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

Full Text Available The complex process of melting in the Earth's interior is studied by combining a multiphase numerical flow model with the program AlphaMELTS which provides a petrological description based on thermodynamic principles. The objective is to address the fundamental question of the effect of the mantle and melt dynamics on the composition and abundance of the melt and the residual solid. The conceptual idea is based on a 1-D description of the melting process that develops along an ideal vertical column where local chemical equilibrium is assumed to apply at some level in space and time. By coupling together the transport model and the chemical thermodynamic model, the evolution of the melting process can be described in terms of melt distribution, temperature, pressure and solid and melt velocities but also variation of melt and residual solid composition and mineralogical abundance at any depth over time. In this first installment of a series of three contributions, a two-phase flow model (melt and solid assemblage is developed under the assumption of complete local equilibrium between melt and a peridotitic mantle (dynamic equilibrium melting, DEM. The solid mantle is also assumed to be completely dry. The present study addresses some but not all the potential factors affecting the melting process. The influence of permeability and viscosity of the solid matrix are considered in some detail. The essential features of the dynamic model and how it is interfaced with AlphaMELTS are clearly outlined. A detailed and explicit description of the numerical procedure should make this type of numerical models less obscure. The general observation that can be made from the outcome of several simulations carried out for this work is that the melt composition varies with depth, however the melt abundance not necessarily always increases moving upwards. When a quasi-steady state condition is achieved, that is when melt abundance does not varies significantly

Melting method for radioactive solid wastes and device therefor

Energy Technology Data Exchange (ETDEWEB)

Komatsu, Masahiko; Abe, Takashi; Nakayama, Junpei; Kusamichi, Tatsuhiko; Sakamoto, Koichi

1998-11-17

Upon melting radioactive solid wastes mixed with radioactive metal wastes and non metal materials such as concrete by cold crucible high frequency induction heating, induction coils are wound around the outer circumference of a copper crucible having a water cooling structure to which radioactive solid wastes are charged. A heating sleeve formed by a material which generates heat by an induction heating function of graphite is disposed to the inside of the crucible at a height not in contact with molten metals in the crucible vertically movably. Radioactive solid wastes are melted collectively by the induction heat of the induction coils and thermal radiation and heat conduction of the heating sleeve heated by the induction heat. With such procedures, non metal materials such as concrete and radioactive metal wastes in a mixed state can be melt collectively continuously highly economically. (T.M.)

Transport mechanisms and wetting dynamics in molecularly thin films of long-chain alkanes at solid/vapour interface : relation to the solid-liquid phase transition

OpenAIRE

Lazar, Paul

2005-01-01

Wetting and phase transitions play a very important role our daily life. Molecularly thin films of long-chain alkanes at solid/vapour interfaces (e.g. C30H62 on silicon wafers) are very good model systems for studying the relation between wetting behaviour and (bulk) phase transitions. Immediately above the bulk melting temperature the alkanes wet partially the surface (drops). In this temperature range the substrate surface is covered with a molecularly thin ordered, solid-like alkane film (...

Non-planar ABJ theory and parity

International Nuclear Information System (INIS)

Caputa, Pawel; Kristjansen, Charlotte; Zoubos, Konstantinos

2009-01-01

While the ABJ Chern-Simons-matter theory and its string theory dual manifestly lack parity invariance, no sign of parity violation has so far been observed on the weak coupling spin chain side. In particular, the planar two-loop dilatation generator of ABJ theory is parity invariant. In this Letter we derive the non-planar part of the two-loop dilatation generator of ABJ theory in its SU(2)xSU(2) sub-sector. Applying the dilatation generator to short operators, we explicitly demonstrate that, for operators carrying excitations on both spin chains, the non-planar part breaks parity invariance. For operators with only one type of excitation, however, parity remains conserved at the non-planar level. We furthermore observe that, as for ABJM theory, the degeneracy between planar parity pairs is lifted when non-planar corrections are taken into account.

Non-planar ABJ Theory and Parity

DEFF Research Database (Denmark)

Caputa, Pawel; Kristjansen, Charlotte; Zoubos, Konstantinos

2009-01-01

we derive the non-planar part of the two-loop dilatation generator of ABJ theory in its SU(2)xSU(2) sub-sector. Applying the dilatation generator to short operators, we explicitly demonstrate that, for operators carrying excitations on both spin chains, the non-planar part breaks parity invariance......While the ABJ Chern-Simons-matter theory and its string theory dual manifestly lack parity invariance, no sign of parity violation has so far been observed on the weak coupling spin chain side. In particular, the planar two-loop dilatation generator of ABJ theory is parity invariant. In this letter....... For operators with only one type of excitation, however, parity remains conserved at the non-planar level. We furthermore observe that, as for ABJM theory, the degeneracy between planar parity pairs is lifted when non-planar corrections are taken into account....

Adhesion promotion at a homopolymer-solid interface using random heteropolymers

Science.gov (United States)

Simmons, Edward Read; Chakraborty, Arup K.

1998-11-01

We investigate the potential uses for random heteropolymers (RHPs) as adhesion promoters between a homopolymer melt and a solid surface. We consider homopolymers of monomer (segment) type A which are naturally repelled from a solid surface. To this system we add RHPs with both A and B (attractive to the surface) type monomers to promote adhesion between the two incompatible substrates. We employ Monte Carlo simulations to investigate the effects of variations in the sequence statistics of the RHPs, amount of promoter added, and strength of the segment-segment and segment-surface interaction parameters. Clearly, the parameter space in such a system is quite large, but we are able to describe, in a qualitative manner, the optimal parameters for adhesion promotion. The optimal set of parameters yield interfacial conformational statistics for the RHPs which have a relatively high adsorbed fraction and also long loops extending away from the surface that promote entanglements with the bulk homopolymer melt. In addition, we present qualitative evidence that the concentration of RHP segments per surface site plays an important role in determining the mechanism of failure (cohesive versus adhesive) at such an interface. Our results also provide the necessary input for future simulations in which the system may be strained to the limit of fracture.

Friction mechanisms and interfacial slip at fluid-solid interfaces

CERN Document Server

Leger, L

2003-01-01

We present series of experiments based on near field laser velocimetry, developed to characterize the friction mechanisms at fluid-solid interfaces. For polymers, entangled polymer melts are sheared against smooth solid surfaces, covered by surface attached polymer chains of the same chemical species, having a controlled surface density. Direct measurements of the interfacial velocity and of the shear force allow identification of the molecular mechanisms of friction. Depending on the value of the inverse of the shear rate experienced by the polymer compared to the reptation time, the transition between a regime of high and a regime of low friction observed when increasing the shear rate can be related to disentanglement or to the extraction of the surface chains from the bulk polymer. Surfaces with adjusted friction properties can thus be designed by choosing chain anchored length and surface density. For simple fluids, the direct measurements of the interfacial velocity show that, contrary to the usual hypo...

Atomic simulations for configurations and solid-liquid interface of Li-Fe and Li-Cu icosahedra

Energy Technology Data Exchange (ETDEWEB)

Yang, Jianyu, E-mail: hnieyjy@aliyun.com [Hunan Institute of Engineering (China); Hu, Wangyu [Hunan University, College of Materials Science and Engineering (China); Dai, Xiongying [Hunan Institute of Engineering, College of Science (China)

2017-04-15

The melting point of Li is lower than that of Fe (or Cu); thus, solid-liquid interfaces can be easily formed on Li-Fe and Li-Cu nanoalloys. In this work, the configurations and solid-liquid interfaces of Li-Fe and Li-Cu icosahedra are studied using Monte Carlo and molecular dynamics methods. The atomic interactions are described by the analytic embedded-atom method. The dependence of composition, temperature, and nanoparticle size on the configurations and thermal stabilities of nanoalloys is discussed. The behavior of the Li-Fe and Li-Cu nanoalloys in segregation, configuration, and thermal stability is investigated. A different behavior of surface segregation of Li atoms is observed for the two types of nanoalloys. The interface between the Li and Fe atoms is clear. Mixing of Li with Cu at larger nanoparticle sizes is found because of low heat of formation in the system. The configurations of the Li-Fe and Li-Cu nanoalloys are related to the competition between surface segregation and alloying. The thermal stability of Li in the two types of nanoalloys is enhanced by the support of the Fe (or Cu) solid substrate.

A solid-on-solid invasion percolation model for self-affine interfaces

International Nuclear Information System (INIS)

Arizmendi, C.M.; Martin, H.O.; Sanchez, J.R.

1993-08-01

The scaling properties of the interface of a new growth model are studied. The model is based on the standard invasion percolation without trapping in which the solid-on-solid condition is imposed. The local correlation between points of the interface can be controlled through a parameter. The self-affine properties of the interface show strong dependence on the existence of the local correlation. The dependence of the relevant exponents of the interface with the correlation is analysed. (author). 8 refs, 4 figs

Role of anisotropy in determining stability of electrodeposition at solid-solid interfaces

Science.gov (United States)

Ahmad, Zeeshan; Viswanathan, Venkatasubramanian

2017-10-01

We investigate the stability of electrodeposition at solid-solid interfaces for materials exhibiting an anisotropic mechanical response. The stability of electrodeposition or resistance to the formation of dendrites is studied within a linear stability analysis. The deformation and stress equations are solved using the Stroh formalism and faithfully recover the boundary conditions at the interface. The stability parameter is used to quantify the stability of different solid-solid interfaces incorporating the full anisotropy of the elastic tensor of the two materials. Results show a high degree of variability in the stability parameter depending on the crystallographic orientation of the solids in contact, and point to opportunities for exploiting this effect in developing Li metal anodes.

Melting point of yttria

International Nuclear Information System (INIS)

Skaggs, S.R.

1977-06-01

Fourteen samples of 99.999 percent Y 2 O 3 were melted near the focus of a 250-W CO 2 laser. The average value of the observed melting point along the solid-liquid interface was 2462 +- 19 0 C. Several of these same samples were then melted in ultrahigh-purity oxygen, nitrogen, helium, or argon and in water vapor. No change in the observed temperature was detected, with the exception of a 20 0 C increase in temperature from air to helium gas. Post test examination of the sample characteristics, clarity, sphericity, and density is presented, along with composition. It is suggested that yttria is superior to alumina as a secondary melting-point standard

A continuum treatment of sliding in Eulerian simulations of solid-solid and solid-fluid interfaces

Science.gov (United States)

Subramaniam, Akshay; Ghaisas, Niranjan; Lele, Sanjiva

2017-11-01

A novel treatment of sliding is developed for use in an Eulerian framework for simulating elastic-plastic deformations of solids coupled with fluids. In this method, embedded interfacial boundary conditions for perfect sliding are imposed by enforcing the interface normal to be a principal direction of the Cauchy stress and appropriate consistency conditions ensure correct transmission and reflection of waves at the interface. This sliding treatment may be used either to simulate a solid-solid sliding interface or to incorporate an internal slip boundary condition at a solid-fluid interface. Sliding laws like the Coulomb friction law can also be incorporated with relative ease into this framework. Simulations of sliding interfaces are conducted using a 10th order compact finite difference scheme and a Localized Artificial Diffusivity (LAD) scheme for shock and interface capturing. 1D and 2D simulations are used to assess the accuracy of the sliding treatment. The Richmyer-Meshkov instability between copper and aluminum is simulated with this sliding treatment as a demonstration test case. Support for this work was provided through Grant B612155 from the Lawrence Livermore National Laboratory, US Department of Energy.

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.

Introduction to optical methods for characterizing liquid crystals at interfaces.

Science.gov (United States)

Miller, Daniel S; Carlton, Rebecca J; Mushenheim, Peter C; Abbott, Nicholas L

2013-03-12

This Instructional Review describes methods and underlying principles that can be used to characterize both the orientations assumed spontaneously by liquid crystals (LCs) at interfaces and the strength with which the LCs are held in those orientations (so-called anchoring energies). The application of these methods to several different classes of LC interfaces is described, including solid and aqueous interfaces as well as planar and nonplanar interfaces (such as those that define a LC-in-water emulsion droplet). These methods, which enable fundamental studies of the ordering of LCs at polymeric, chemically functionalized, and biomolecular interfaces, are described in this Instructional Review on a level that can be easily understood by a nonexpert reader such as an undergraduate or graduate student. We focus on optical methods because they are based on instrumentation that is found widely in research and teaching laboratories.

Separation of primary solid phases from Al-Si alloy melts

Directory of Open Access Journals (Sweden)

Ki Young Kim

2014-07-01

Full Text Available The iron-rich solids formed during solidification of Al-Si alloys which are known to be detrimental to the mechanical, physical and chemical properties of the alloys should be removed. On the other hand, Al-Si hypereutectic alloys are used to extract the pure primary silicon which is suitable for photovoltaic cells in the solvent refining process. One of the important issues in iron removal and in solvent refining is the effective separation of the crystallized solids from the Al-Si alloy melts. This paper describes the separation methods of the primary solids from Al-Si alloy melts such as sedimentation, draining, filtration, electromagnetic separation and centrifugal separation, focused on the iron removal and on the separation of silicon in the solvent refining process.

Effect of re-melting on particle distribution and interface formation in SiC reinforced 2124Al matrix composite

Energy Technology Data Exchange (ETDEWEB)

Mandal, Durbadal, E-mail: durbadal73@yahoo.co.in [MEF Division, CSIR-National Metallurgical Laboratory, Jamshedpur 831007 (India); Viswanathan, Srinath [Dept of Metallurgical and Materials Engineering, University of Alabama, Tuscaloosa, AL (United States)

2013-12-15

The interface between metal matrix and ceramic reinforcement particles plays an important role in improving properties of the metal matrix composites. Hence, it is important to find out the interface structure of composite after re-melting. In the present investigation, the 2124Al matrix with 10 wt.% SiC particle reinforced composite was re-melted at 800 °C and 900 °C for 10 min followed by pouring into a permanent mould. The microstructures reveal that the SiC particles are distributed throughout the Al-matrix. The volume fraction of SiC particles varies from top to bottom of the composite plate and the difference increases with the decrease of re-melting temperature. The interfacial structure of re-melted 2124Al–10 wt.%SiC composite was investigated using scanning electron microscopy, an electron probe micro-analyzer, a scanning transmission electron detector fitted with scanning electron microscopy and an X-ray energy dispersive spectrometer. It is found that a thick layer of reaction product is formed at the interface of composite after re-melting. The experimental results show that the reaction products at the interface are associated with high concentration of Cu, Mg, Si and C. At re-melting temperature, liquid Al reacts with SiC to form Al{sub 4}C{sub 3} and Al–Si eutectic phase or elemental Si at the interface. High concentration of Si at the interface indicates that SiC is dissociated during re-melting. The X-ray energy dispersive spectrometer analyses confirm that Mg- and Cu-enrich phases are formed at the interface region. The Mg is segregated at the interface region and formed MgAl{sub 2}O{sub 4} in the presence of oxygen. The several elements identified at the interface region indicate that different types of interfaces are formed in between Al matrix and SiC particles. The Al–Si eutectic phase is formed around SiC particles during re-melting which restricts the SiC dissolution. - Highlights: • Re-melted composite shows homogeneous particle

Experimental investigation of interface conditions between oxidic melt and ablating concrete during MCCI by means of simulating material experiments: the Artemis program

International Nuclear Information System (INIS)

Veteau, J.M.

2005-01-01

Full text of publication follows: In the frame work of R and D on Severe Accidents in PWR plants, an estimation by codes of time of basemat melt-through by Corium is required. For this, the heat flux distribution along the cavity wall must be properly modelled. Hence the knowledge of the heat transfer coefficient as well as the temperature at the interface between the melt and the solid become key issues. Phase diagram of the melt and composition governs the interface temperature which controls, at least partly, the thickness of the Corium crust formed on the molten concrete. Crust behaviour (time evolution of thickness, mechanical interaction with gas) implies a release mode of molten concrete in Corium which in turn alters the melt composition. Clearly, the molten corium-concrete interaction (MCCI) phenomenon is the result of a strong coupling between physico-chemistry and thermohydraulics. The main goal of the first test series of the Artemis program is to make a link between the interface temperature and the physico-chemistry of the melt (phase diagram) through tests conducted with simulating materials and to provide an insight on the existence, the behaviour and the composition of the crust. This test series considers 1D MCCI using a non eutectic LiCl-BaCl 2 mixture poured at 1000 deg. C in a cylindrical test section (internal diameter 0.3 m) to interact with the 0.35 m deep basemat made of the same salt mixture at the eutectic composition. This 'concrete' was especially manufactured with sintered granulates to allow gas flow from the bottom (argon), then simulating gas released by concrete in the reactor case. Constant power is applied in the pool with an helical coil and 1D MCCI is ensured by counterbalancing heat losses by controlled heating at the lateral walls and at the top of the test section. Concrete ablation is followed from the output of 45 0.5 mm diameter thermocouples. An instrumented rod periodically investigates the temperature and the position

Yangian-type symmetries of non-planar leading singularities

Energy Technology Data Exchange (ETDEWEB)

Frassek, Rouven [Department of Mathematical Sciences, Durham University,South Road, Durham DH1 3LE (United Kingdom); Meidinger, David [Institut für Mathematik und Institut für Physik, Humboldt-Universität zu Berlin,Zum Großen Windkanal 6, 12489 Berlin (Germany)

2016-05-18

We take up the study of integrable structures behind non-planar contributions to scattering amplitudes in N = 4 super Yang-Mills theory. Focusing on leading singularities, we derive the action of the Yangian generators on color-ordered subsets of the external states. Each subset corresponds to a single boundary of the non-planar on-shell diagram. While Yangian invariance is broken, we find that higher-level Yangian generators still annihilate the non-planar on-shell diagram. For a given diagram, the number of these generators is governed by the degree of non-planarity. Furthermore, we present additional identities involving integrable transfer matrices. In particular, for diagrams on a cylinder we obtain a conservation rule similar to the Yangian invariance condition of planar on-shell diagrams. To exemplify our results, we consider a five-point MHV on-shell function on a cylinder.

Development of high-frequency induction melting system for radioactive solid wastes

International Nuclear Information System (INIS)

Kawaguchi, Ichiro; Yamazaki, Seichiro; Takahashi, Noriaki; Kugai, Katsutoshi; Yokozawa, Minoru

2004-01-01

Kawasaki Heavy Industries, Ltd. developed an active insulation (AI) method radiofrequency melting system as a new melting treatment system of radioactive solid wastes and proved production of waste satisfied the treatment performances and burying by repeating many practical melting tests. The melting vessel uses a low-priced ceramic canister with nonelectrical conductivity, which is able to treat wastes with large amount of inorganic substances. The wastes melted in the canister is taken out the canister itself from radiofrequency melting reactor and solidified after cooling. The cool canister is stored in 2001 metal drum filling up a gap with mortal for laying underground. New radiofrequency melting reactor, 1/3 scale melting test, estimation of scale effects, melting tests for practical use and the total system are explained. (S.Y.)

Stability of Electrodeposition at Solid-Solid Interfaces and Implications for Metal Anodes

Science.gov (United States)

Ahmad, Zeeshan; Viswanathan, Venkatasubramanian

2017-08-01

We generalize the conditions for stable electrodeposition at isotropic solid-solid interfaces using a kinetic model which incorporates the effects of stresses and surface tension at the interface. We develop a stability diagram that shows two regimes of stability: a previously known pressure-driven mechanism and a new density-driven stability mechanism that is governed by the relative density of metal in the two phases. We show that inorganic solids and solid polymers generally do not lead to stable electrodeposition, and provide design guidelines for achieving stable electrodeposition.

Radial restricted solid-on-solid and etching interface-growth models

Science.gov (United States)

Alves, Sidiney G.

