alloying in a ladle by liquid alloy and treatment with synthetic slag with argon purging after production (melt 2) and its electroslag remelt - ESP process (melt 3) are investigated. The analysis of the investigated melts has revealed that crack resistances of the acid Martin steel is higher than that of other melts at practically similar standard mechanical properties with 0.35 probability at 0.05 significance level in the low-tempered state; in the tempered state the best crack resistance is observed in the ESP main Martin steel. Metal of the main Martin melting has lower crack resistance as compared with other meltings at both strength levels. The results of the work point out the necessity of applying the criteria of fracture mechanics for obtaining an objective evaluation of the steel quality

Determination of the solid-liquid-vapor triple point pressure of carbon

International Nuclear Information System (INIS)

Haaland, D.M.

1976-01-01

A detailed experimental study of the triple point pressure of carbon using laser heating techniques has been completed. Uncertainties and conflict in previous investigations have been addressed and substantial data presented which places the solid-liquid-vapor carbon triple point at 107 +- 2 atmospheres. This is in agreement with most investigations which have located the triple point pressure between 100 and 120 atmospheres, but is in disagreement with recent low pressure carbon experiments. The absence of any significant polymorphs of carbon other than graphite suggests that the graphite-liquid-vapor triple point has been measured. Graphite samples were melted in a pressure vessel using a 400 W Nd:YAG continuous-wave laser focused to a maximum power density of approximately 80 kW/cm 2 . Melt was confirmed by detailed microstructure analysis and x-ray diffraction of the recrystallized graphite. Experiments to determine the minimum melt pressure of carbon were completed as a function of sample size, type of inert gas, and laser power density to asure that laser power densities were sufficient to produce melt at the triple point pressure of carbon, and the pressure of carbon at the surface of the sample was identical to the measured pressure of the inert gas in the pressure vessel. High-speed color cinematography of the carbon heating revealed the presence of a laser-generated vapor or particle plume in front of the sample. The existence of this bright plume pevented the measurement of the carbon triple point temperature

Phase transitions in surfactant monolayers

International Nuclear Information System (INIS)

Casson, B.D.

1998-01-01

Two-dimensional phase transitions have been studied in surfactant monolayers at the air/water interface by sum-frequency spectroscopy and ellipsometry. In equilibrium monolayers of medium-chain alcohols C n H 2n+1 OH (n = 9-14) a transition from a two-dimensional crystalline phase to a liquid was observed at temperatures above the bulk melting point. The small population of gauche defects in the solid phase increased only slightly at the phase transition. A model of the hydrocarbon chains as freely rotating rigid rods allowed the area per molecule and chain tilt in the liquid phase to be determined. The area per molecule, chain tilt and density of the liquid phase all increased with increasing chain length, but for each chain length the density was higher than in a bulk liquid hydrocarbon. In a monolayer of decanol adsorbed at the air/water interface a transition from a two-dimensional liquid to a gas was observed. A clear discontinuity in the coefficient of ellipticity as a function of temperature showed that the transition is first-order. This result suggests that liquid-gas phase transitions in surfactant monolayers may be more widespread than once thought. A solid-liquid phase transition has also been studied in mixed monolayers of dodecanol with an anionic surfactant (sodium dodecyl sulphate) and with a homologous series of cationic surfactants (alkyltrimethylammonium bromides: C n TABs, n = 12, 14, 16). The composition and structure of the mixed monolayers was studied above and below the phase transition. At low temperatures the mixed monolayers were as densely packed as a monolayer of pure dodecanol in its solid phase. At a fixed temperature the monolayers under-went a first-order phase transition to form a phase that was less dense and more conformationally disordered. The proportion of ionic surfactant in the mixed monolayer was greatest in the high temperature phase. As the chain length of the C n TAB increased the number of conformational defects

Evaluation of Melt Behavior with initial Melt Velocity under SFR Severe Accidents

Energy Technology Data Exchange (ETDEWEB)

Heo, Hyo; Bang, In Cheol [UNIST, Ulsan (Korea, Republic of); Jerng, Dong Wook [Chung-Ang Univ, Seoul (Korea, Republic of)