2018-03-01

An approach to generate radial interfaces is presented. A radial network recursively obtained is used to implement discrete model rules designed originally for the investigation in flat substrates. I used the restricted solid-on-solid and etching models as to test the proposed scheme. The results indicate the Kardar, Parisi, and Zhang conjecture is completely verified leading to a good agreement between the interface radius fluctuation distribution and the Gaussian unitary ensemble. The evolution of the radius agrees well with the generalized conjecture, and the two-point correlation function exhibits also a good agreement with the covariance of the Airy2 process. The approach can be used to investigate radial interfaces evolution for many other classes of universality.

Systems and methods for monitoring a solid-liquid interface

Science.gov (United States)

Stoddard, Nathan G; Lewis, Monte A.; Clark, Roger F

2013-06-11

Systems and methods are provided for monitoring a solid-liquid interface during a casting process. The systems and methods enable determination of the location of a solid-liquid interface during the casting process.

Development of a Marine Propeller With Nonplanar Lifting Surfaces

DEFF Research Database (Denmark)

Andersen, Poul; Friesch, Jürgen; Kappel, Jens J.

2005-01-01

The principle of non-planar lifting surfaces is applied to the design of modern aircraft wings to obtain better lift to drag ratios. Whereas a pronounced fin or winglet at the wingtip has been developed for aircraft, the application of the nonplanar principle to marine propellers, dealt...... with in this paper, has led to the KAPPEL propeller with blades curved toward the suction side integrating the fin or winglet into the propeller blade. The combined theoretical, experimental, and practical approach to develop and design marine propellers with nonplanar lifting surfaces has resulted in propellers...

Role of fluttering dislocations in the thermal interface resistance between a silicon crystal and plastic solid 4He

Science.gov (United States)

Amrit, Jay; Ramiere, Aymeric; Volz, Sebastian

2018-01-01

A quantum solid (solid 4He) in contact with a classical solid defines a new class of interfaces. In addition to its quantum nature, solid 4He is indeed a very plastic medium. We examine the thermal interface resistance upon solidification of superfluid 4He in contact with a silicon crystal surface (111) and show that dislocations play a crucial role in the thermal interface transport. The growth of solid 4He and the measurements are conducted at the minimum of the melting curve of helium (0.778 K and ˜25 bar ). The results display a first-order transition in the Kapitza resistance from a value of RK ,L=(80 ±8 ) c m2K /W at a pressure of 24.5 bar to a value of RK ,S=(41.7 ±8 ) c m2K /W after the formation of solid helium at ˜25.2 bar . The drop in RK ,S is only of a factor of ˜2 , although transverse phonon modes in solid 4He now participate in heat transmission at the interface. We provide an explanation for the measured RK ,S by considering the interaction of thermal phonons with vibrating dislocations in solid 4He. We demonstrate that this mechanism, also called fluttering, induces a thermal resistance RF l∝NdT-6 , where T is the temperature and Nd is the density of dislocations. We estimate that for dislocation densities on the order of ˜107c m-2 , RF l predominates over the boundary resistance RK ,S. These fundamental findings shed light on the role of dislocations and provide a quantitative explanation for previous experiments which showed no measurable change in the Kapitza resistance between Cu and superfluid 4He upon solidification of the latter. This demonstrates the possibility of using dislocations as an additional means to tailor thermal resistances at interfaces, formed especially with a plastic material.

Experimental investigation of interface conditions between oxidic melt and ablating concrete during MCCI by means of simulating material experiments: the Artemis program

Energy Technology Data Exchange (ETDEWEB)

Veteau, J.M. [Commissariat a l' Energie Atomique, DEN/DTN/SE2T/LPTM, 17 rue des Martyrs 38 - Grenoble cedex 9 (France)

2005-07-01

Full text of publication follows: In the frame work of R and D on Severe Accidents in PWR plants, an estimation by codes of time of basemat melt-through by Corium is required. For this, the heat flux distribution along the cavity wall must be properly modelled. Hence the knowledge of the heat transfer coefficient as well as the temperature at the interface between the melt and the solid become key issues. Phase diagram of the melt and composition governs the interface temperature which controls, at least partly, the thickness of the Corium crust formed on the molten concrete. Crust behaviour (time evolution of thickness, mechanical interaction with gas) implies a release mode of molten concrete in Corium which in turn alters the melt composition. Clearly, the molten corium-concrete interaction (MCCI) phenomenon is the result of a strong coupling between physico-chemistry and thermohydraulics. The main goal of the first test series of the Artemis program is to make a link between the interface temperature and the physico-chemistry of the melt (phase diagram) through tests conducted with simulating materials and to provide an insight on the existence, the behaviour and the composition of the crust. This test series considers 1D MCCI using a non eutectic LiCl-BaCl{sub 2} mixture poured at 1000 deg. C in a cylindrical test section (internal diameter 0.3 m) to interact with the 0.35 m deep basemat made of the same salt mixture at the eutectic composition. This 'concrete' was especially manufactured with sintered granulates to allow gas flow from the bottom (argon), then simulating gas released by concrete in the reactor case. Constant power is applied in the pool with an helical coil and 1D MCCI is ensured by counterbalancing heat losses by controlled heating at the lateral walls and at the top of the test section. Concrete ablation is followed from the output of 45 0.5 mm diameter thermocouples. An instrumented rod periodically investigates the temperature

Transire, a Program for Generating Solid-State Interface Structures

Science.gov (United States)

2017-09-14

ARL-TR-8134 ● SEP 2017 US Army Research Laboratory Transire, a Program for Generating Solid-State Interface Structures by...Program for Generating Solid-State Interface Structures by Caleb M Carlin and Berend C Rinderspacher Weapons and Materials Research Directorate, ARL...

Melting phenomenon and laser annealing in semiconductors

International Nuclear Information System (INIS)

Narayan, J.

1981-03-01

The work on annealing of displacement damage, dissolution of boron precipitates, and the broadening of dopant profiles in semiconductors after treating with ruby and dye laser pulses is reviewed in order to provide convincing evidence for the melting phenomenon and illustrate the mechanism associated with laser annealing. The nature of the solid-liquid interface and the interface instability during rapid solidification is considered in detail. It is shown that solute concentrations after pulsed laser annealing can far exceed retrograde maxima values. However, there is a critical solute concentration above which a planar solid-liquid interface becomes unstable and breaks into a cellular structure. The solute concentrations and cell sizes associated with this instability are calculated using a perturbation theory, and compared with experimental results

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

Energy Technology Data Exchange (ETDEWEB)

Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Schulze, T. P., E-mail: schulze@math.utk.edu [Department of Mathematics, University of Tennessee, Knoxville, Tennessee 37996-1300 (United States); Hendy, S. C. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6140 (New Zealand); Department of Physics, University of Auckland, Auckland 1010 (New Zealand)

2014-02-21

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

International Nuclear Information System (INIS)

Schebarchov, D.; Schulze, T. P.; Hendy, S. C.

2014-01-01

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level

Basal melting driven by turbulent thermal convection

Science.gov (United States)

Rabbanipour Esfahani, Babak; Hirata, Silvia C.; Berti, Stefano; Calzavarini, Enrico

2018-05-01

Melting and, conversely, solidification processes in the presence of convection are key to many geophysical problems. An essential question related to these phenomena concerns the estimation of the (time-evolving) melting rate, which is tightly connected to the turbulent convective dynamics in the bulk of the melt fluid and the heat transfer at the liquid-solid interface. In this work, we consider a convective-melting model, constructed as a generalization of the Rayleigh-Bénard system, accounting for the basal melting of a solid. As the change of phase proceeds, a fluid layer grows at the heated bottom of the system and eventually reaches a turbulent convection state. By means of extensive lattice-Boltzmann numerical simulations employing an enthalpy formulation of the governing equations, we explore the model dynamics in two- and three-dimensional configurations. The focus of the analysis is on the scaling of global quantities like the heat flux and the kinetic energy with the Rayleigh number, as well as on the interface morphology and the effects of space dimensionality. Independently of dimensionality, we find that the convective-melting system behavior shares strong resemblances with that of the Rayleigh-Bénard one, and that the heat flux is only weakly enhanced with respect to that case. Such similarities are understood, at least to some extent, considering the resulting slow motion of the melting front (with respect to the turbulent fluid velocity fluctuations) and its generally little roughness (compared to the height of the fluid layer). Varying the Stefan number, accounting for the thermodynamical properties of the material, also seems to have only a mild effect, which implies the possibility of extrapolating results in numerically delicate low-Stefan setups from more convenient high-Stefan ones. Finally, we discuss the implications of our findings for the geophysically relevant problem of modeling Arctic ice melt ponds.

Forced convective melting at an evolving ice-water interface

Science.gov (United States)

Ramudu, Eshwan; Hirsh, Benjamin; Olson, Peter; Gnanadesikan, Anand

2015-11-01

The intrusion of warm Circumpolar Deep Water into the ocean cavity between the base of ice shelves and the sea bed in Antarctica causes melting at the ice shelves' basal surface, producing a turbulent melt plume. We conduct a series of laboratory experiments to investigate how the presence of forced convection (turbulent mixing) changes the delivery of heat to the ice-water interface. We also develop a theoretical model for the heat balance of the system that can be used to predict the change in ice thickness with time. In cases of turbulent mixing, the heat balance includes a term for turbulent heat transfer that depends on the friction velocity and an empirical coefficient. We obtain a new value for this coefficient by comparing the modeled ice thickness against measurements from a set of nine experiments covering one order of magnitude of Reynolds numbers. Our results are consistent with the altimetry-inferred melting rate under Antarctic ice shelves and can be used in climate models to predict their disintegration. This work was supported by NSF grant EAR-110371.

Instructional Review: An Introduction to Optical Methods for Characterizing Liquid Crystals at Interfaces

Science.gov (United States)

Miller, Daniel S.; Carlton, Rebecca J.; Mushenheim, Peter C.; Abbott, Nicholas L.

2013-01-01

This Instructional Review describes methods and underlying principles that can be used to characterize both the orientations assumed spontaneously by liquid crystals (LCs) at interfaces and the strength with which the LCs are held in those orientations (so-called anchoring energies). The application of these methods to several different classes of LC interfaces is described, including solid and aqueous interfaces as well as planar and non-planar interfaces (such as those that define a LC-in-water emulsion droplet). These methods, which enable fundamental studies of the ordering of LCs at polymeric, chemically-functionalized and biomolecular interfaces, are described in this article at a level that can be easily understood by a non-expert reader such as an undergraduate or graduate student. We focus on optical methods because they are based on instrumentation that is found widely in research and teaching laboratories. PMID:23347378

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.

Thermal transport across solid-solid interfaces enhanced by pre-interface isotope-phonon scattering

Science.gov (United States)

Lee, Eungkyu; Luo, Tengfei

2018-01-01

Thermal transport across solid interfaces can play critical roles in the thermal management of electronics. In this letter, we use non-equilibrium molecular dynamics simulations to investigate the isotope effect on the thermal transport across SiC/GaN interfaces. It is found that engineered isotopes (e.g., 10% 15N or 71Ga) in the GaN layer can increase the interfacial thermal conductance compared to the isotopically pure case by as much as 23%. Different isotope doping features, such as the isotope concentration, skin depth of the isotope region, and its distance from the interface, are investigated, and all of them lead to increases in thermal conductance. Studies of spectral temperatures of phonon modes indicate that interfacial thermal transport due to low-frequency phonons (transport. This work may provide insights into interfacial thermal transport and useful guidance to practical material design.

Atomistic Simulation of Interfaces in Materials of Solid State Ionics

Science.gov (United States)

Ivanov-Schitz, A. K.; Mazo, G. N.

2018-01-01

The possibilities of describing correctly interfaces of different types in solids within a computer experiment using molecular statics simulation, molecular dynamics simulation, and quantum chemical calculations are discussed. Heterophase boundaries of various types, including grain boundaries and solid electrolyte‒solid electrolyte and ionic conductor‒electrode material interfaces, are considered. Specific microstructural features and mechanisms of the ion transport in real heterophase structures (cationic conductor‒metal anode and anionic conductor‒cathode) existing in solid state ionics devices (such as solid-state batteries and fuel cells) are discussed.

Melting of superheated molecular crystals

Science.gov (United States)

Cubeta, Ulyana; Bhattacharya, Deepanjan; Sadtchenko, Vlad

2017-07-01

Melting dynamics of micrometer scale, polycrystalline samples of isobutane, dimethyl ether, methyl benzene, and 2-propanol were investigated by fast scanning calorimetry. When films are superheated with rates in excess of 105 K s-1, the melting process follows zero-order, Arrhenius-like kinetics until approximately half of the sample has transformed. Such kinetics strongly imply that melting progresses into the bulk via a rapidly moving solid-liquid interface that is likely to originate at the sample's surface. Remarkably, the apparent activation energies for the phase transformation are large; all exceed the enthalpy of vaporization of each compound and some exceed it by an order of magnitude. In fact, we find that the crystalline melting kinetics are comparable to the kinetics of dielectric α-relaxation in deeply supercooled liquids. Based on these observations, we conclude that the rate of non-isothermal melting for superheated, low-molecular-weight crystals is limited by constituent diffusion into an abnormally dense, glass-like, non-crystalline phase.

Coupled Fluid-Solid Interaction Under Shock Wave Loading: Part II - Dynamic Interfaces

Energy Technology Data Exchange (ETDEWEB)

Tipton, David Gregory [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Christon, Mark Allen [CTO Offce, Dassault Systµemes SIMULIA, Providence, RI (United States); Ingber, Marc Stuart [Univ. of New Mexico, Albuquerque, NM (United States). Department of Mechanical Engineering

2009-07-01

This article is the second of two that consider the treatment of fluid-solid interaction problems where the solid experiences wave loading and large bulk Lagrangian displacements. In part-I, we presented the formulation for the edge-based unstructured-grid Euler solver in the context of a discontinuous- Galerkin framework with the extensions used to treat internal fluid-solid interfaces. A super-sampled L² projection was used to construct level-set data from the Lagrangian interface, and a narrow-band approach was used to identify and construct appropriate ghost data and boundary conditions at the fluid-solid interface. A series of benchmark problems were used to verify the treatment of the fluid-solid interface conditions with a static interface position. In this paper, we consider the treatment of dynamic interfaces and the associated large bulk Lagrangian displacements of the solid.We present the coupled dynamic fluid-solid system, and develop an explicit, monolithic treatment of the fully-coupled system. The conditions associated with moving interfaces and their implementation are discussed. A comparison of moving vs. fixed reference frames is used to verify the dynamic interface treatment. Lastly, a series of two and and three-dimensional projectile and shock-body interaction calculations are presented. Ultimately, the use of the Lagrangian interface position and a super-sampled projection for fast level-set construction, the narrow-band extraction of ghost data, and monolithic explicit solution algorithm has proved to be a computationally efficient means for treating shock induced fluid-solid interaction problems.

Influence of crystal–melt interface shape on self-seeding and single ...

Indian Academy of Sciences (India)

Unknown

Self-seeding; orientation; interface shape; antimonide crystals; VDS technique. 1. Introduction ... fundamental characteristics of source materials, various crystal growth models ... to the temperature 50°C above the melting temperature of the crystals ..... Gadkari D B, Lal K B, Shah A P and Arora B M 1997 J. Cryst. Growth 173 ...

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.

Dendrite Array Disruption by Bubbles during Re-melting in a Microgravity Environment

Science.gov (United States)

Grugel, Richard N.

2012-01-01

As part of the Pore Formation and Mobility Investigation (PFMI), Succinonitrile Water alloys consisting of aligned dendritic arrays were re-melted prior to conducting directional solidification experiments in the microgravity environment aboard the International Space Station. Thermocapillary convection initiated by bubbles at the solid-liquid interface during controlled melt back of the alloy was observed to disrupt the initial dendritic alignment. Disruption ranged from detaching large arrays to the transport of small dendrite fragments at the interface. The role of bubble size and origin is discussed along with subsequent consequences upon reinitiating controlled solidification.

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.

Integrated Interface Strategy toward Room Temperature Solid-State Lithium Batteries.

Science.gov (United States)

Ju, Jiangwei; Wang, Yantao; Chen, Bingbing; Ma, Jun; Dong, Shanmu; Chai, Jingchao; Qu, Hongtao; Cui, Longfei; Wu, Xiuxiu; Cui, Guanglei

2018-04-25

Solid-state lithium batteries have drawn wide attention to address the safety issues of power batteries. However, the development of solid-state lithium batteries is substantially limited by the poor electrochemical performances originating from the rigid interface between solid electrodes and solid-state electrolytes. In this work, a composite of poly(vinyl carbonate) and Li 10 SnP 2 S 12 solid-state electrolyte is fabricated successfully via in situ polymerization to improve the rigid interface issues. The composite electrolyte presents a considerable room temperature conductivity of 0.2 mS cm -1 , an electrochemical window exceeding 4.5 V, and a Li + transport number of 0.6. It is demonstrated that solid-state lithium metal battery of LiFe 0.2 Mn 0.8 PO 4 (LFMP)/composite electrolyte/Li can deliver a high capacity of 130 mA h g -1 with considerable capacity retention of 88% and Coulombic efficiency of exceeding 99% after 140 cycles at the rate of 0.5 C at room temperature. The superior electrochemical performance can be ascribed to the good compatibility of the composite electrolyte with Li metal and the integrated compatible interface between solid electrodes and the composite electrolyte engineered by in situ polymerization, which leads to a significant interfacial impedance decrease from 1292 to 213 Ω cm 2 in solid-state Li-Li symmetrical cells. This work provides vital reference for improving the interface compatibility for room temperature solid-state lithium batteries.

Formation mechanism for the nanoscale amorphous interface in pulse-welded Al/Fe bimetallic systems

International Nuclear Information System (INIS)

Li, Jingjing; Yu, Qian; Zhang, Zijiao; Xu, Wei; Sun, Xin

2016-01-01

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed in the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the subsequent recrystallization occurred on the aluminum side of the interface.

Formation mechanism for the nanoscale amorphous interface in pulse-welded Al/Fe bimetallic systems

Energy Technology Data Exchange (ETDEWEB)

Li, Jingjing [Department of Mechanical Engineering, The University of Hawaii at Manoa, Honolulu, Hawaii 96822 (United States); Yu, Qian; Zhang, Zijiao [Department of Materials Science and Engineering, Center for Electron Microscope, Zhejiang University, Hangzhou 310027 (China); Xu, Wei; Sun, Xin, E-mail: xin.sun@pnnl.gov [Pacific Northwest National Laboratory, Richland, Washington 99354 (United States)

2016-05-16

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed in the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the subsequent recrystallization occurred on the aluminum side of the interface.

Enzyme Activity and Biomolecule Templating at Liquid and Solid Interfaces

Energy Technology Data Exchange (ETDEWEB)

Harvey W. Blanch

2004-12-01

There are two main components of this research program. The first involves studies of the adsorption and catalytic activity of proteins at fluid-fluid and fluid-solid interfaces; the second employs biological macromolecules as templates at the solid-liquid interface for controlled crystallization of inorganic materials, to provide materials with specific functionality.

Transient refractory material dissolution by a volumetrically-heated melt

Energy Technology Data Exchange (ETDEWEB)

Seiler, Jean Marie, E-mail: jean-marie.seiler@cea.fr [CEA, DEN, DTN, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Ratel, Gilles [CEA, DEN, DTN, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Combeau, Hervé [Institut Jean Lamour, UMR 7198, Lorraine University, Ecole des Mines de Nancy, Parc de Saurupt, 54042 Nancy Cedex (France); Gaus-Liu, Xiaoyang; Kretzschmar, Frank; Miassoedov, Alexei [Karlsruhe Institut of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2014-12-15

Highlights: • We describe a test investigating ceramic dissolution by a molten non-eutectic melt. • The evolution of the interface temperature between melt and refractory is measured. • A theoretical model describing dissolution kinetics is proposed. • When dissolution stops, interface temperature is the liquidus temperature of the melt. - Abstract: The present work addresses the question of corium–ceramic interaction in a core catcher during a core-melt accident in a nuclear power plant. It provides an original insight into transient aspects concerning dissolution of refractory material by a volumetrically heated pool. An experiment with simulant material (LIVECERAM) is presented. Test results clearly show that dissolution of solid refractory material can occur in a non-eutectic melt at a temperature which is lower than the melting temperature of the refractory material. During the dissolution transient, the interface temperature rises above the liquidus temperature, corresponding to the instantaneous average composition of the melt pool. With constant power dissipation in the melt and external cooling of the core-catcher, a final steady-state situation is reached. Dissolution stops when the heat flux (delivered by the melt to the refractory) can be removed by conduction through the residual thickness of the ceramic, with T{sub interface} = T{sub liquidus} (calculated for the average composition of the final liquid pool). The final steady state corresponds to a uniform pool composition and uniform interface temperature distribution. Convection in the pool is governed by natural thermal convection and the heat flux distribution is therefore similar to what would be obtained for a single component pool. An interpretation of the experiment with two model-based approaches (0D and 1D) is presented. The mass transfer kinetics between the interface and the bulk is controlled by a diffusion sublayer within the boundary layer. During the dissolution transient

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.

Development of MHI's induction melting system for low level radio active solid waste treatment

International Nuclear Information System (INIS)

Murakami, Tadashi; Hashiba, Kenji; Fukui, Hiroshi; Sato, Akio; Minemoto, Masaki

1999-01-01

Mitsubishi Heavy Industries, Ltd., (MHI) has developed melting facilities that reduce radioactive waste volume. The system uses a high-frequency induction to separately melt nonmetallic waste in SUS containers and metallic waste. Use of system extends refractory life. To validate system feasibility, major components were tested with the following results: (1) Two 200-liter drum cans of molten solid waste are produced per work day, (2) Radioactivity in molten solid was homogeneous with a coefficient of variation ≤10%, clarifying residue properties, (3) The radioactive decontamination factor of off-gas facilities --DF=Activity to system/Activity at the system exit --exceeded 10 7 . We confirmed system to fill the requirements for molten solid waste and have the merit of high volume-reduction and long-life refractory. (author)

Heat-transfer resistance at solid-liquid interfaces: a tool for the detection of single-nucleotide polymorphisms in DNA.

Science.gov (United States)

van Grinsven, Bart; Vanden Bon, Natalie; Strauven, Hannelore; Grieten, Lars; Murib, Mohammed; Monroy, Kathia L Jiménez; Janssens, Stoffel D; Haenen, Ken; Schöning, Michael J; Vermeeren, Veronique; Ameloot, Marcel; Michiels, Luc; Thoelen, Ronald; De Ceuninck, Ward; Wagner, Patrick

2012-03-27

In this article, we report on the heat-transfer resistance at interfaces as a novel, denaturation-based method to detect single-nucleotide polymorphisms in DNA. We observed that a molecular brush of double-stranded DNA grafted onto synthetic diamond surfaces does not notably affect the heat-transfer resistance at the solid-to-liquid interface. In contrast to this, molecular brushes of single-stranded DNA cause, surprisingly, a substantially higher heat-transfer resistance and behave like a thermally insulating layer. This effect can be utilized to identify ds-DNA melting temperatures via the switching from low- to high heat-transfer resistance. The melting temperatures identified with this method for different DNA duplexes (29 base pairs without and with built-in mutations) correlate nicely with data calculated by modeling. The method is fast, label-free (without the need for fluorescent or radioactive markers), allows for repetitive measurements, and can also be extended toward array formats. Reference measurements by confocal fluorescence microscopy and impedance spectroscopy confirm that the switching of heat-transfer resistance upon denaturation is indeed related to the thermal on-chip denaturation of DNA. © 2012 American Chemical Society

Fluid-mechanic/thermal interaction of a molten material and a decomposing solid

International Nuclear Information System (INIS)

Larson, D.W.; Lee, D.O.

1976-12-01

Bench-scale experiments of a molten material in contact with a decomposing solid were conducted to gain insight into the expected interaction of a hot, molten reactor core with a concrete base. The results indicate that either of two regimes can occur: violent agitation and splattering of the melt or a very quiescent settling of the melt when placed in contact with the solid. The two regimes appear to be governed by the interface temperature condition. A conduction heat transfer model predicts the critical interface temperature with reasonable accuracy. In addition, a film thermal resistance model correlates well with the data in predicting the time for a solid skin to form on the molten material

Interface Shape and Convection During Solidification and Melting of Succinonitrile

Science.gov (United States)

Degroh, Henry C., III; Lindstrom, Tiffany

1994-01-01

An experimental study was conducted of the crystal growth of succinonitrile during solidification, melting, and no-growth conditions using a horizontal Bridgman furnace and square glass ampoule. For use as input boundary conditions to numerical codes, thermal profiles on the outside of the ampoule at five locations around its periphery were measured along the ampoule's length. Temperatures inside the ampoule were also measured. The shapes of the s/l interface in various two dimensional planes were quantitatively determined. Though interfaces were nondendritic and noncellular, they were not flat, but were highly curved and symmetric in only one unique longitudinal y-z plane (at x=O). The shapes of the interface were dominated by the primary longitudinal flow cell characteristic of shallow cavity flow in horizontal Bridgman; this flow cell was driven by the imposed furnace temperature gradient and caused a 'radical' thermal gradient such that the upper half of the ampoule was hotter than the bottom half. We believe that due to the strong convection, the release of latent heat does not significantly influence the thermal conditions near the interface. We hope that the interface shape and thermal data presented in this paper can be used to optimize crystal growth processes and validate numerical models.

A Microsoft Excel interface for rhyolite-MELTS: a tool for research and teaching of magma properties and evolution

Science.gov (United States)

Gualda, G. A.; Ghiorso, M. S.

2013-12-01

The thermodynamic modeling software MELTS (and its derivatives) is a powerful and much utilized tool for investigating crystallization and melting in natural magmatic systems. Rhyolite-MELTS (Gualda et al. 2012, J. Petrol. 53:875-890) is a recent recalibration of MELTS aimed at better capturing the evolution of magmas present in the upper crust (up to ~400 MPa pressure). Currently, most users of rhyolite-MELTS rely on a graphical user interface (GUI), which can be run on UNIX/LINUX and Mac OS X computers. While the interface is powerful and flexible, it can be somewhat cumbersome for the novice and the output is in the form of text files that need to be processed offline. This situation is probably the main reason why MELTS - despite great potential - has not been used more frequently for teaching purposes. We are currently developing an alternative GUI for rhyolite-MELTS using web services consumed by a VBA backend in Microsoft Excel©. The goal is to create a much more interactive tool, that is easy to use that can be made available to a widespread audience, and that will be useful for both research and teaching. The interface is contained within a macro-enabled workbook, which includes editable cells where the user can insert the model input information. Interface buttons initiate computations that are executed on a central server at OFM Research in Seattle (WA). Results of simple calculations are shown immediately within the interface itself. For instance, a user can very rapidly determine the temperature at which a magma of a given composition is completely molten (i.e. find the liquidus); or determine which phases are present, in what abundances, their compositions, and their physical properties (e.g. density, viscosity) at any given combination of temperature, pressure and oxygen fugacity. We expect that using the interface in this mode will greatly facilitate building intuition about magmas and their properties. It is also possible to combine a sequence of

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.

Scattering Of Nonplanar Acoustic Waves

Science.gov (United States)

Gillman, Judith M.; Farassat, F.; Myers, M. K.

1995-01-01

Report presents theoretical study of scattering of nonplanar acoustic waves by rigid bodies. Study performed as part of effort to develop means of predicting scattering, from aircraft fuselages, of noise made by rotating blades. Basic approach was to model acoustic scattering by use of boundary integral equation to solve equation by the Galerkin method.

Modeling the electrified solid-liquid interface

DEFF Research Database (Denmark)

Rossmeisl, Jan; Skulason, Egill; Björketun, Mårten

2008-01-01

function can be related directly to the potential scale of the normal hydrogen electrode. We also show how finite-size effects in common periodic slab-type calculations can be avoided in calculations of activation energies and reaction energies for charge transfer reactions, where we use the Heyrovsky......A detailed atomistic model based on density functional theory calculations is presented of the charged solid-electrolyte interface. Having protons solvated in a water bilayer outside a Pt(111) slab with excess electrons, we show how the interface capacitance is well described and how the work...

Nonplanar spiral states of the t-J model with classical spins

International Nuclear Information System (INIS)

Hamada, M.; Shimahara, H.; Mori, H.

1995-01-01

The spiral state in the two-dimensional t-J model is studied by numerical diagonalization of an effective Hamiltonian. We examine all possibilities of the spiral spin states including the nonplanar states. It is found that nonplanar spiral states occur, but the deviations from the planar spiral state in the nonplanar spiral states are small for small hole concentrations where our effective Hamiltonian is valid. The modulation of the spin configuration increases continuously from the antiferromagnetic order as the hole concentration increases, and discontinuously changes at a critical hole concentration. Then the state undergoes the first-order phase transition either to the (π,0) phase or to the ferromagnetic phase, depending on the value of J/t

1-Dimensional Analysis of Ultrasound at Closed Interface of Solid

International Nuclear Information System (INIS)

Yamawaki, H

2014-01-01

As a first step to investigate mechanism of nonlinear ultrasonic generation at closed cracks, computer simulation for ultrasonic propagation in 1 -dimensional solid including closed interface was examined using Improved-FDM. Fundamental calculation model which described interaction between open / closure motion of the interface and ultrasonic stress was developed. In the model, compression stress is distributed over the entire solid, as motive force for closure of the interface. The interface is exhibited by the small region, and its open / closure are determined using calculated strain of the region. As a result, motion of the interface causing generation of saw-tooth like displacement waveform was observed. Amplitude modulation of displacement waveform was also observed, and it indicated possibility that small fluctuation of open / closure timing caused the modulation of the amplitude

KAPPEL Propeller. Development of a Marine Propeller with Non-planar Lifting Surfaces

DEFF Research Database (Denmark)

Kappel, J.; Andersen, Poul

2002-01-01

The principle of non-planar lifting surfaces is applied to the design of modern aircraft wings to obtain better lift to drag ratios. Whereas a pronounced fin or "winglet" at the wingtip has been developed for aircraft, the application of the non-planar principle to marine propellers, dealt...... with in this paper, has led to the KAPPEL propeller with blades curved towards the suction side integrating the fin or winglet into the propeller blade. The combined theoretical, experimental and practical approach to develop and design marine propellers with non-planar lifting surfaces has resulted in propellers...

Chemistry and physics at liquid alkali metal/solid metal interfaces

International Nuclear Information System (INIS)

Barker, M.G.

1977-01-01

This paper describes the chemistry of processes which take place at the interface between liquid alkali metals and solid metal surfaces. A brief review of wetting data for liquid sodium is given and the significance of critical wetting temperatures discussed on the basis of an oxide-film reduction mechanism. The reactions of metal oxides with liquid metals are outlined and a correlation with wetting data established. The transfer of dissolved species from the liquid metal across the interface to form solid phases on the solid metal surface is well recognised. The principal features of such processes are described and a simple thermodynamic explanation is outlined. The reverse process, the removal of solid material into solution, is also considered. (author)

Observation of an Aligned Gas - Solid "Eutectic" during Controlled Directional Solidification Aboard the International Space Station - Comparison with Ground-based Studies

Science.gov (United States)

Grugel, R. N.; Anilkumar, A.

2005-01-01

Direct observation of the controlled melting and solidification of succinonitrile was conducted in the glovebox facility of the International Space Station (ISS). The experimental samples were prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with pure succinonitrile (SCN) in an atmosphere of nitrogen at 450 millibar pressure for eventual processing in the Pore Formation and Mobility Investigation (PFMI) apparatus in the glovebox facility (GBX) on board the ISS. Real time visualization during controlled directional melt back of the sample showed nitrogen bubbles emerging from the interface and moving through the liquid up the imposed temperature gradient. Over a period of time these bubbles disappear by dissolving into the melt. Translation is stopped after melting back of about 9 cm of the sample, with an equilibrium solid-liquid interface established. During controlled re-solidification, aligned tubes of gas were seen growing perpendicular to the planar solid/liquid interface, inferring that the nitrogen previously dissolved into the liquid SCN was now coming out at the solid/liquid interface and forming the little studied liquid = solid + gas eutectic-type reaction. The observed structure is evaluated in terms of spacing dimensions, interface undercooling, and mechanisms for spacing adjustments. Finally, the significance of processing in a microgravity environment is ascertained in view of ground-based results.

A plasma melting system for solid radioactive waste

International Nuclear Information System (INIS)

Higashi, Yasuo; Sugimoto, Masahiko; Fujitomi, Masashi; Noura, Tsuyoshi

2003-01-01

Kobe Steel has developed a plasma melting system for the volume reduction and stabilization of solid radioactive wastes such as concrete, insulation, filters, glass, sand etc. The main features of the system are as follows. (1) Non-transfer air plasma torches: 1.3 MW x 2 (2) Treatment capacity: 2 tons/batch (3) Waste feed: 200 liter drums (4) Tapping method: furnace tilting (5) Molten slag cooling: in the system's chambers. In this paper, an outline of the system and its first-run performance results are described. (author)

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.

Microstructural evolution and thixoformability of semi-solid aluminum 319s alloy during re-melting

International Nuclear Information System (INIS)

Hu, X.G.; Zhu, Q.; Lu, H.X.; Zhang, F.; Li, D.Q.; Midson, S.P.

2015-01-01

The aim of this paper is to characterize both microstructural evolution and thixoformability during partial melting of semi-solid 319s alloy. The thixoformability criteria of 319s was initially investigated by thermodynamic analysis. In-situ observation of partial re-melting was performed by a Confocal Laser Scanning Microscope to determine the effect of heating rate on melting characteristics. Meanwhile, the microstructural evolution of 319s alloy at extremely low heating rate was also investigated in order to understand the mechanism of re-melting process. The studies demonstrated that 319s alloy is suitable for thixocasting because of the controllable liquid fraction in the operating window of 15 °C. The process window was effected by both temperature and heating time. The primary particles evolution in 319s alloy can be divided into four stages, and the coarsening rate during isothermal test is 227 μm 3 /s. The effective method to obtain desirable microstructure is to manage the time in the semi-solid state by controlling heating rate and soaking time. - Highlights: • The thixoformability of 319s is discussed by using SPSC and thermodynamic analysis. • The re-melting processes at different heating rate are in-situ observed. • We identified the four stages of microstructural evolution during re-melting. • The coarsening rate K for 319s during isothermal test is identified. • The variation tendency of Si particle size with increasing time is reported

3D-Printing Electrolytes for Solid-State Batteries.

Science.gov (United States)

McOwen, Dennis W; Xu, Shaomao; Gong, Yunhui; Wen, Yang; Godbey, Griffin L; Gritton, Jack E; Hamann, Tanner R; Dai, Jiaqi; Hitz, Gregory T; Hu, Liangbing; Wachsman, Eric D

2018-05-01

Solid-state batteries have many enticing advantages in terms of safety and stability, but the solid electrolytes upon which these batteries are based typically lead to high cell resistance. Both components of the resistance (interfacial, due to poor contact with electrolytes, and bulk, due to a thick electrolyte) are a result of the rudimentary manufacturing capabilities that exist for solid-state electrolytes. In general, solid electrolytes are studied as flat pellets with planar interfaces, which minimizes interfacial contact area. Here, multiple ink formulations are developed that enable 3D printing of unique solid electrolyte microstructures with varying properties. These inks are used to 3D-print a variety of patterns, which are then sintered to reveal thin, nonplanar, intricate architectures composed only of Li 7 La 3 Zr 2 O 12 solid electrolyte. Using these 3D-printing ink formulations to further study and optimize electrolyte structure could lead to solid-state batteries with dramatically lower full cell resistance and higher energy and power density. In addition, the reported ink compositions could be used as a model recipe for other solid electrolyte or ceramic inks, perhaps enabling 3D printing in related fields. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High pressure and temperature structure of liquid and solid Cd: implications for the melting curve of Cd

International Nuclear Information System (INIS)

Raju, S V; Williams, Q; Geballe, Z M; Godwal, B K; Jeanloz, R; Kalkan, B

2014-01-01

The structure of cadmium was characterized in both the solid and liquid forms at pressures to 10 GPa using in situ x-ray diffraction measurements in a resistively heated diamond anvil cell. The distorted hexagonal structure of solid cadmium persists at high pressures and temperatures, with anomalously large c/a ratio of Cd becoming larger as the melting curve is approached. The measured structure factor S(Q) for the melt reveals that the cadmium atoms are spaced about 0.6 Angstroms apart. The melt structure remains notably constant with increasing pressure, with the first peak in the structure factor remaining mildly asymmetric, in accord with the persistence of an anisotropic bonding environment within the liquid. Evolution of powder diffraction patterns up to the temperature of melting revealed the stability of the ambient-pressure hcp structure up to a pressure of 10 GPa. The melting curve has a positive Clausius–Clapeyron slope, and its slope is in good agreement with data from other techniques. We find deviations in the melting curve from Lindemann law type behavior for pressures above 1 GPa. (paper)

Heat transfer across the interface between nanoscale solids and gas.

Science.gov (United States)

Cheng, Chun; Fan, Wen; Cao, Jinbo; Ryu, Sang-Gil; Ji, Jie; Grigoropoulos, Costas P; Wu, Junqiao

2011-12-27

When solid materials and devices scale down in size, heat transfer from the active region to the gas environment becomes increasingly significant. We show that the heat transfer coefficient across the solid-gas interface behaves very differently when the size of the solid is reduced to the nanoscale, such as that of a single nanowire. Unlike for macroscopic solids, the coefficient is strongly pressure dependent above ∼10 Torr, and at lower pressures it is much higher than predictions of the kinetic gas theory. The heat transfer coefficient was measured between a single, free-standing VO(2) nanowire and surrounding air using laser thermography, where the temperature distribution along the VO(2) nanowire was determined by imaging its domain structure of metal-insulator phase transition. The one-dimensional domain structure along the nanowire results from the balance between heat generation by the focused laser and heat dissipation to the substrate as well as to the surrounding gas, and thus serves as a nanoscale power-meter and thermometer. We quantified the heat loss rate across the nanowire-air interface, and found that it dominates over all other heat dissipation channels for small-diameter nanowires near ambient pressure. As the heat transfer across the solid-gas interface is nearly independent of the chemical identity of the solid, the results reveal a general scaling relationship for gaseous heat dissipation from nanostructures of all solid materials, which is applicable to nanoscale electronic and thermal devices exposed to gaseous environments.

Direct observation of ionic structure at solid-liquid interfaces

DEFF Research Database (Denmark)

Siretanu, Igor; Ebeling, Daniel; Andersson, Martin Peter

2014-01-01

The distribution of ions and charge at solid-water interfaces plays an essential role in a wide range of processes in biology, geology and technology. While theoretical models of the solid-electrolyte interface date back to the early 20th century, a detailed picture of the structure of the electric...... double layer has remained elusive, largely because of experimental techniques have not allowed direct observation of the behaviour of ions, i.e. with subnanometer resolution. We have made use of recent advances in high-resolution Atomic Force Microscopy to reveal, with atomic level precision, the ordered...

Characterization of ash melting behaviour at high temperatures under conditions simulating combustible solid waste gasification.

Science.gov (United States)

Niu, Miaomiao; Dong, Qing; Huang, Yaji; Jin, Baosheng; Wang, Hongyan; Gu, Haiming

2018-05-01

To achieve high-temperature gasification-melting of combustible solid waste, ash melting behaviour under conditions simulating high-temperature gasification were studied. Raw ash (RA) and gasified ash (GA) were prepared respectively by waste ashing and fluidized bed gasification. Results of microstructure and composition of the two-ash indicated that GA showed a more porous structure and higher content of alkali and alkali earth metals among metallic elements. Higher temperature promoted GA melting and could reach a complete flowing state at about 1250°C. The order of melting rate of GA under different atmospheres was reducing condition > inert condition > oxidizing condition, which might be related to different existing forms of iron during melting and different flux content with atmosphere. Compared to RA, GA showed lower melting activity at the same condition due to the existence of an unconverted carbon and hollow structure. The melting temperature for sufficient melting and separation of GA should be at least 1250°C in this work.