2015-10-15

In the current Korean sodium-cooled fast reactor (SFR) program, early dispersion of the molten metallic fuel within a subchannel is suggested as one of the inherent safety strategies for the initiating phase of hypothetical core disruptive accident (HCDA). The safety strategy provides negative reactivity driven by the melt dispersal, so it could reduce the possibility of the recriticality event under a severe triple or more fault scenario for SFR. Since the behavior of the melt dispersion is unpredictable, it depends on the accident condition, particularly core region. While the voided coolant channel region is usually developed in the inner core, the unvoided coolant channel region is formed in the outer core. It is important to confirm the fuel dispersion with the core region, but there are not sufficient existing studies for them. From the existing studies, the coolant vapor pressure is considered as one of driving force to move the melt towards outside of the core. There is a complexity of the phenomena during intermixing of the melt with the coolant after the horizontal melt injections. It is too difficult to understand the several combined mechanisms related to the melt dispersion and the fragmentation. Thus, it could be worthwhile to study the horizontal melt injections at lower temperature as a preliminary study in order to identify the melt dispersion phenomena. For this reason, it is required to clarify whether the coolant vapor pressure is the driving force of the melt dispersion with the core region. The specific conditions to be well dispersed for the molten metallic fuel were discussed in the experiments with the simulant materials. The each melt behavior was compared to evaluate the melt dispersion under the coolant void condition and the boiling condition. As the results, the following results are remarked: 1. The upward melt dispersion did not occur for a given melt and coolant temperature in the nonboiling range. Over current range of conditions

Evaluation of Melt Behavior with initial Melt Velocity under SFR Severe Accidents

International Nuclear Information System (INIS)

Heo, Hyo; Bang, In Cheol; Jerng, Dong Wook

2015-01-01

In the current Korean sodium-cooled fast reactor (SFR) program, early dispersion of the molten metallic fuel within a subchannel is suggested as one of the inherent safety strategies for the initiating phase of hypothetical core disruptive accident (HCDA). The safety strategy provides negative reactivity driven by the melt dispersal, so it could reduce the possibility of the recriticality event under a severe triple or more fault scenario for SFR. Since the behavior of the melt dispersion is unpredictable, it depends on the accident condition, particularly core region. While the voided coolant channel region is usually developed in the inner core, the unvoided coolant channel region is formed in the outer core. It is important to confirm the fuel dispersion with the core region, but there are not sufficient existing studies for them. From the existing studies, the coolant vapor pressure is considered as one of driving force to move the melt towards outside of the core. There is a complexity of the phenomena during intermixing of the melt with the coolant after the horizontal melt injections. It is too difficult to understand the several combined mechanisms related to the melt dispersion and the fragmentation. Thus, it could be worthwhile to study the horizontal melt injections at lower temperature as a preliminary study in order to identify the melt dispersion phenomena. For this reason, it is required to clarify whether the coolant vapor pressure is the driving force of the melt dispersion with the core region. The specific conditions to be well dispersed for the molten metallic fuel were discussed in the experiments with the simulant materials. The each melt behavior was compared to evaluate the melt dispersion under the coolant void condition and the boiling condition. As the results, the following results are remarked: 1. The upward melt dispersion did not occur for a given melt and coolant temperature in the nonboiling range. Over current range of conditions

Unconventional Quantum Critical Points

OpenAIRE

Xu, Cenke

2012-01-01

In this paper we review the theory of unconventional quantum critical points that are beyond the Landau's paradigm. Three types of unconventional quantum critical points will be discussed: (1). The transition between topological order and semiclassical spin ordered phase; (2). The transition between topological order and valence bond solid phase; (3). The direct second order transition between different competing orders. We focus on the field theory and universality class of these unconventio...

Modeling spatial variability of sand-lenses in clay till settings using transition probability and multiple-point geostatistics

DEFF Research Database (Denmark)

Kessler, Timo Christian; Nilsson, Bertel; Klint, Knud Erik

2010-01-01

(TPROGS) of alternating geological facies. The second method, multiple-point statistics, uses training images to estimate the conditional probability of sand-lenses at a certain location. Both methods respect field observations such as local stratigraphy, however, only the multiple-point statistics can...... of sand-lenses in clay till. Sand-lenses mainly account for horizontal transport and are prioritised in this study. Based on field observations, the distribution has been modeled using two different geostatistical approaches. One method uses a Markov chain model calculating the transition probabilities...

Low-field dc magnetization investigations in a Bi2Sr2CaCu2O8 single crystal: observation of a magnetic phase transition at the vortex melting line

International Nuclear Information System (INIS)

Revaz, B.; Triscone, G.; Fabrega, L.; Junod, A.; Muller, J.

1996-01-01

The mixed-state magnetization M(H parallel c, T) of a Bi-2212 single crystal has been investigated with high resolution using a SQUID magnetometer. In the high-temperature region (50 K c = 80.2 K), we found that the slope ∂M/∂H vertical stroke T vs. H shows a positive step at H trans (T) ∼ H 0 x (1 - T/T c ) n with H 0 = 2340 Oe and n = 1.28. This observation is compatible with a first-order phase transition with a distribution of internal fields, and is attributed to the melting of the 3D vortex lattice. The estimated entropy jump is 1 k B /vortex/layer CuO. However, when T is lower than 50 K, we observe radical changes in M(H); the 3D melting line divides into a decoupling line at a temperature-independent field and the onset of the irreversibility. (orig.)