Novel criterion for formation of metastable phase from undercooled melt

International Nuclear Information System (INIS)

Kuribayashi, Kazuhiko; Nagashio, Kosuke; Niwata, Kenji; Kumar, M.S. Vijaya; Hibiya, Taketoshi

2007-01-01

Undercooling a melt facilitates the preferential nucleation of a metastable phase. In the present study, the formation of metastable phases from undercooled melts was considered from the viewpoint of the competitive nucleation criterion. The classical nucleation theory shows us that the most critical factor for forming a critical nucleus is the interface free energy σ. Furthermore, Spaepen's negentropic model on σ generated the role of the scaling factor α that depends on the polyhedral order in the liquid and solid phases prominent in simple liquids such as the melt of monoatomic metals. In ionic materials such as oxides, however, in which oxygen polyhedrons including a cation at their center are the structural units both in the solid and liquid phases, the entropy of fusion, rather than α, can be expected to become dominant in the determination of σ. In accordance with this idea, using REFeO 3 as the model material (where RE denotes rare-earth elements) the entropy-undercooling regime criterion was proposed and verified

Interface interaction and wetting of Sc2O3 exposed to Cu-Al and Cu-Ti melts

International Nuclear Information System (INIS)

Barzilai, S.; Nagar, H.; Froumin, N.; Frage, N.; Aizenshtein, M.

2009-01-01

Scandia is a thermodynamically stable oxide and could be used as a structural material for a crucible in order to avoid a melt contamination. In the present study wetting experiments of Cu-Al and Cu-Ti melts on Scandia substrate were preformed at 1423 K by a sessile drop method. It was established that Al and Ti additions lead to the improved wetting and that the final contact angle decreases with increasing the additives concentration. For Al containing melts, the contact angle changes gradually with time, and a relatively thick interaction layer, which consists of Al 2 O 3 , Sc 2 O 3 , and metallic channels, was formed at the Sc 2 O 3 /Cu-Al interface. For Ti containing melts, the final contact angle is achieved already during heating, and an extremely thin layer based on a Ti-Sc-O compound was detected by AES at the Sc 2 O 3 /Cu-Ti interface. The results of a thermodynamic analysis, which takes into account the formation free energy of the oxides, involved in the systems, and the thermodynamic properties of the liquid solutions are in a good agreement with the experimental observations. (orig.)

Heterogeneous nucleation of solid Al from the melt by Al 3 Ti : Molecular dynamics simulations

KAUST Repository

Wang, Junsheng; Horsfield, Andrew; Lee, Peter D.; Brommer, Peter

2010-01-01

It has been known experimentally for some time that Al3 Ti is a powerful nucleant for the solidification of aluminum from the melt; however, a full microscopic understanding is still lacking. To develop this understanding, we have performed molecular dynamics simulations of the nucleation and early stages of growth using published embedded atom method potentials for Al-Ti, but modified by us to stabilize the D 022 structure. We discover that Al3 Ti can indeed be very effective in promoting the growth of solid Al but the manner in which growth takes place depends sensitively on the surface on which the Al nucleates. In particular, complete growth of solid Al from the liquid on the (001) and (110) surfaces of Al3 Ti occurs at a lower temperature than on the (112) surface. This anisotropy agrees with observations in previous experiments. We explain this observation in terms of interfacial energies. On the preferential (111) surface of Al the solid-liquid interfacial energy is highest while the solid-vacuum energy is lowest. Our simulations also show that the extent of ordering taking place in liquid Al close to the Al 3 Ti substrate above the melting point correlates well with the effectiveness of the substrate as a nucleant below the melting temperature: this could provide a computationally efficient scheme to identify good nucleants. © 2010 The American Physical Society.

Heterogeneous nucleation of solid Al from the melt by Al 3 Ti : Molecular dynamics simulations

KAUST Repository

Wang, Junsheng

2010-10-27

It has been known experimentally for some time that Al3 Ti is a powerful nucleant for the solidification of aluminum from the melt; however, a full microscopic understanding is still lacking. To develop this understanding, we have performed molecular dynamics simulations of the nucleation and early stages of growth using published embedded atom method potentials for Al-Ti, but modified by us to stabilize the D 022 structure. We discover that Al3 Ti can indeed be very effective in promoting the growth of solid Al but the manner in which growth takes place depends sensitively on the surface on which the Al nucleates. In particular, complete growth of solid Al from the liquid on the (001) and (110) surfaces of Al3 Ti occurs at a lower temperature than on the (112) surface. This anisotropy agrees with observations in previous experiments. We explain this observation in terms of interfacial energies. On the preferential (111) surface of Al the solid-liquid interfacial energy is highest while the solid-vacuum energy is lowest. Our simulations also show that the extent of ordering taking place in liquid Al close to the Al 3 Ti substrate above the melting point correlates well with the effectiveness of the substrate as a nucleant below the melting temperature: this could provide a computationally efficient scheme to identify good nucleants. © 2010 The American Physical Society.

Numerical Simulations of Melting-Crystallisation Processes at the Boundaries Between Magma Oceans and Solid Mantle

Science.gov (United States)

Bolrão, D. P.; Rozel, A.; Morison, A.; Labrosse, S.; Tackley, P. J.

2017-12-01

The idea that the Earth had a global magma ocean, mostly created by impacts, core formation, radiogenic and tidal heating, is well accepted nowadays. When this ocean starts to crystallise, if the melt is denser than the solid, a basal magma ocean is created below the solid part. These two magma oceans influence the dynamics and evolution of solid mantle. Near the boundaries, the vertical flow in the solid part creates a topography. If this topography is destroyed by melting/crystallisation processes in a time scale much shorter than the time needed to adjust the topography by viscous relaxation, then matter can cross the boundary. In this case, the boundary is said to be permeable. On the other hand, if this time is longer, matter cannot cross and the boundary is said impermeable. This permeability is defined by a non-dimensional phase change number, φ, introduced by Deguen, 2013. This φ is the ratio of the two timescales mentioned, and defines a permeable boundary when φ « 1, and an impermeable one when φ » 1. To understand the impact of magma oceans on the dynamics of the solid mantle, we use the convection code StagYY, with a 2D spherical annulus geometry, to compute the convection of the solid part. Our results show different convection behaviours depending on the type of boundary chosen. For the permeable case, we investigate the thermo-compositional evolution of the solid domain, explicitly taking into account the compositional evolution of the magma oceans. Reference: Deguen, R. Thermal convection in a spherical shell with melting/freezing at either or both of its boundaries. Journal of Earth Science, Vol. 24, No. 5, p. 669-682, 2013. doi: 10.1007/s12583-013-0364-8

Development of a numerical simulation method for melting/solidification and dissolution/precipitation phenomena. 1. Literature survey for computer program design

International Nuclear Information System (INIS)

Uchibori, Akihiro; Ohshima, Hiroyuki

2004-04-01

Survey research of numerical methods for melting/solidification and dissolution/precipitation phenomena was performed to determine the policy for a simulation program development. Melting/solidification and dissolution/ precipitation have been key issues for feasibility evaluation of several techniques applied in the nuclear fuel cycle processes. Physical models for single-component melting/solidification, two-component solution solidification or precipitation by cooling and precipitation by electrolysis, which are moving boundary problems, were made clear from the literature survey. The transport equations are used for thermal hydraulic analysis in the solid and the liquid regions. Behavior of the solid-liquid interface is described by the heat and mass transfer model. These physical models need to be introduced into the simulation program. The numerical methods for the moving boundary problems are categorized into two types: interface tracking method and interface capturing method. Based on the classification, performance of each numerical method was evaluated. The interface tracking method using the Lagrangian moving mesh requires relatively complicated algorithm. The algorithm has high accuracy for predicting the moving interface. On the other hand, the interface capturing method uses the Eulerian fixing mesh, leading to simple algorithm. Prediction accuracy of the method is relatively low. The extended finite element method classified as the interface capturing method can predict the interface behavior accurately even though the Eulerian fixing mesh is used. We decided to apply the extended finite element method to the simulation program. (author)

Study on melting conditions of radioactive miscellaneous solid waste. Contract research

International Nuclear Information System (INIS)

Fukui, Toshiki; Nakashio, Nobuyuki; Isobe, Motoyasu; Otake, Atsushi; Wakui, Takuji; Nakashima, Mikio; Hirabayashi, Takakuni

2001-02-01

Improvement of fluidity of molten slag is one of the most important factors for plasma melting treatment of low level radioactive miscellaneous wastes generated from nuclear facilities. In general, it is considered that elevating molten slag temperature of addition of flux is of certain use in improvement of fluidity of molten slag. However, these ways are not necessarily suitable from the viewpoints of refractory erosion or reduction of waste volume. In this report, we suggested that fluidity of molten slag could be improved by controlling chemical compositions of molten slag. On the Basic of the investigation using phase diagram and viscosity data, FeO was selected as a key component for improving fluidity: Viscosity and melting point of molten slag decreased with increasing relative concentration of FeO in molten slag. Accordingly, we concluded that it is important to adjust basicity of molten slag for melting treatment of low-level radioactive miscellaneous solid wastes. (author)

Postaccident heat removal. II. Heat transfer from an internally heated liquid to a melting solid

International Nuclear Information System (INIS)

Faw, R.E.; Baker, L. Jr.

1976-01-01

Microwave heating has been used in studies of heat transfer from a horizontal layer of internally heated liquid to a melting solid. Experiments were designed to simulate heat transfer and meltthrough processes of importance in the analysis of postaccident heat removal capabilities of nuclear reactors. Glycerin, heated by 2.45-GHz microwave radiation, was used to simulate molten fuel. Paraffin wax was used to simulate a melting barrier confining the fuel. Experimentally measured heat fluxes and melting rates were consistent with a model based on downward heat transfer by conduction through a stagnant liquid layer and upward heat transfer augmented by natural convection. Melting and displacement of the barrier material occurred by upward-moving droplets randomly distributed across the melting surface. Results indicated that the melting and displacement process had no effect on the heat transfer process

PREFACE: Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations

Science.gov (United States)

Gaigeot, Marie-Pierre; Sulpizi, Marialore

2012-03-01

Liquid-solid interfaces play an important role in a number of phenomena encountered in biological, chemical and physical processes. Surface-induced changes of the material properties are not only important for the solid support but also for the liquid itself. In particular, it is now well established that water at the interface is substantially different from bulk water, even in the proximity of apparently inert surfaces such as a simple metal. The complex chemistry at liquid-solid interfaces is typically fundamental to heterogeneous catalysis and electrochemistry, and has become especially topical in connection with the search for new materials for energy production. A quite remarkable example is the development of cheap yet efficient solar cells, whose basic components are dye molecules grafted to the surface of an oxide material and in contact with an electrolytic solution. In life science, the most important liquid-solid interfaces are the water-cell-membrane interfaces. Phenomena occurring at the surface of phospholipid bilayers control the docking of proteins, the transmission of signals as well as transport of molecules in and out of the cell. Recently the development of bio-compatible materials has lead to research on the interface between bio-compatible material and lipid/proteins in aqueous solution. Gaining a microscopic insight into the processes occurring at liquid-solid interfaces is therefore fundamental to a wide range of disciplines. This special section collects some contributions to the CECAM Workshop 'Liquid/Solid interfaces: Structure and Dynamics from Spectroscopy and Simulations' which took place in Lausanne, Switzerland in June 2011. Our main aim was to bring together knowledge and expertise from different communities in order to advance our microscopic understanding of the structure and dynamics of liquids at interfaces. In particular, one of our ambitions was to foster discussion between the experimental and theoretical

Localized melt-scan strategy for site specific control of grain size and primary dendrite arm spacing in electron beam additive manufacturing

International Nuclear Information System (INIS)

Raghavan, Narendran; Simunovic, Srdjan; Dehoff, Ryan; Plotkowski, Alex; Turner, John; Kirka, Michael; Babu, Suresh

2017-01-01

In addition to design geometry, surface roughness, and solid-state phase transformation, solidification microstructure plays a crucial role in controlling the performance of additively manufactured components. Crystallographic texture, primary dendrite arm spacing (PDAS), and grain size are directly correlated to local solidification conditions. We have developed a new melt-scan strategy for inducing site specific, on-demand control of solidification microstructure. We were able to induce variations in grain size (30 μm–150 μm) and PDAS (4 μm - 10 μm) in Inconel 718 parts produced by the electron beam additive manufacturing system (Arcam ® ). A conventional raster melt-scan resulted in a grain size of about 600 μm. The observed variations in grain size with different melt-scan strategies are rationalized using a numerical thermal and solidification model which accounts for the transient curvature of the melt pool and associated thermal gradients and liquid-solid interface velocities. The refinement in grain size at high cooling rates (>10 4  K/s) is also attributed to the potential heterogeneous nucleation of grains ahead of the epitaxially growing solidification front. The variation in PDAS is rationalized using a coupled numerical-theoretical model as a function of local solidification conditions (thermal gradient and liquid-solid interface velocity) of the melt pool.

Multi-projector auto-calibration and placement optimization for non-planar surfaces

Science.gov (United States)

Li, Dong; Xie, Jinghui; Zhao, Lu; Zhou, Lijing; Weng, Dongdong

2015-10-01

Non-planar projection has been widely applied in virtual reality and digital entertainment and exhibitions because of its flexible layout and immersive display effects. Compared with planar projection, a non-planar projection is more difficult to achieve because projector calibration and image distortion correction are difficult processes. This paper uses a cylindrical screen as an example to present a new method for automatically calibrating a multi-projector system in a non-planar environment without using 3D reconstruction. This method corrects the geometric calibration error caused by the screen's manufactured imperfections, such as an undulating surface or a slant in the vertical plane. In addition, based on actual projection demand, this paper presents the overall performance evaluation criteria for the multi-projector system. According to these criteria, we determined the optimal placement for the projectors. This method also extends to surfaces that can be parameterized, such as spheres, ellipsoids, and paraboloids, and demonstrates a broad applicability.

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.

Galvanic high temperature cell with solid negative electrode and an electrolyte melt. Galvanische Hochtemperaturzelle mit fester negativer Elektrode und einem Schmelzelektrolyten

Energy Technology Data Exchange (ETDEWEB)

Kappus, W; Borger, W

1987-01-08

The purpose of the invention is to make an electrolyte melt available for high temperature cells (e.g. LiFeS cells), which guarantees ion transport and also acts as a separator. The invention starts from the fact that binary melts of the LiCl/KCl type are only liquid (i.e. without solid components) at a certain temperature at certain concentrations. With suitable mixing conditions, which apart from a eutectic composition, are mainly on the side of one of the two components, one can ensure that this component is present in the solid phase. In this way, a solid framework of LiCl, for example, is formed between the electrode plates in situ as a separator, in the pores of which the excess melt (e.g. LiCl/KCl) can carry out ion conduction. The volumetric ratio of the electrolyte melt in which liquid and solid phases are present at the working temperature of the cell should preferably be in the range of 2:1 to 1:2.

Fracture mechanics of piezoelectric solids with interface cracks

CERN Document Server

Govorukha, Volodymyr; Loboda, Volodymyr; Lapusta, Yuri

2017-01-01

This book provides a comprehensive study of cracks situated at the interface of two piezoelectric materials. It discusses different electric boundary conditions along the crack faces, in particular the cases of electrically permeable, impermeable, partially permeable, and conducting cracks. The book also elaborates on a new technique for the determination of electromechanical fields at the tips of interface cracks in finite sized piezoceramic bodies of arbitrary shape under different load types. It solves scientific problems of solid mechanics in connection with the investigation of electromechanical fields in piezoceramic bodies with interface cracks, and develops calculation models and solution methods for plane fracture mechanical problems for piecewise homogeneous piezoceramic bodies with cracks at the interfaces. It discusses the “open” crack model, which leads to a physically unrealistic oscillating singularity at the crack tips, and the contact zone model for in-plane straight interface cracks betw...

Low energy electron diffraction (LEED) and sum frequency generation (SFG) vibrational spectroscopy studies of solid-vacuum, solid-air and solid-liquid interfaces

Energy Technology Data Exchange (ETDEWEB)

Hoffer, Saskia [Univ. of California, Berkeley, CA (United States)

2002-01-01

Electron based surface probing techniques can provide detailed information about surface structure or chemical composition in vacuum environments. The development of new surface techniques has made possible in situ molecular level studies of solid-gas interfaces and more recently, solid-liquid interfaces. The aim of this dissertation is two-fold. First, by using novel sample preparation, Low Energy Electron Diffraction (LEED) and other traditional ultra high vacuum (UHV) techniques are shown to provide new information on the insulator/vacuum interface. The surface structure of the classic insulator NaCl has been determined using these methods. Second, using sum frequency generation (SFG) surface specific vibrational spectroscopy studies were performed on both the biopolymer/air and electrode/electrolyte interfaces. The surface structure and composition of polyetherurethane-silicone copolymers were determined in air using SFG, atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). SFG studies of the electrode (platinum, gold and copper)/electrolyte interface were performed as a function of applied potential in an electrochemical cell.

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

Humid storage conditions increase the dissolution rate of diazepam from solid dispersions prepared by melt agglomeration

DEFF Research Database (Denmark)

Jørgensen, Anna Cecilia; Torstenson, Anette Seo

2008-01-01

The purpose of this study is to investigate the effect of cooling mode and storage conditions on the dissolution rate of a solid dispersion prepared by melt agglomeration. The aim has been to relate this effect to the solid state properties of the agglomerates. The cooling mode had an effect on t...

Enhancing the bioavailability of magnolol in rabbits using melting solid dispersion with polyvinylpyrrolidone.

Science.gov (United States)

Lin, Shiuan-Pey; Hou, Yu-Chi; Liao, Tzu-Yun; Tsai, Shang-Yuan

2014-03-01

Preparation of magnolol-loaded amorphous solid dispersion was investigated for improving the bioavailability. A solid dispersion of magnolol was prepared with polyvinylpyrrolidone K-30 (PVP) by melting method, and the physical properties were characterized by using differential scanning calorimetry, powder X-ray diffractometry, Fourier transformation-infrared spectroscopy and scanning electron microscope. In addition, dissolution test was also performed. Subsequently, the bioavailability of magnolol pure compound, its physical mixture and solid dispersion were compared in rabbits. The blood samples withdrawn via marginal ear vein at specific time points were assayed by HPLC method. Oral administration of the solid dispersion of magnolol with PVP significantly increased the systemic exposures of magnolol and magnolol sulfates/glucuronides by 80.1% and 142.8%, respectively, compared to those given with magnolol pure compound. Magnolol-loaded amorphous solid dispersion with PVP has demonstrated enhanced bioavailability of magnolol in rabbits.

Effect of grain size on the melting point of confined thin aluminum films

Energy Technology Data Exchange (ETDEWEB)

Wejrzanowski, Tomasz; Lewandowska, Malgorzata; Sikorski, Krzysztof; Kurzydlowski, Krzysztof J. [Materials Design Division, Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland)

2014-10-28

The melting of aluminum thin film was studied by a molecular dynamics (MD) simulation technique. The effect of the grain size and type of confinement was investigated for aluminum film with a constant thickness of 4 nm. The results show that coherent intercrystalline interface suppress the transition of solid aluminum into liquid, while free-surface gives melting point depression. The mechanism of melting of polycrystalline aluminum thin film was investigated. It was found that melting starts at grain boundaries and propagates to grain interiors. The melting point was calculated from the Lindemann index criterion, taking into account only atoms near to grain boundaries. This made it possible to extend melting point calculations to bigger grains, which require a long time (in the MD scale) to be fully molten. The results show that 4 nm thick film of aluminum melts at a temperature lower than the melting point of bulk aluminum (933 K) only when the grain size is reduced to 6 nm.

Ti2Al(C, N) Solid Solution Reinforcing TiAl-Based Composites: Evolution of a Core-Shell Structure, Interfaces, and Mechanical Properties.

Science.gov (United States)

Song, Xiaojie; Cui, Hongzhi; Han, Ye; Ding, Lei; Song, Qiang

2018-05-16

In this work, Ti 2 Al(C, N) solid solution with lamellar structure-enhanced TiAl matrix composites was synthesized by vacuum arc melting, using bulk g-C 3 N 4 , Ti, and Al powders as raw materials. The phases, microstructures, interfaces, and mechanical properties were investigated. MAX phase of Ti 2 Al(C, N) solid solution with lamellar structure was formed. During the melting process, first, C 3 N 4 reacted with Ti to form Ti(C, N) by Ti + C 3 N 4 → Ti(C, N). Then Ti 2 Al(C, N) was formed by a peritectic reaction of TiAl(l) + Ti(C, N)(s) → Ti 2 Al(C, N). C 3 N 4 is the single reactant that provides C and N simultaneously to final product of Ti 2 Al(C, N). The interfaces of TiAl//Ti 2 Al(C, N) and Ti 2 Al(C, N)//Ti(C, N) display perfect orientation relationships with low misfit values. The microhardness, compressive strength, and strain of best-performing TiAl-10 mol % Ti 2 Al(C, N) composite were improved by 45%, 55.7%, and 50% compared with the TiAl alloy, respectively. Uniformly distributed Ti 2 Al(C, N) and unreacted Ti(C, N) particles contributed to the grain refinement and reinforcement of the TiAl matrix. Laminated tearing, particle pull-out, and the crack-arresting of Ti 2 Al(C, N) are crucial for the improvement in compressive strength and plasticity of the composites.

A new perturbation theory of solids and fluids and its applications to high-pressure melting problems

International Nuclear Information System (INIS)

Ree, F.H.

1990-05-01

A statistical mechanical theory that can describe both solids and fluids in a self-consistent way is described. This theory utilizes a optimized reference potential whose repulsive range shrinks with density. A unique feature of the new theory is that solid- and fluid-phase thermodynamic properties are both computed within a single theoretical framework. Hence, it allows us to study melting phenomena in a self-consistent manner. For solids, the new theory treats both harmonic and anharmonic effects in thermodynamic properties on equal footing. Applications to several model and rare gas systems show that the new theory can accurately predict fluid, solid, and fluid-solid transition properties. Effective pair potentials inferred from the analysis of krypton and xenon isotherms contain short- and long-range modifications to the Aziz-Slaman pair potential. The long-range correction is repulsive and originates from the Axilrod-Teller three-body force, while the short-range correction probably originates from many-body forces. Using the computed melting curves of krypton and neon, we discuss the range of validity of the corresponding states principle for rare gas systems. 68 refs., 8 figs., 6 tabs

Effect of composition in the development of carbamazepine hot-melt extruded solid dispersions by application of mixture experimental design.

Science.gov (United States)

Djuris, Jelena; Ioannis, Nikolakakis; Ibric, Svetlana; Djuric, Zorica; Kachrimanis, Kyriakos

2014-02-01

This study investigates the application of hot-melt extrusion for the formulation of carbamazepine (CBZ) solid dispersions, using polyethyleneglycol-polyvinyl caprolactam-polyvinyl acetate grafted copolymer (Soluplus, BASF, Germany) and polyoxyethylene-polyoxypropylene block copolymer (Poloxamer 407). In agreement with the current Quality by Design principle, formulations of solid dispersions were prepared according to a D-optimal mixture experimental design, and the influence of formulation composition on the properties of the dispersions (CBZ heat of fusion and release rate) was estimated. Prepared solid dispersions were characterized using differential scanning calorimetry, attenuated total reflectance infrared spectroscopy and hot stage microscopy, as well as by determination of the dissolution rate of CBZ from the hot-melt extrudates. Solid dispersions of CBZ can be successfully prepared using the novel copolymer Soluplus. Inclusion of Poloxamer 407 as a plasticizer facilitated the processing and decreased the hardness of hot-melt extrudates. Regardless of their composition, all hot-melt extrudates displayed an improvement in the release rate compared to the pure CBZ, with formulations having the ratio of CBZ : Poloxamer 407 = 1 : 1 showing the highest increase in CBZ release rate. Interactions between the mixture components (CBZ and polymers), or quadratic effects of the components, play a significant role in overall influence on the CBZ release rate. © 2013 Royal Pharmaceutical Society.

The effect of interfaces on solid-state reactions between oxides

International Nuclear Information System (INIS)

Johnson, M.T.; Carter, C.B.

1998-01-01

A thin-film geometry has been used to study fundamental solid-state reaction processes occurring at interfaces in two spinel-forming oxide systems. In the first system, NiO/Al 2 O 3 , epitactic NiO films were deposited on various orientations of single-crystal α-Al 2 O 3 . In this case, the reaction kinetics were studied and correlated with the interfacial structure (or substrate orientation). In the second, In 2 O 3 /MgO, solid-state reactions were studied under the influence of an electric field. The electric field provides a driving force for mass transport that affects both the reaction process and the morphological stability of an interface

Method for brazing together planar and nonplanar metal members

International Nuclear Information System (INIS)

Hammersand, F.G.; Witkowski, A.J.

1985-01-01

The invention relates to a method and apparatus for brazing two metal members together, at least one of which is nonplanar, in a brazing furnace using a substantially pure brazing material. The method comprises the steps of utilizing a brazing fixture to hold the two metal members in tangential relation to one another along a portion of each member so that a cavity is formed adjacent to the contacting portions. A braze material is then positioned within the cavity. The braze fixture, the metal members, and the braze material are then placed in a brazing furnace. A heat shield is then placed over the braze fixture, the metal members, and the braze material to shield the braze material from direct furnace radiation. The furnace temperature is linearly increased at a rate of about 180 0 C. per hour until a temperature of 350 0 C. is achieved. Heat is transferred by conduction from the metal members to the braze material to cause the braze material to melt. Some material from the metal members slowly diffuses into the braze material forming a braze joint. The furnace is rapidly cooled to room temperature using nitrogen gas. The brazed assemblies made according to this method are superior to assemblies formed by heliarc welding

Rheology Guided Rational Selection of Processing Temperature To Prepare Copovidone-Nifedipine Amorphous Solid Dispersions via Hot Melt Extrusion (HME).

Science.gov (United States)

Yang, Fengyuan; Su, Yongchao; Zhang, Jingtao; DiNunzio, James; Leone, Anthony; Huang, Chengbin; Brown, Chad D

2016-10-03

The production of amorphous solid dispersions via hot melt extrusion (HME) relies on elevated temperature and prolonged residence time, which can result in potential degradation and decomposition of thermally sensitive components. Herein, the rheological properties of a physical mixture of polymer and an active pharmaceutical ingredient (API) were utilized to guide the selection of appropriate HME processing temperature. In the currently studied copovidone-nifedipine system, a critical temperature, which is substantially lower (∼13 °C) than the melting point of crystalline API, was captured during a temperature ramp examination and regarded as the critical point at which the API could molecularly dissolve into the polymer. Based on the identification of this critical point, various solid dispersions were prepared by HME processing below, at, and above the critical temperature (both below and above the melting temperature (T m ) of crystalline API). In addition, the resultant extrudates along with two control solid dispersions prepared by physical mixing and cryogenic milling were assessed by X-ray diffraction, differential scanning calorimetry, hot stage microscopy, rheology, and solid-state NMR. Physicochemical properties of resultant solid dispersions indicated that the identified critical temperature is sufficient for the polymer-API system to reach a molecular-level mixing, manifested by the transparent and smooth appearance of extrudates, the absence of API crystalline diffraction and melting peaks, dramatically decreased rheological properties, and significantly improved polymer-API miscibility. Once the critical temperature has been achieved, further raising the processing temperature only results in limited improvement of API dispersion, reflected by slightly reduced storage modulus and complex viscosity and limited improvement in miscibility.

Heterogeneous nucleation of solid Al from the melt by TiB2 and Al3Ti: An ab initio molecular dynamics study

KAUST Repository

Wang, Junsheng; Horsfield, Andrew; Lee, Peter D.; Schwingenschlö gl, Udo

2010-01-01

The nucleation of solid Al from the melt by TiB2 is well established and is believed to involve the formation of Al3Ti. Since the atomic-scale mechanisms involved are not fully understood, we look to computer simulation to provide insight. As there is an absence of suitable potentials for all of this complex system we have performed large-scale density-functional-theory molecular dynamics simulations of the nucleation of solid Al from the melt on TiB2 and Al3Ti substrates at undercoolings of around 2 K. Using periodic boundary conditions, we find limited ordering and no signs of incipient growth in the liquid Al close to the B-terminated surface of TiB2. By contrast, we see fcc-like ordering near the Ti-terminated surface, with growth being frustrated by the lattice mismatch between bulk Al and the TiB2 substrate. The Al interatomic distances at the Ti-terminated surface are similar to distances found in Al3Ti; we suggest that the layer encasing TiB2 observed experimentally may be strained Al on a Ti-terminated surface rather than Al3Ti. For the Al3Ti substrate, fcc-like structures are observed on both sides which extend rapidly into the melt. Periodic boundaries introduce unphysical stresses which we removed by introducing a vacuum region to separate the liquid from the solid at one of the interfaces. We see ordering in the Al on both the B-terminated (0001) surface of TiB2, and on Al3Ti(112), with the ordering able to be stronger on the Al3Ti substrate. However, we cannot draw strong conclusions as these simulations need more time to allow long-ranged fluctuations in the liquid Al to dampen out. The huge computational cost restricted the range and duration of simulations that was possible.

Heterogeneous nucleation of solid Al from the melt by TiB2 and Al3Ti: An ab initio molecular dynamics study

KAUST Repository

Wang, Junsheng

2010-11-16

The nucleation of solid Al from the melt by TiB2 is well established and is believed to involve the formation of Al3Ti. Since the atomic-scale mechanisms involved are not fully understood, we look to computer simulation to provide insight. As there is an absence of suitable potentials for all of this complex system we have performed large-scale density-functional-theory molecular dynamics simulations of the nucleation of solid Al from the melt on TiB2 and Al3Ti substrates at undercoolings of around 2 K. Using periodic boundary conditions, we find limited ordering and no signs of incipient growth in the liquid Al close to the B-terminated surface of TiB2. By contrast, we see fcc-like ordering near the Ti-terminated surface, with growth being frustrated by the lattice mismatch between bulk Al and the TiB2 substrate. The Al interatomic distances at the Ti-terminated surface are similar to distances found in Al3Ti; we suggest that the layer encasing TiB2 observed experimentally may be strained Al on a Ti-terminated surface rather than Al3Ti. For the Al3Ti substrate, fcc-like structures are observed on both sides which extend rapidly into the melt. Periodic boundaries introduce unphysical stresses which we removed by introducing a vacuum region to separate the liquid from the solid at one of the interfaces. We see ordering in the Al on both the B-terminated (0001) surface of TiB2, and on Al3Ti(112), with the ordering able to be stronger on the Al3Ti substrate. However, we cannot draw strong conclusions as these simulations need more time to allow long-ranged fluctuations in the liquid Al to dampen out. The huge computational cost restricted the range and duration of simulations that was possible.

Influence of process parameters to composite interface organization and performance of liquid/solid bimetal

International Nuclear Information System (INIS)

Rong, S F; Zhu, Y C; Wu, Y H; Yang, P H; Duan, X L; Zhou, H T

2015-01-01

The liquid-solid composite technique was used to prepare the high carbon high chromium steel (HCHCS) and low alloy steel (LCS) bimetal composite materials by means of insert casting method. The influence of some process parameters such as liquid-solid ratio, preheat temperature, pouring temperature on the interface microstructure and mechanical properties were studied. Interface microstructure and element distribution were analyzed. The results show that the interface microstructure becomes better, and bonding area becomes thicker with the increase of the volume of liquid to solid ratio, preheating temperature and pouring temperature. When the liquid-solid ratio is 8:1, the preheating temperature is 300 °C and the pouring temperature is 1565 °C, a good metallurgical bonding area without any hole can be obtained with the interface combination of diffusion and fusion. The composite interface structure was composed of a core material diffusion layer, a cooling solidification layer, a direction growth layer and some cell particles. The elements of C, Cr and Mn diffuse from the HCHCS side to the alloy steel side. The microhardness increased in the gradient from the LCS side to the HCHCS. The microhardness of the interface is significantly higher than that of LCS. (paper)

Solid-liquid interface free energies of pure bcc metals and B2 phases

Science.gov (United States)

Wilson, S. R.; Gunawardana, K. G. S. H.; Mendelev, M. I.

2015-04-01

The solid-liquid interface (SLI) free energy was determined from molecular dynamics (MD) simulation for several body centered cubic (bcc) metals and B2 metallic compounds (space group: P m 3 ¯ m ; prototype: CsCl). In order to include a bcc metal with a low melting temperature in our study, a semi-empirical potential was developed for Na. Two additional synthetic "Na" potentials were also developed to explore the effect of liquid structure and latent heat on the SLI free energy. The obtained MD data were compared with the empirical Turnbull, Laird, and Ewing relations. All three relations are found to predict the general trend observed in the MD data for bcc metals obtained within the present study. However, only the Laird and Ewing relations are able to predict the trend obtained within the sequence of "Na" potentials. The Laird relation provides the best prediction for our MD data and other MD data for bcc metals taken from the literature. Overall, the Laird relation also agrees well with our B2 data but requires a proportionality constant that is substantially different from the bcc case. It also fails to explain a considerable difference between the SLI free energies of some B2 phases which have nearly the same melting temperature. In contrast, this difference is satisfactorily described by the Ewing relation. Moreover, the Ewing relation obtained from the bcc dataset also provides a reasonable description of the B2 data.

Development of Sulfide Solid Electrolytes and Interface Formation Processes for Bulk-Type All-Solid-State Li and Na Batteries

Energy Technology Data Exchange (ETDEWEB)

Hayashi, Akitoshi, E-mail: hayashi@chem.osakafu-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan); Sakuda, Atsushi [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan); Department of Energy and Environment, Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka (Japan); Tatsumisago, Masahiro [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan)

2016-07-15

All-solid-state batteries with inorganic solid electrolytes (SEs) are recognized as an ultimate goal of rechargeable batteries because of their high safety, versatile geometry, and good cycle life. Compared with thin-film batteries, increasing the reversible capacity of bulk-type all-solid-state batteries using electrode active material particles is difficult because contact areas at solid–solid interfaces between the electrode and electrolyte particles are limited. Sulfide SEs have several advantages of high conductivity, wide electrochemical window, and appropriate mechanical properties, such as formability, processability, and elastic modulus. Sulfide electrolyte with Li{sub 7}P{sub 3}S{sub 11} crystal has a high Li{sup +} ion conductivity of 1.7 × 10{sup −2} S cm{sup −1} at 25°C. It is far beyond the Li{sup +} ion conductivity of conventional organic liquid electrolytes. The Na{sup +} ion conductivity of 7.4 × 10{sup −4} S cm{sup −1} is achieved for Na{sub 3.06}P{sub 0.94}Si{sub 0.06}S{sub 4} with cubic structure. Moreover, formation of favorable solid–solid interfaces between electrode and electrolyte is important for realizing solid-state batteries. Sulfide electrolytes have better formability than oxide electrolytes. Consequently, a dense electrolyte separator and closely attached interfaces with active material particles are achieved via “room-temperature sintering” of sulfides merely by cold pressing without heat treatment. Elastic moduli for sulfide electrolytes are smaller than that of oxide electrolytes, and Na{sub 2}S–P{sub 2}S{sub 5} glass electrolytes have smaller Young’s modulus than Li{sub 2}S–P{sub 2}S{sub 5} electrolytes. Cross-sectional SEM observations for a positive electrode layer reveal that sulfide electrolyte coating on active material particles increases interface areas even with a minimum volume of electrolyte, indicating that the energy density of bulk-type solid-state batteries is enhanced. Both surface coating

Oxygen exchange and ice melt measured at the ice-water interface by eddy correlation

DEFF Research Database (Denmark)

Long, M.H.; Koopmans, D.; Berg, P.

2012-01-01

heterotrophic with a daily gross primary production of 0.69 mmol O2 mĝ̂'2 dĝ̂'1 and a respiration rate of ĝ̂'2.13 mmol O2 mĝ̂'2 dĝ̂'1 leading to a net ecosystem metabolism of ĝ̂'1.45 mmol O2 mĝ̂'2 dĝ̂'1. This application of the eddy correlation technique produced high temporal resolution O2 fluxes and ice melt......This study examined fluxes across the ice-water interface utilizing the eddy correlation technique. Temperature eddy correlation systems were used to determine rates of ice melting and freezing, and O2 eddy correlation systems were used to examine O2 exchange rates driven by biological and physical...

Microscopic theory of the liquid-solid interface of 4He

International Nuclear Information System (INIS)

Pederiva, F.; Fantoni, S.; Reatto, L.

1995-01-01

Based on the shadow wave function we have developed the first microscopic theory of the interface between a quantum liquid and solid. We overcome the difficulties present in other variational theories because no a priori equilibrium positions for the atoms have to be assumed and localization of particles is exclusively due to interparticle correlations. We find that the crystalline order parameters vary smoothly over the interface and the interface itself is mobile. We have extended the previous work to the interface of a fcc crystal of 4 He. The interfacial energy is 0.16 K/angstrom 2 , the width of the interface is about 15 angstrom and the local density has a dip on the liquid side

Automated realization of the gallium melting and triple points

Science.gov (United States)

Yan, X.; Duan, Y.; Zhang, J. T.; Wang, W.

2013-09-01

In order to improve the automation and convenience of the process involved in realizing the gallium fixed points, an automated apparatus, based on thermoelectric and heat pipe technologies, was designed and developed. This paper describes the apparatus design and procedures for freezing gallium mantles and realizing gallium melting and triple points. Also, investigations on the melting behavior of a gallium melting point cell and of gallium triple point cells were carried out while controlling the temperature outside the gallium point cells at 30 °C, 30.5 °C, 31 °C, and 31.5 °C. The obtained melting plateau curves show dentate temperature oscillations on the melting plateaus for the gallium point cells when thermal couplings occurred between the outer and inner liquid-solid interfaces. The maximum amplitude of the temperature fluctuations was about 1.5 mK. Therefore, the temperature oscillations can be used to indicate the ending of the equilibrium phase transitions. The duration and amplitude of such temperature oscillations depend on the temperature difference between the setting temperature and the gallium point temperature; the smaller the temperature difference, the longer the duration of both the melting plateaus and the temperature fluctuations.

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

Nonplanar loops leave the Veneziano model photon massless

NARCIS (Netherlands)

Foda, O.

1987-01-01

The absence of a pole at p2=0 in the orientable nonplanar one-loop photon self-energy in the Veneziano model is verified. Thus the photon remains massless, and spontaneous symmetry breaking - at least as reported in this context in the literature - is not found.

Nonplanar loops leave the Veneziano model photon massless

International Nuclear Information System (INIS)

Foda, O.

1987-01-01

The absence of a pole at p 2 =0 in the orientable nonplanar one-loop photon self-energy in the Veneziano model is verified. Thus the photon remains massless, and spontaneous symmetry breaking - at least as reported in this context in the literature - is not found. (orig.)

Nonplanar loops leave the Veneziano model photon massless

Energy Technology Data Exchange (ETDEWEB)

Foda, O.

1987-04-16

The absence of a pole at p/sup 2/=0 in the orientable nonplanar one-loop photon self-energy in the Veneziano model is verified. Thus the photon remains massless, and spontaneous symmetry breaking - at least as reported in this context in the literature - is not found.

Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

Science.gov (United States)

Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

2013-08-22

We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

In situ observation of Ag-Cu-Ti liquid alloy/solid oxide interfaces

Energy Technology Data Exchange (ETDEWEB)

Durov, O.V. [Frantsevich Institute for Problems of Materials Science of NASU, 3 Krzhyzhanovsky Street, Kiev 142, 03680 (Ukraine)], E-mail: avdu@ukr.net; Krasovskyy, V.P. [Frantsevich Institute for Problems of Materials Science of NASU, 3 Krzhyzhanovsky Street, Kiev 142, 03680 (Ukraine)

2008-11-15

In situ investigation methods are a very interesting means for understanding high-temperature interface processes. A method of direct observation of the interactions between transparent materials (Al{sub 2}O{sub 3}, SiO{sub 2}, CaF{sub 2}) and metal melts was elaborated. For the Ag-36.65 at.%Cu-8.15 at.%Ti/sapphire system, the formation of a dark compound at the interface was observed to occur at high temperature. This result does not confirm the conclusion of a neutron spectroscopy study which indicated that titanium oxides form at the interface only during solidification of the alloy. Interactions of the same alloy with SiO{sub 2} and CaF{sub 2} were also considered.

Segregation of chain ends to polymer melt surfaces and interfaces

International Nuclear Information System (INIS)

Zhao, W.; Zhao, X.; Rafailovich, M.H.; Sokolov, J.; Composto, R.J.; Smith, S.D.; Satkowski, M.; Russell, T.P.; Dozier, W.D.; Mansfield, T.

1993-01-01

The conformation of polymer chains in the melt near an impenetrable boundary has recently been studied by molecular dynamics and off-lattice Monte Carlo simulations. Both types of calculations show an enhancement of the chain end density within a distance of approximately two polymer segment lengths of the interface relative to the bulk. In the absence of preferential interactions between monomers and the interface, the segregation arises from minimizing the loss of conformational entropy near an impenetrable boundary; i.e., by positioning an end near the surface, only one unit rather than two is reflected. In order to obtain an experimental measure of this effect, monodisperse polystyrene (PS) chains of molecular weight 63 000 with short blocks of deuterated polystyrene (dPS) at each end were prepared. The block length was kept as short as possible, while yet producing sufficient neutron scattering contrast in order to minimize any preferential surface segregation due to isotopic effects. The synthesis was carried out via living anionic polymerization of a purified styrene monomer in cyclohexane at 60 C, utilizing sec-butyllithium as the initiator. The process was terminated using degassed methanol

Considerations in modelling the melting of fuel containing fission products and solute oxides

International Nuclear Information System (INIS)

Akbari, F.; Welland, M.J.; Lewis, B.J.; Thompson, W.T.

2005-01-01

It is well known that the oxidation of a defected fuel element by steam gives rise to an increase in O/U ratio with a consequent lowering of the incipient melting temperature. Concurrently, the hyperstoichiometry reduces the thermal conductivity thereby raising the centerline fuel pellet temperature for a fixed linear power. The development of fission products soluble in the UO 2 phase or, more important, the deliberate introduction of additive oxides in advanced CANDU fuel bundle designs further affects and generally lowers the incipient melting temperature. For these reasons, the modeling of the molten (hyperstoichiometric) UO 2 phase containing several solute oxides (ZrO 2 , Ln 2 O 3 and AnO 2 ) is advancing in the expectation of developing a moving boundary heat and mass transfer model aimed at better defining the limits of safe operating practice as burnup advances. The paper describes how the molten phase stability model is constructed. The redistribution of components across the solid-liquid interface that attends the onset of melting of a non-stoichiometric UO 2 containing several solutes will be discussed. The issues of how to introduce boundary conditions into heat transfer calculations consistent with the requirements of the Phase Rule will be addressed. The Stefan problem of a moving boundary associated with the solid/liquid interface sets this treatment apart from conventional heat and mass transfer problems. (author)

Effect Of Adding Sago Flour In Yoghurt Based On Viscosity, Overrun, Melting Rate And Total Solid Of Yoghurt Ice Cream

Directory of Open Access Journals (Sweden)

Ika Ayu Wijayanti

2017-03-01

Full Text Available The purpose of this research was to find out the best concentration of adding sago flour in yoghurt based on viscosity, overrun, melting rate and total solid of yoghurt ice cream. The experiment was designed by Completely Randomized Design (CRD using four treatments were 0 %, 2 %, 4 %, 6 % from volume of fresh milk and four replication. The data were analyzed by using Analysis of Variance (ANOVA and continued by Duncan’s Multiple Range Test (DMRT. Result of this research showed that concentration of adding sago flour in yoghurt gave highly significant difference effect (P<0.01 on viscosity, overrun, melting rate and total solid of yoghurt ice cream. It can be concluded that the adding of sago flour 2% in yoghurt gave the best result with the viscosity was 1750.75 cP, overrun was 25.14%, melting rate was 39.13 minutes/50 g, total solid was 36.20% and gave the best quality of yoghurt ice cream.

Solid-assisted melt disintegration (SAMD), a novel technique for metal powder production

International Nuclear Information System (INIS)

Akhlaghi, F.; Esfandiari, H.

2007-01-01

A new process termed 'solid-assisted melt disintegration (SAMD)' has been developed for the preparation of aluminum alloy powder particles. The method consists of introducing and mixing a specified amount of as-received alumina particles (in the range of +700 to 500 μm) in A356 aluminum melt at the temperature of 715 deg. C. Melt disintegration occurs in 10 min by kinetic energy transfer from a rotating impeller (450 rpm) to the metal via the solid atomizing medium (alumina particles). The resulting mixture of aluminum droplets and alumina particles was cooled in air and screened through 300 μm sieve to separate alumina from solidified aluminum powder particles. A356 aluminum alloy was also gas atomized by using a free-fall atomizer operating by nitrogen gas at the pressure of 1.1 MPa and the sub-300 μm of the produced powder was used as a base of comparison. The SAMD produced powders of diameter above 53 μm were mostly spherical while powders less than 53 μm showed various elongated shapes. No evidence was found for satelliting of small particles on to large ones or agglomerated particles. While gas atomized particles in the +53 μm sieve size range showed some signs of porosity, the SAMD particles were dense and did not show any signs of internal porosity in any of the sieve fractions investigated. Comparison of the microstructure of the SAMD and gas-atomized powders revealed that for the same size powder of A356 alloy, the former exhibited a coarser microstructure as a result of a slower cooling rate

Solid state physics advances in research and applications

CERN Document Server

Ehrenreich, Henry

1994-01-01

The latest volume in the world renowned Solid State Physics series marks the fruition of Founding Editor David Turnbull''s outstanding tenure as series editor. Volume 47 presents five articles written by leadingexperts on areas including crystal-melt interfacial tension, order-disorder transformation in alloys, brittle matrix composites, surfaces and interfaces, and magnetoresistance.

Interface control document between PUREX/UO3 Plant Transition and Solid Waste Disposal Division

International Nuclear Information System (INIS)

Duncan, D.R.

1994-01-01

This interface control document (ICD) between PUREX/UO 3 Plant Transition (PPT) and Solid Waste Disposal Division (SWD) establishes at a top level the functional responsibilities of each division where interfaces exist between the two divisions. Since the PUREX Transition and Solid Waste Disposal divisions operate autonomously, it is important that each division has a clear understanding of the other division's expectations regarding these interfaces. This ICD primarily deals with solid wastes generated by the PPT. In addition to delineating functional responsibilities, the ICD includes a baseline description of those wastes that will require management as part of the interface between the divisions. The baseline description of wastes includes waste volumes and timing for use in planning the proper waste management capabilities: the primary purpose of this ICD is to ensure defensibility of expected waste stream volumes and Characteristics for future waste management facilities. Waste descriptions must be as complete as-possible to ensure adequate treatment, storage, and disposal capability will exist. The ICD also facilitates integration of existing or planned waste management capabilities of the PUREX. Transition and Solid Waste Disposal divisions. The ICD does not impact or affect the existing processes or procedures for shipping, packaging, or approval for shipping wastes by generators to the Solid Waste Division

Silica-based microstructures on nonplanar substrates by femtosecond laser-induced nonlinear lithography

International Nuclear Information System (INIS)

Mizoshiri, M; Nishiyama, H; Hirata, Y; Nishii, J

2009-01-01

We developed a technique for the formation of nonplanar surfaces of inorganic optical materials by a combined process of nonlinear lithography and plasma etching. This technique can be used to fabricate structures even on non-flat substrates, which is difficult using current semiconductor technology. Three-dimensional patterns were written directly inside a positive-tone photoresist using femtosecond laser-induced nonlinear optical absorption. The patterns were then transferred to underlying nonplanar substrates by the ion beam etching technique. For the lithographic process, we obtained a minimum feature size of 900 nm, which is below the diffraction limit. We demonstrated the fabrication of silica-based hybrid diffractive-refractive lenses. Fresnel zone plates with smooth surfaces were obtained on convex microlenses. When a 633-nm-wavelength He-Ne laser was coupled normally to the hybrid lens, the primary focal length was measured as 630 μm. This hybridization shifted the focal length by 200 μm, which agreed with the theoretical value. Our process is useful for the precise fabrication of nonplanar structures based on inorganic materials.

A comparative study of the effect of spray drying and hot-melt extrusion on the properties of amorphous solid dispersions containing felodipine.

Science.gov (United States)

Mahmah, Osama; Tabbakh, Rami; Kelly, Adrian; Paradkar, Anant

2014-02-01

To compare the properties of solid dispersions of felodipine for oral bioavailability enhancement using two different polymers, polyvinylpyrrolidone (PVP) and hydroxypropyl methylcellulose acetate succinate (HPMCAS), by hot-melt extrusion (HME) and spray drying. Felodipine solid dispersions were prepared by HME and spray drying techniques. PVP and HPMCAS were used as polymer matrices at different drug : polymer ratios (1 : 1, 1 : 2 and 1 : 3). Detailed characterization was performed using differential scanning calorimetry, powder X-ray diffractometry, scanning electron microscopy and in-vitro dissolution testing. Dissolution profiles were evaluated in the presence of sodium dodecyl sulphate. Stability of different solid dispersions was studied under accelerated conditions (40°C/75% RH) over 8 weeks. Spray-dried formulations were found to release felodipine faster than melt extruded formulations for both polymer matrices. Solid dispersions containing HMPCAS exhibited higher drug release rates and better wettability than those produced with a PVP matrix. No significant differences in stability were observed except with HPMCAS at a 1 : 1 ratio, where crystallization was detected in spray-dried formulations. Solid dispersions of felodipine produced by spray drying exhibited more rapid drug release than corresponding melt extruded formulations, although in some cases improved stability was observed for melt extruded formulations. © 2013 Royal Pharmaceutical Society.

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.

Dynamics of solid nanoparticles near a liquid-liquid interface

Science.gov (United States)

Daher, Ali; Ammar, Amine; Hijazi, Abbas

2018-05-01

The liquid - liquid interface can be used as a suitable medium for generating some nanostructured films of metals, or inorganic materials such as semi conducting metals. This process can be controlled well if we study the dynamics of nanoparticles (NPs) at the liquid-liquid interface which is a new field of study, and is not understood well yet. The dynamics of NPs at liquid-liquid interfaces is investigated by solving the fluid-particle and particle-particle interactions. Our work is based on the Molecular Dynamics (MD) simulation in addition to Phase Field (PF) method. We modeled the liquid-liquid interface using the diffuse interface model, where the interface is considered to have a characteristic thickness. We have shown that the concentration gradient of one fluid in the other gives rise to a hydrodynamic force that drives the NPs to agglomerate at the interface. These obtained results may introduce new applications where certain interfaces can be considered to be suitable mediums for the synthesis of nanostructured materials. In addition, some liquid interfaces can play the role of effective filters for different species of biological NPs and solid state waste NPs, which will be very important in many industrial and biomedical domains.

Interface between Sn-Sb-Cu solder and copper substrate

Energy Technology Data Exchange (ETDEWEB)

Sebo, P., E-mail: Pavel.Sebo@savba.sk [Institute of Materials and Machine Mechanics, Slovak Academy of Sciences, Racianska 75, 831 02 Bratislava 3 (Slovakia); Svec, P. [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava 45 (Slovakia); Faculty of Materials Science and Technology, Slovak University of Technology, J. Bottu 25, 917 24 Trnava (Slovakia); Janickovic, D.; Illekova, E. [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava 45 (Slovakia); Plevachuk, Yu. [Ivan Franko National University, Department of Metal Physics, 79005 Lviv (Ukraine)

2011-07-15

Highlights: {yields} New lead-free solder materials based on Sn-Sb-Cu were designed and prepared. {yields} Melting and solidification temperatures of the solders have been determined. {yields} Cu-substrate/solder interaction has been analyzed and quantified. {yields} Phases formed at the solder-substrate interface have been identified. {yields} Composition and soldering atmospheres were correlated with joint strength. - Abstract: Influence of antimony and copper in Sn-Sb-Cu solder on the melting and solidification temperatures and on the microstructure of the interface between the solder and copper substrate after wetting the substrate at 623 K for 1800 s were studied. Microstructure of the interface between the solder and copper substrates in Cu-solder-Cu joints prepared at the same temperature for 1800 s was observed and shear strength of the joints was measured. Influence of the atmosphere - air with the flux and deoxidising N{sub 2} + 10H{sub 2} gas - was taken into account. Thermal stability and microstructure were studied by differential scanning calorimetry (DSC), light microscopy, scanning electron microscopy (SEM) with energy-dispersive spectrometry (EDS) and X-ray diffraction (XRD). Melting and solidification temperatures of the solders were determined. An interfacial transition zone was formed by diffusion reaction between solid copper and liquid solder. At the interface Cu{sub 3}Sn and Cu{sub 6}Sn{sub 5} phases arise. Cu{sub 3}Sn is adjacent to the Cu substrate and its thickness decreases with increasing the amount of copper in solder. Scallop Cu{sub 6}Sn{sub 5} phase is formed also inside the solder drop. The solid solution Sn(Sb) and SbSn phase compose the interior of the solder drop. Shear strength of the joints measured by push-off method decreases with increasing Sb concentration. Copper in the solder shows even bigger negative effect on the strength.

The effect of heat currents on the stability of the liquid solid interface

International Nuclear Information System (INIS)

Bowley, R.M.; Nozieres, P.

1992-01-01

Rapid changing of the temperature of a liquid in equilibrium with its solid can lead to instabilities of the interface in two ways : the change in pressure, induced by a temperature change at the interface, leads to a uniaxial stress which can cause a Grinfeld instability at the capillary wavelength; a temperature gradient is set up which modifies the effective gravity at the interface. When the effective gravity becomes negative, the interface is unstable at very long wavelengths. For a superfluid, such as 4 He, the situation is more complex. If we ignore surface dissipation, there is still a small critical temperature gradient across the solid above which the interface is unstable. However surface dissipation -in particular the growth resistance- pushes the instability to huge temperature gradients, ones which cannot be realised experimentally. The only instability that can be seen is caused by uniaxial stress

GeoMelt{sup R} ICV{sup TM} Treatment of Sellafield Pond Solids Waste - 13414

Energy Technology Data Exchange (ETDEWEB)

Witwer, Keith; Woosley, Steve; Campbell, Brett [Kurion, Inc., GeoMelt Division, 3015 Horn Rapids Road, Richland, Washington (United States); Wong, Martin; Hill, Joanne [AMEC Inc., Birchwood Park, 601 Faraday Street, Birchwood, Warrington, WA3 6GN (United Kingdom)

2013-07-01

Kurion, Inc., in partnership with AMEC Ltd., is demonstrating its GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} Technology to Sellafield Ltd. (SL). SL is evaluating the proposition of directly converting a container (skip/box/drum) of raw solid ILW into an immobilized waste form using thermal treatment, such that the resulting product is suitable for interim storage at Sellafield and subsequent disposal at a future Geological Disposal Facility. Potential SL feed streams include sludges, ion-exchange media, sand, plutonium contaminated material, concrete, uranium, fuel cladding, soils, metals, and decommissioning wastes. The solid wastes have significant proportions of metallic constituents in the form of containers, plant equipment, structural material and swarf arising from the nuclear operations at Sellafield. GeoMelt's proprietary ICV process was selected for demonstration, with the focus being high and reactive metal wastes arising from solid ILW material. A composite surrogate recipe was used to demonstrate the technology towards treating waste forms of diverse types and shapes, as well as those considered difficult to process; all the while requiring few (if any) pre-treatment activities. Key strategic objectives, along with their success criterion, were established by SL for this testing, namely: 1. Passivate and stabilize the raw waste simulant, as demonstrated by the entire quantity of material being vitrified, 2. Immobilize the radiological and chemo-toxic species, as demonstrated via indicative mass balance using elemental analyses from an array of samples, 3. Production of an inert and durable product as evidenced by transformation of reactive metals to their inert oxide forms and satisfactory leachability results using PCT testing. Two tests were performed using the GeoMelt Demonstration Unit located at AMEC's Birchwood Park Facilities in the UK. Post-melt examination of the first test indicated some of the waste simulant had not

Engineering the Membrane/Electrode Interface To Improve the Performance of Solid-State Supercapacitors.

Science.gov (United States)

Huang, Chun; Zhang, Jin; Snaith, Henry J; Grant, Patrick S

2016-08-17

This paper investigates the effect of adding a 450 nm layer based on porous TiO2 at the interface between a 4.5 μm carbon/TiO2 nanoparticle-based electrode and a polymer electrolyte membrane as a route to improve energy storage performance in solid-state supercapacitors. Electrochemical characterization showed that adding the interface layer reduced charge transfer resistance, promoted more efficient ion transfer across the interface, and significantly improved charge/discharge dynamics in a solid-state supercapacitor, resulting in an increased areal capacitance from 45.3 to 111.1 mF cm(-2) per electrode at 0.4 mA cm(-2).

Heat Melt Compaction as an Effective Treatment for Eliminating Microorganisms from Solid Waste

Science.gov (United States)

Hummerick, Mary P.; Strayer, Richard F.; McCoy, Lashelle E.; Richards, Jeffrey T.; Ruby, Anna Maria; Wheeler, Ray; Fisher, John

2013-01-01

One of the technologies being tested at NASA Ames Research Center (ARC) for the Advance Exploration Systems program and as part of the logistics and repurposing project is heat melt compaction (HMC) of solid waste. Reduces volume, removes water and renders a biologically stable and safe product. The HMC compacts and reduces the trash volume as much as 90o/o greater than the current manual compaction used by the crew.The project has three primary goals or tasks. 1. Microbiological analysis of HMC hardware surfaces before and after operation. 2. Microbiological and physical characterizations of heat melt tiles made from trash at different processing times and temperatures. 3. Long term storage and stability of HMC trash tiles or "Do the bugs grow back?"

In situ scanning probe spectroscopy at nanoscale solid/liquid interfaces

International Nuclear Information System (INIS)

Schindler, W.; Hugelmann, M.; Hugelmann, Ph.

2005-01-01

Electrochemistry provides unique features for the preparation of low-dimensional structures, but in situ spectroscopy with atomic/molecular resolution at such structures is at present not well established yet. This paper shows that in situ scanning probe spectroscopy at solid/liquid interfaces can be utilized to study electronic properties at nanoscale, if appropriate conditions are applied. Tunneling spectroscopy provides information about tunneling barrier heights and electronic states in the tunneling gap, as shown on Au(1 1 1) substrates, contact spectroscopy allows for transport measurements at single nanostructures, as shown at Au/n-Si(1 1 1) nanodiodes. The influence of the electrolytic environment on spectroscopic investigations is not a principal limitation, but offers additional degrees of freedom, which allow, for example, spectroscopic studies of potential dependent surface phenomena at solid/liquid interfaces

Controlling the Accumulation of Water at Oil-Solid Interfaces with Gradient Coating.

Science.gov (United States)

Li, Yan; Yang, Qiaomu; Mei, Ran Andy; Cai, Meirong; Heng, Jerry Y Y; Yang, Zhongqiang

2017-07-13

In this work, we demonstrate a strategy to control the accumulation of water in the oil-solid interface using a gradient coating. Gradient chemistry on glass surface is created by vapor diffusion of organosilanes, leading to a range of contact angles from 110 to 20°. Hexadecane is placed on the gradient substrate as an oil layer, forming a "water/hexadecane/gradient solid substrate" sandwich structure. During incubation, water molecules spontaneously migrate through the micrometer-thick oil layer and result in the formation of micrometer-sized water droplets at the oil-solid interface. It turns out that water droplets at more hydrophobic regions tend to be closer to a regular spherical shape, which is attributed to their higher contact angle with the hydrophobic substrate. However, along the gradient from hydrophobic to hydrophilic, the water droplets gradually form more irregular shapes, as hydrophilic surfaces pin the edges of droplets to form a distorted morphology. It indicates that more hydrophilic surfaces containing more Si-OH groups lead to a higher electrostatic interaction with water and a higher growth rate of interfacial water droplets. This work provides further insights into the mechanism of spontaneous water accumulation at oil-solid interfaces and assists in the rational design for controlling such interfacial phenomenon.

An ordered metallic glass solid solution phase that grows from the melt like a crystal

International Nuclear Information System (INIS)

Chapman, Karena W.; Chupas, Peter J.; Long, Gabrielle G.; Bendersky, Leonid A.; Levine, Lyle E.; Mompiou, Frédéric; Stalick, Judith K.; Cahn, John W.

2014-01-01

We report structural studies of an Al–Fe–Si glassy solid that is a solid solution phase in the classical thermodynamic sense. We demonstrate that it is neither a frozen melt nor nanocrystalline. The glass has a well-defined solubility limit and rejects Al during formation from the melt. The pair distribution function of the glass reveals chemical ordering out to at least 12 Å that resembles the ordering within a stable crystalline intermetallic phase of neighboring composition. Under isothermal annealing at 305 °C the glass first rejects Al, then persists for approximately 1 h with no detectable change in structure, and finally is transformed by a first-order phase transition to a crystalline phase with a structure that is different from that within the glass. It is possible that this remarkable glass phase has a fully ordered atomic structure that nevertheless possesses no long-range translational symmetry and is isotropic

Interfacial phase formation of Al-Cu bimetal by solid-liquid casting method

Directory of Open Access Journals (Sweden)

Ying Fu

2017-05-01

Full Text Available The solid-liquid method was used to prepare the continuous casting of copper cladding aluminium by liquid aluminum alloy and solid copper, and the interfacial phase formation of Al-Cu bimetal at different pouring temperatures (700, 750, 800 oC was investigated by means of metallograph, scanning electron microscopy (SEM and energy dispersive spectrometry (EDS methods. The results showed that the pouring temperature of aluminum melt had an important influence on the element diffusion of Cu from the solid Cu to Al alloy melt and the reactions between Al and Cu, as well as the morphology of the Al-Cu interface. When the pouring temperature was 800 oC, there were abundant Al-Cu intermetallic compounds (IMCs near the interface. However, a lower pouring temperature (700 oC resulted in the formation of cavities which was detrimental to the bonding and mechanical properties. Under the conditions in this study, the good metallurgical bonding of Al-Cu was achieved at a pouring temperature of 750 oC.

A 2D double-porosity model for melting and melt migration beneath mid-oceanic ridges

Science.gov (United States)

Liu, B.; Liang, Y.; Parmentier, E.

2017-12-01

Several lines of evidence suggest that the melting and melt extraction region of the MORB mantle is heterogeneous consisting of an interconnected network of high permeability dunite channels in a low porosity harzburgite or lherzolite matrix. In principle, one can include channel formation into the tectonic-scale geodynamic models by solving conservation equations for a chemically reactive and viscously deformable porous medium. Such an approach eventually runs into computational limitations such as resolving fractal-like channels that have a spectrum of width. To better understand first order features of melting and melt-rock interaction beneath MOR, we have formulated a 2D double porosity model in which we treat the triangular melting region as two overlapping continua occupied by the low-porosity matrix and interconnected high-porosity channels. We use melt productivity derived from a thermodynamic model and melt suction rate to close our problem. We use a high-order accurate numerical method to solve the conservation equations in 2D for porosity, solid and melt velocities and concentrations of chemical tracers in the melting region. We carry out numerical simulations to systematically study effects of matrix-to-channel melt suction and spatially distributed channels on the distributions of porosity and trace element and isotopic ratios in the melting region. For near fractional melting with 10 vol% channel in the melting region, the flow field of the matrix melt follows closely to that of the solid because the small porosity (exchange between the melt and the solid. The smearing effect can be approximated by dispersion coefficient. For slowly diffusing trace elements (e.g., LREE and HFSE), the melt migration induced dispersion can be as effective as thermal diffusion. Therefore, sub-kilometer scale heterogeneities of Nd and Hf isotopes are significantly damped or homogenized in the melting region.

The structure of the solid-liquid interface: atomic size effect; La structure de l'interface solide-liquide: effet de taille atomique

Energy Technology Data Exchange (ETDEWEB)

Geysermans, P.; Pontikis, V. [Centre National de la Recherche Scientifique (CNRS), 94 - Vitry-sur-Seine (France). Centre d' Etudes de Chimie Metallurgique

2002-09-01

The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size ({sigma}) and energy ({epsilon}) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites ({chi}={sigma}{sub 1}/{sigma}{sub 2}) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the {chi} value. (authors)

Electrolyte for batteries with regenerative solid electrolyte interface

Science.gov (United States)

Xiao, Jie; Lu, Dongping; Shao, Yuyan; Bennett, Wendy D.; Graff, Gordon L.; Liu, Jun; Zhang, Ji-Guang

2017-08-01

An energy storage device comprising: an anode; and a solute-containing electrolyte composition wherein the solute concentration in the electrolyte composition is sufficiently high to form a regenerative solid electrolyte interface layer on a surface of the anode only during charging of the energy storage device, wherein the regenerative layer comprises at least one solute or solvated solute from the electrolyte composition.

Constrained Quantum Mechanics: Chaos in Non-Planar Billiards

Science.gov (United States)

Salazar, R.; Tellez, G.

2012-01-01

We illustrate some of the techniques to identify chaos signatures at the quantum level using as guiding examples some systems where a particle is constrained to move on a radial symmetric, but non-planar, surface. In particular, two systems are studied: the case of a cone with an arbitrary contour or "dunce hat billiard" and the rectangular…

A Novel Non-Planar Transverse Stretching Process for Micro-Porous PTFE Membranes and Resulting Characteristics

KAUST Repository

Chang, Y.-H.

2018-02-26

Polytetrafluoroethylene (PTFE) micro-porous membranes were prepared from PTFE fine powder through extruding, rolling, and uniaxial longitudinally stretching. In contrast to conventional planar transverse stretching, a novel 3D mold design of non-planar transverse stretching process was employed in this study to produce micro-porous structure. The morphology, membrane thickness, mean pore size, and porosity of the PTFE membrane were investigated. The results show that the non-planar transverse stretched membranes exhibit more uniform average pore diameter with thinner membrane thickness. Morphological changes induced by planar and non-planar transverse stretching for pore characteristics were investigated. The stretching conditions, stretching temperature and rate, affect the stretched membrane. Increasing temperature facilitated the uniformity of pore size and uniformity of membrane thickness. Moreover, increase in stretching rate resulted in finer pore size and thinner membrane.

Semi-solid process of 2024 wrought aluminum alloy by strain induced melt activation

Directory of Open Access Journals (Sweden)

Surachai Numsarapatnuk

2013-10-01

Full Text Available The aim of this study is to develop a production process of a fine globular structure feedstock of the 2024 aluminumalloy suitable for subsequent semi-solid forming. The 2024 wrought aluminum alloy was first annealed to reduce the effect ofwork hardening. Then, strain was induced in the alloy by cold compression. After that the microstructural evolution duringpartial melting was investigated. The samples were subjected to full annealing at 415°C for 3 hrs prior to cold compression of40% reduction of area (RA with 3 mm/min strain rate. After that samples were partially melted at 620°C with varying holdingtime from 0 to 60 min followed by water quenching. The grain size and the average grain diameter of solid grains weremeasured using the linear intercept method. The globularization was interpreted in terms of shape factor. Liquid fraction andthe distribution of the eutectic liquid was also investigated. It was found that during partial melting, the globular morphologywas formed by the liquid wetting and fragmentation of high angle boundaries of recrystallized grains. The suitable semi-solidmicrostructure was obtained from a condition of full annealing, 40% cold working and partial melting at 620°C for 6 minholding time. The near globular grains obtained in the range of 0-60 min consisted of uniform spheroid grains with an averagegrain diameter ranged from 73 to 121 m, quenched liquid fraction was approximately 13–27% and the shape factor was greaterthan 0.6. At a holding time of less than 6 min, grain coarsening was dominant by the immigration of high-angle grainboundaries. At a longer holding time, liquid fraction increased and Ostwald ripening was dominant. The coarsening rateconstant for the 2024 Al alloy was 400.36 mm3.s-1. At a soaking time of 60 min, it was found that a minimum diameter differencewas 1.06% with coarsening index n=3 in a power law equation. The non-dendritic slug of 2024 alloy was rapid compressedinto a disc with 90%RA

Diffraction of Elastic Waves in Fluid-Layered Solid Interfaces by an Integral Formulation

Directory of Open Access Journals (Sweden)

J. E. Basaldúa-Sánchez

2013-01-01

Full Text Available In the present communication, scattering of elastic waves in fluid-layered solid interfaces is studied. The indirect boundary element method is used to deal with this wave propagation phenomenon in 2D fluid-layered solid models. The source is represented by Hankel’s function of second kind and this is always applied in the fluid. Our method is an approximate boundary integral technique which is based upon an integral representation for scattered elastic waves using single-layer boundary sources. This approach is typically called indirect because the sources’ strengths are calculated as an intermediate step. In addition, this formulation is regarded as a realization of Huygens’ principle. The results are presented in frequency and time domains. Various aspects related to the different wave types that emerge from this kind of problems are emphasized. A near interface pulse generates changes in the pressure field and can be registered by receivers located in the fluid. In order to show the accuracy of our method, we validated the results with those obtained by the discrete wave number applied to a fluid-solid interface joining two half-spaces, one fluid and the other an elastic solid.

Melting behaviour of lead and bismuth nano-particles in ...

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

Abstract. Nanomaterials are playing an increasingly important role in mod- ern technologies. Interfaces are crucial in nanotechnology. In this study, we have examined the stability of nanoparticles. Major emphasis is on understanding the effect of interfaces on melting. Melting behaviour of nanocrystalline interfaces,.

Novel powder/solid composites possessing low Young’s modulus and tunable energy absorption capacity, fabricated by electron beam melting, for biomedical applications

International Nuclear Information System (INIS)

Ikeo, Naoko; Ishimoto, Takuya; Nakano, Takayoshi

2015-01-01

Highlights: • We fabricated novel porous composites by electron beam melting. • The composites consist of necked powder and melted solid framework. • Unmelted powder that is usually discarded was mechanically functionalized by necking. • The composites possess controllably low Young’s modulus and excellent toughness. • The composites would be promising for utilization in biomedical applications. - Abstract: A novel, hierarchical, porous composite from a single material composed of necked powder and melted solid, with tunable mechanical properties, is fabricated by electron beam melting and subsequent heat treatment. The composite demonstrates low Young’s modulus (⩽31 GPa) and excellent energy absorption capacity, both of which are necessary for use in orthopedic applications. To the best of our knowledge, this is the first report on the synthesis of a material combining controllably low Young’s modulus and excellent toughness

Research and development on the melting test of low-level radioactive miscellaneous solid waste

International Nuclear Information System (INIS)

Nakashio, Nobuyuki; Hoshi, Akiko; Kameo, Yutaka; Nakashima, Mikio

2007-02-01

The Nuclear Science Research Institute of the Japan Atomic Energy Agency constructed the Advanced Volume Reduction Facilities (AVRF) in February 2003 for treatment of low-level radioactive miscellaneous solid waste (LLW). The waste volume reduction is carried out by a high-compaction process or melting processes in the AVRF. In advance of operating the melting process in the AVRF, melting tests of simulated LLW with RI tracers ( 60 Co, 137 Cs and 152 Eu) have been conducted by using the plasma melter in pilot scale. Viscosity of molten waste, chemical composition and physical properties of solidified products and distribution of the tracers in each product were investigated in various melting conditions. It was confirmed that the viscosity of molten waste was able to be controlled by adjusting chemical composition of molten waste. The RI tracer were almost uniformly distributed in the solidified products. The retention of 137 Cs depended on the basicity (CaO/SiO 2 ) of the solidified products. The solidified product possessed satisfactory compressive strength. In the case of basicity less than 0.8, the leachability of RI tracers from the solidified products was less than or equal to that of a high-level vitrified waste. In this review, experimental results of the melting tests were discussed in order to contribute to actual treatment of LLW in the AVRF. (author)

Elucidation and visualization of solid-state transformation and mixing in a pharmaceutical mini hot melt extrusion process using in-line Raman spectroscopy.

Science.gov (United States)

Van Renterghem, Jeroen; Kumar, Ashish; Vervaet, Chris; Remon, Jean Paul; Nopens, Ingmar; Vander Heyden, Yvan; De Beer, Thomas

2017-01-30

Mixing of raw materials (drug+polymer) in the investigated mini pharma melt extruder is achieved by using co-rotating conical twin screws and an internal recirculation channel. In-line Raman spectroscopy was implemented in the barrels, allowing monitoring of the melt during processing. The aim of this study was twofold: to investigate (I) the influence of key process parameters (screw speed - barrel temperature) upon the product solid-state transformation during processing of a sustained release formulation in recirculation mode; (II) the influence of process parameters (screw speed - barrel temperature - recirculation time) upon mixing of a crystalline drug (tracer) in an amorphous polymer carrier by means of residence time distribution (RTD) measurements. The results indicated a faster mixing endpoint with increasing screw speed. Processing a high drug load formulation above the drug melting temperature resulted in the production of amorphous drug whereas processing below the drug melting point produced solid dispersions with partially amorphous/crystalline drug. Furthermore, increasing the screw speed resulted in lower drug crystallinity of the solid dispersion. RTD measurements elucidated the improved mixing capacity when using the recirculation channel. In-line Raman spectroscopy has shown to be an adequate PAT-tool for product solid-state monitoring and elucidation of the mixing behavior during processing in a mini extruder. Copyright © 2016 Elsevier B.V. All rights reserved.

On the sliding friction at the interface between a fluid and a solid

International Nuclear Information System (INIS)

Minetti-Mezzetti, E.

1976-01-01

A method is reported to investigate the possible existence and the numerical value of the sliding friction coefficient β at the contact interface between a fluid and a solid. Some preliminary experimental results at the interface glycerol-aluminium give 1/β -4 . (author)

Molecular-dynamics method for the simulation of bulk-solid interfaces at high temperatures

International Nuclear Information System (INIS)

Lutsko, J.F.; Wolf, D.; Yip, S.; Phillpot, S.R.; Nguyen, T.

1988-01-01

A new method for the molecular-dynamics simulation of bulk planar interfaces at high temperatures is presented. The method uses the basic Parrinello-Rahman (constant-stress) scheme, modified for the application to inhomogeneous systems. Since our computational cell contains only one interface with two-dimensional (2D) periodic border conditions, we are able to study isolated interfaces all the way up to melting. The interaction between boundaries which may lead to their annihilation at higher temperatures, which is a problem when 3D periodic borders are applied, is thus avoided. As an application, the method is used to study the stability of a grain boundary at high temperatures. Observations on a possible connection between grain-boundary migration and ''premelting'' are discussed

Biopolymers form a gelatinous microlayer at the air-sea interface when Arctic sea ice melts.

Science.gov (United States)

Galgani, Luisa; Piontek, Judith; Engel, Anja

2016-07-20

The interface layer between ocean and atmosphere is only a couple of micrometers thick but plays a critical role in climate relevant processes, including the air-sea exchange of gas and heat and the emission of primary organic aerosols (POA). Recent findings suggest that low-level cloud formation above the Arctic Ocean may be linked to organic polymers produced by marine microorganisms. Sea ice harbors high amounts of polymeric substances that are produced by cells growing within the sea-ice brine. Here, we report from a research cruise to the central Arctic Ocean in 2012. Our study shows that microbial polymers accumulate at the air-sea interface when the sea ice melts. Proteinaceous compounds represented the major fraction of polymers supporting the formation of a gelatinous interface microlayer and providing a hitherto unrecognized potential source of marine POA. Our study indicates a novel link between sea ice-ocean and atmosphere that may be sensitive to climate change.

Some remarks on non-planar Feynman diagrams

International Nuclear Information System (INIS)

Bielas, Krzysztof; Dubovyk, Ievgen; Gluza, Janusz

2013-12-01

Two criteria for planarity of a Feynman diagram upon its propagators (momentum ows) are presented. Instructive Mathematica programs that solve the problem and examples are provided. A simple geometric argument is used to show that while one can planarize non-planar graphs by embedding them on higher-genus surfaces (in the example it is a torus), there is still a problem with defining appropriate dual variables since the corresponding faces of the graph are absorbed by torus generators.

Some remarks on non-planar Feynman diagrams

Energy Technology Data Exchange (ETDEWEB)

Bielas, Krzysztof; Dubovyk, Ievgen; Gluza, Janusz [Silesia Univ., Katowice (Poland). Inst. of Physics; Riemann, Tord [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

2013-12-15

Two criteria for planarity of a Feynman diagram upon its propagators (momentum ows) are presented. Instructive Mathematica programs that solve the problem and examples are provided. A simple geometric argument is used to show that while one can planarize non-planar graphs by embedding them on higher-genus surfaces (in the example it is a torus), there is still a problem with defining appropriate dual variables since the corresponding faces of the graph are absorbed by torus generators.

Printing line/space patterns on nonplanar substrates using a digital micromirror device-based point-array scanning technique

Science.gov (United States)

Kuo, Hung-Fei; Kao, Guan-Hsuan; Zhu, Liang-Xiu; Hung, Kuo-Shu; Lin, Yu-Hsin

2018-02-01

This study used a digital micromirror device (DMD) to produce point-array patterns and employed a self-developed optical system to define line-and-space patterns on nonplanar substrates. First, field tracing was employed to analyze the aerial images of the lithographic system, which comprised an optical system and the DMD. Multiobjective particle swarm optimization was then applied to determine the spot overlapping rate used. The objective functions were set to minimize linewidth and maximize image log slope, through which the dose of the exposure agent could be effectively controlled and the quality of the nonplanar lithography could be enhanced. Laser beams with 405-nm wavelength were employed as the light source. Silicon substrates coated with photoresist were placed on a nonplanar translation stage. The DMD was used to produce lithographic patterns, during which the parameters were analyzed and optimized. The optimal delay time-sequence combinations were used to scan images of the patterns. Finally, an exposure linewidth of less than 10 μm was successfully achieved using the nonplanar lithographic process.

Experimental study of multilayer solid epitaxy: two-dimensional critical behavior of a quantum solid/superfluid interface

International Nuclear Information System (INIS)

Ramesh, S.

1985-01-01

This thesis constitutes the first precise, quantitative experimental study of layering transitions, two-dimensional critical temperatures, and their relation to surface roughening. The experiments used superfluid fourth sound to probe the liquid solid 4 He interface, by coupling with surface waves unique to this interface. An annular resonator with electric transducers was used to measure the fourth sound velocity c 4 in an exfoliated graphite (Grafoil) superleak. Measurements of the pressure dependence of the fourth sound resonance frequencies (and attenuation) from ∼6 bar to ∼26 bar were made along eight isotherms from 1.0 K to 1.7 K. Plots of fourth sound resonance frequency versus coverage clearly indicate layer-by-layer solid nucleation and epitaxal growth of hcp solid 4 He on the basal plane of graphite. Further analysis yielded solid adsorption isotherms and a kinetic growth coefficient for the 4 He crystal surface and also indicated the existence of a critical temperature region and also indicated the existence of a critical temperature region around 1.0-1.2 K (the region of a bulk roughening transition). The acoustical theory for the experimental system was worked out using a parallel waveguide model; Landau's thermohydrodynamic equations were reformulated by including the mass- and heat-exchange effects occurring in the system; the equations were solved to obtain expressions for the velocity of sound propagation and attenuation

Local Structure and Ionic Conduction at Interfaces of Electrode and Solid Electrolytes

OpenAIRE

Yamada, Hirotsohi; Oga, Yusuke; Saruwatari, Isamu; Moriguchi, Isamu

2012-01-01

All solid state batteries are attracting interests as next generation energy storage devices. However, little is known on interfaces between active materials and solid electrolytes, which may affect performance of the devices. In this study, interfacial phenomena between electrodes and solid electrolytes of all solid state batteries were investigated by using nano-composites of Li 2SiO 3-TiO 2, Li 2SiO 3-LiTiO 2, and Li 2SiO 3-FePO 4. Studies on ionic conductivity of these composites revealed...

Chemical durability of slag produced by thermal plasma melting of low-level miscellaneous solid wastes. Effects of slag composition

International Nuclear Information System (INIS)

Amakawa, Tadashi; Yasui, Shinji

2001-01-01

Low-level radioactive miscellaneous solid wastes are generated from commercial operation of nuclear power plants and will be generated from decommissioning of nuclear power plants in future. Static leaching tests were carried out in deionized water of 10degC on slag obtained by thermal plasma melting of simulating materials of the miscellaneous solids wastes with surrogate elements of radionuclides. It is found that logarithm of normalized elemental mass loss from the slag is proportional to the basicity represented by mole fractions of main structural oxides of the slag, such as SiO 2 , Al 2 O 3 , CaO, FeO and MgO. The range of static leaching rates from the slag is determined based on the above results and the basicity range of the miscellaneous solid wastes. Then we compared the leaching rates form the slag and from high level waste glasses. On these grounds, we concluded that the slag obtained by thermal plasma melting of miscellaneous solid wastes can stabilize radio-nuclides in it by no means inferior to the high level waste glasses. (author)

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

Simplified nonplanar wafer bonding for heterogeneous device integration

Science.gov (United States)

Geske, Jon; Bowers, John E.; Riley, Anton

2004-07-01

We demonstrate a simplified nonplanar wafer bonding technique for heterogeneous device integration. The improved technique can be used to laterally integrate dissimilar semiconductor device structures on a lattice-mismatched substrate. Using the technique, two different InP-based vertical-cavity surface-emitting laser active regions have been integrated onto GaAs without compromising the quality of the photoluminescence. Experimental and numerical simulation results are presented.

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

Effect of surfactant Te on the behavior of alumina inclusions at advancing solid-liquid interfaces of liquid steel

International Nuclear Information System (INIS)

Zheng, Lichun; Malfliet, Annelies; Wollants, Patrick; Blanpain, Bart; Guo, Muxing

2016-01-01

The effect of surfactant Te on the behavior of alumina inclusions at advancing solid-liquid interfaces of liquid steel was studied by adding Te to liquid steel before Al deoxidation at 1873 K. After water-quenching, the spatial distribution homogeneity of alumina inclusions in the steel matrix was characterized using the Dirichlet tessellation method. The deterioration of this homogeneity with increasing the addition of Te indicates that Te facilitates pushing of alumina inclusions. This phenomenon was discussed based on the thermodynamics of an asymmetric thin liquid film confined by an advancing solid-liquid interface and a particle. The surface excesses of Te at the solid-liquid and particle-liquid interfaces were theoretically demonstrated to decrease when an alumina inclusion moves towards the solid-liquid interface, thereby weakening the effect of Te on the solid-liquid and particle-liquid interfacial energies. Based on this, effect of surfactants was incorporated in the models predicting the critical velocity V_C.

An Automatic Multi-Target Independent Analysis Framework for Non-Planar Infrared-Visible Registration.

Science.gov (United States)

Sun, Xinglong; Xu, Tingfa; Zhang, Jizhou; Zhao, Zishu; Li, Yuankun

2017-07-26

In this paper, we propose a novel automatic multi-target registration framework for non-planar infrared-visible videos. Previous approaches usually analyzed multiple targets together and then estimated a global homography for the whole scene, however, these cannot achieve precise multi-target registration when the scenes are non-planar. Our framework is devoted to solving the problem using feature matching and multi-target tracking. The key idea is to analyze and register each target independently. We present a fast and robust feature matching strategy, where only the features on the corresponding foreground pairs are matched. Besides, new reservoirs based on the Gaussian criterion are created for all targets, and a multi-target tracking method is adopted to determine the relationships between the reservoirs and foreground blobs. With the matches in the corresponding reservoir, the homography of each target is computed according to its moving state. We tested our framework on both public near-planar and non-planar datasets. The results demonstrate that the proposed framework outperforms the state-of-the-art global registration method and the manual global registration matrix in all tested datasets.

In situ reflectivity investigations of solid/liquid interface during laser backside etching

International Nuclear Information System (INIS)

Boehme, R.; Otto, T.; Zimmer, K.

2006-01-01

In situ reflectivity measurements of the solid/liquid interface with a pump-probe setup were performed during laser-induced backside wet etching (LIBWE) of fused silica with KrF excimer laser using toluene as absorbing liquid. The intensity, the temporal shape, and the duration of the reflected light measured in dependence on the laser fluence are discussed referring to the surface modification and the bubble formation. The vaporisation of the superheated liquid at the solid interface causes a considerable increase of the reflectivity and gives information about the bubble lifetime. The alterations of the reflectivity after bubbles collapse can be explained with the changed optical properties due to surface modifications of the solid surface. Comparative studies of the reflectivity at different times and the etch rate behaviour in dependence on the laser fluence show that the in situ measured surface modification begins just at the etch threshold fluence and correlates further with etch rate behaviour and the etched surface appearance. The already observed surface modification at LIBWE due to a carbon deposition and structural changes of the near surface region are approved by the changes of the interface reflectivity and emphasizes the importance of the modified surface region in the laser-induced backside wet etching process

The electrochemical reduction processes of solid compounds in high temperature molten salts.

Science.gov (United States)

Xiao, Wei; Wang, Dihua

2014-05-21

Solid electrode processes fall in the central focus of electrochemistry due to their broad-based applications in electrochemical energy storage/conversion devices, sensors and electrochemical preparation. The electrolytic production of metals, alloys, semiconductors and oxides via the electrochemical reduction of solid compounds (especially solid oxides) in high temperature molten salts has been well demonstrated to be an effective and environmentally friendly process for refractory metal extraction, functional materials preparation as well as spent fuel reprocessing. The (electro)chemical reduction of solid compounds under cathodic polarizations generally accompanies a variety of changes at the cathode/melt electrochemical interface which result in diverse electrolytic products with different compositions, morphologies and microstructures. This report summarizes various (electro)chemical reactions taking place at the compound cathode/melt interface during the electrochemical reduction of solid compounds in molten salts, which mainly include: (1) the direct electro-deoxidation of solid oxides; (2) the deposition of the active metal together with the electrochemical reduction of solid oxides; (3) the electro-inclusion of cations from molten salts; (4) the dissolution-electrodeposition process, and (5) the electron hopping process and carbon deposition with the utilization of carbon-based anodes. The implications of the forenamed cathodic reactions on the energy efficiency, chemical compositions and microstructures of the electrolytic products are also discussed. We hope that a comprehensive understanding of the cathodic processes during the electrochemical reduction of solid compounds in molten salts could form a basis for developing a clean, energy efficient and affordable production process for advanced/engineering materials.

Measurement of solid-liquid interfacial energy in the In-Bi eutectic alloy at low melting temperature

International Nuclear Information System (INIS)

Marasli, N; Akbulut, S; Ocak, Y; Keslioglu, K; Boeyuek, U; Kaya, H; Cadirli, E

2007-01-01

The Gibbs-Thomson coefficient and solid-liquid interfacial energy of the solid In solution in equilibrium with In Bi eutectic liquid have been determined to be (1.46 ± 0.07) x 10 -7 K m and (40.4 ± 4.0) x 10 -3 J m -2 by observing the equilibrated grain boundary groove shapes. The grain boundary energy of the solid In solution phase has been calculated to be (79.0 ± 8.7) x 10 -3 J m -2 by considering force balance at the grain boundary grooves. The thermal conductivities of the In-12.4 at.% Bi eutectic liquid phase and the solid In solution phase and their ratio at the eutectic melting temperature (72 deg. C) have also been measured with radial heat flow apparatus and Bridgman-type growth apparatus

Analytical model for the effects of wetting on thermal boundary conductance across solid/classical liquid interfaces

Energy Technology Data Exchange (ETDEWEB)

Caplan, Matthew E.; Giri, Ashutosh; Hopkins, Patrick E., E-mail: phopkins@virginia.edu [Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States)

2014-04-21

We develop an analytical model for the thermal boundary conductance between a solid and a liquid. By infusing recent developments in the phonon theory of liquid thermodynamics with diffuse mismatch theory, we derive a closed form model that can predict the effects of wetting on the thermal boundary conductance across an interface between a solid and a classical liquid. We account for the complete wetting (hydrophilicity), or lack thereof (hydrophobicity), of the liquid to the solid by considering varying contributions of transverse mode interactions between the solid and liquid interfacial layers; this transverse coupling relationship is determined with local density of states calculations from molecular dynamics simulations between Lennard-Jones solids and a liquids with different interfacial interaction energies. We present example calculations for the thermal boundary conductance between both hydrophobic and hydrophilic interfaces of Al/water and Au/water, which show excellent agreement with measured values reported by Ge et al. [Z. Ge, D. G. Cahill, and P. V. Braun, Phys. Rev. Lett. 96, 186101 (2006)]. Our model does not require any fitting parameters and is appropriate to model heat flow across any planar interface between a solid and a classical liquid.

A nonadhesive solid-gel electrode for a non-invasive brain–machine interface

Directory of Open Access Journals (Sweden)

Shigeru eToyama

2012-07-01

Full Text Available A non-invasive brain–machine interface (BMI or brain-computer interface (BCI is a technology for helping individuals with disabilities and utilizes neurophysiological signals from the brain to control external machines or computers without requiring surgery. However, when applying EEG methodology, users must place EEG electrodes on the scalp each time, and the development of easy-to-use electrodes for clinical use is required. In this study, we developed a conductive nonadhesive solid-gel electrode for practical non-invasive BMIs. We performed basic material testing, including examining the volume resistivity, viscoelasticity, and moisture-retention properties of the solid gel. Then, we compared the performance of the solid gel, a conventional paste, and an in-house metal pin-based electrode using impedance measurements and P300-BMI testing. The solid gel was observed to be conductive (volume resistivity 13.2 Ωcm and soft (complex modulus 105.4 kPa, and it remained wet for a prolonged period (>10 hours in a dry environment. Impedance measurements revealed that the impedance of the solid-gel-based and conventional paste-based electrodes was superior to that of the pin-based electrode. The EEG measurement suggested that the signals obtained with the solid-gel electrode were comparable to those with the conventional paste-based electrode. Moreover, the P300-BMI study suggested that systems using the solid-gel or pin-based electrodes were effective. One of the advantages of the solid gel is that it does not require cleaning after use, whereas the conventional paste adheres to the hair, which requires washing. Furthermore, the solid-gel electrode was not painful compared with a metal-pin electrode. Taken together, the results suggest that the solid-gel electrode worked well for practical BMIs and could be useful for bedridden patients such as those with amyotrophic lateral sclerosis.

Acoustic sensors for the control of liquid-solid interface evolution and chemical reactivity

International Nuclear Information System (INIS)

Ferrandis, J.Y.; Tingry, S.; Attal, J.; Seta, P.

2006-01-01

Less classical than far-field acoustic investigations of solid materials and/or solid-liquid interfaces, near-field acoustic properties of an acoustic solid wave guide (tip), thin enough at its termination to present an external diameter smaller than the excitation acoustic wave wavelength, is shown to be able to probe interface properties. As a result of that, these near-field acoustic probes can play the role of chemical sensors, if chemical modifications or chemical reactions are concerned at their surface. In that context, a chemical sensor was realized by electrochemical deposition of an electron-conducting polymer (polypyrrole-biotin) on a metal tip, followed by enzyme attachment by molecular recognition process involving the biotin-avidin-specific interaction. Results from near-field acoustic showed that the enzyme modification of the polymer layer can be detected by this new acoustic sensor

Using Flory-Huggins phase diagrams as a pre-formulation tool for the production of amorphous solid dispersions: a comparison between hot-melt extrusion and spray drying.

Science.gov (United States)

Tian, Yiwei; Caron, Vincent; Jones, David S; Healy, Anne-Marie; Andrews, Gavin P

2014-02-01

Amorphous drug forms provide a useful method of enhancing the dissolution performance of poorly water-soluble drugs; however, they are inherently unstable. In this article, we have used Flory-Huggins theory to predict drug solubility and miscibility in polymer candidates, and used this information to compare spray drying and melt extrusion as processes to manufacture solid dispersions. Solid dispersions were prepared using two different techniques (hot-melt extrusion and spray drying), and characterised using a combination of thermal (thermogravimetric analysis and differential scanning calorimetry), spectroscopic (Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction methods. Spray drying permitted generation of amorphous solid dispersions across a wider drug concentration than melt extrusion. Melt extrusion provided sufficient energy for more intimate mixing to be achieved between drug and polymer, which may improve physical stability. It was also confirmed that stronger drug-polymer interactions might be generated through melt extrusion. Remixing and dissolution of recrystallised felodipine into the polymeric matrices did occur during the modulated differential scanning calorimetry analysis, but the complementary information provided from FTIR confirms that all freshly prepared spray-dried samples were amorphous with the existence of amorphous drug domains within high drug-loaded samples. Using temperature-composition phase diagrams to probe the relevance of temperature and drug composition in specific polymer candidates facilitates polymer screening for the purpose of formulating solid dispersions. © 2013 Royal Pharmaceutical Society.

The structure of the solid-liquid interface: atomic size effect

International Nuclear Information System (INIS)

Geysermans, P.; Pontikis, V.

2002-01-01

The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size (σ) and energy (ε) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites (χ=σ 1 /σ 2 ) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the χ value. (authors)

Non-Faradaic Li ⁺ Migration and Chemical Coordination across Solid-State Battery Interfaces

Energy Technology Data Exchange (ETDEWEB)

Gittleson, Forrest S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); El Gabaly, Farid [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2017-10-17

Efficient and reversible charge transfer is essential to realizing high-performance solid-state batteries. Efforts to enhance charge transfer at critical electrode–electrolyte interfaces have proven successful, yet interfacial chemistry and its impact on cell function remains poorly understood. Using X-ray photoelectron spectroscopy combined with electrochemical techniques, we elucidate chemical coordination near the LiCoO₂–LIPON interface, providing experimental validation of space-charge separation. Space-charge layers, defined by local enrichment and depletion of charges, have previously been theorized and modeled, but the unique chemistry of solid-state battery interfaces is now revealed. Here we highlight the non-Faradaic migration of Li+ ions from the electrode to the electrolyte, which reduces reversible cathodic capacity by ~15%. Inserting a thin, ion-conducting LiNbO₃ interlayer between the electrode and electrolyte, however, can reduce space-charge separation, mitigate the loss of Li+ from LiCoO₂, and return cathodic capacity to its theoretical value. This work illustrates the importance of interfacial chemistry in understanding and improving solid-state batteries.

Thermal characterization of indirectly heated axi-symmetric solid cathode electron beam gun for melting application

International Nuclear Information System (INIS)

Prakash, B.; Gupta, S.; Malik, P.; Mishra, K.K.; Jha, M.N.; Kandaswamy, E.; Martin, M.

2015-01-01

Electron beam melting gun with indirectly heated axi-symmetric solid cathode was designed, fabricated and characterized experimentally. The thermal simulation and optical analysis of the electron gun was carried out to estimate the power required to achieve the emission temperature of the solid cathode, to obtain the temperature distribution in the assembly and the beam transportation. On the basis of the thermal simulation and electron optics, the electron gun design was finalised. The electron gun assembly was fabricated and installed in the vacuum chamber for carrying out the experiment to find the actual temperature distribution. Thermocouple and two colour pyrometer were used to measure the temperature at various locations in the electron gun. The attenuation effect of the viewing port glass of the vacuum chamber was compensated in the final reading of the temperature measured by the pyrometer. The temperature of solid cathode obtained by the experiment was found to be 2800K which is the emission temperature of solid cathode. (author)

Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

OpenAIRE

Sanwu Wang; Hongli Dang; Wenhua Xue; Darwin Shields; Xin Liu; Friederike C. Jentoft; Daniel E. Resasco

2013-01-01

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurati...

Correlation of irreversibility and vortex solid melting for Ti nBa 2Ca 2Cu 3O x (n = 1, 2) thin films

Science.gov (United States)

Hyun, O. B.; Suhara, H.; Nabatame, T.; Koike, S.; Hirabayashi, I.

1995-08-01

The transport measurements were performed for the Tl nBa 2Ca 2Cu 3O x (n = 1, 2) thin films in magnetic fields. The resistive state could be approximately described by the thermally activated form, ϱ ˜ exp[- {U(H,T)}/{k BT }] , where U(H,T) ∝ (const. + T)H -α with α ≈ 0.5 ˜ 0.6. This form, however, appreciably deviates from the data for low dissipation and high fields. As for the viscosity of the supercooled liquid, the divergence of U well described the behavior, particularly, of the low dissipation state for all fields, implying the presence of the vortex solid. The log(V) - log(I) characteristics revealed the curvature change, which defines the vortex solid (glass) - liquid melting temperature T m. Both the irreversibility line and the melting line showed approximately the same T dependence, H α ˜ T -1, which is from the thermally activated form. This correlation suggests that the irreversibility line appropriately figures the vortex solid (glass) - liquid melting line.

Microstructure of Semi-Solid 6063 Alloy Fabricated by Radial Forging Combined with Unidirectional Compression Recrystallization and Partial Melting Process

Directory of Open Access Journals (Sweden)

Wang Yongfei

2017-01-01

Full Text Available Radial forging combined with unidirectional compression (RFCUM is introduced in recrystallization and partial melting (RAP to fabricate semi-solid 6063 aluminum alloy, which can be defined as a process of RFCUM-RAP. In this study, the microstructures of semi-solid 6063 alloy prepared by semi-solid isothermal treatment (SSIT and RFCUM-RAP processes are investigated. The results show that, the solid grains of semi-solid alloy prepared by SSIT are large and irregular. However, solid grains of semi-solid billet prepared by RFCUC-RAP are fine and spherical. Additionally, during RFCUC-RAP process, with the increase of isothermal holding time, the shape of solid grain is more and more spherical, but the size of solid grain is gradually increased. To obtain ideal semi-solid microstructure, the optimal isothermal holding temperature and time are 630 °C and 5~10 min, respectively.

Disorder trapping by rapidly moving phase interface in an undercooled liquid

Science.gov (United States)

Galenko, Peter; Danilov, Denis; Nizovtseva, Irina; Reuther, Klemens; Rettenmayr, Markus

2017-08-01

Non-equilibrium phenomena such as the disappearance of solute drag, the origin of solute trapping and evolution of disorder trapping occur during fast transformations with originating metastable phases [D.M. Herlach, P.K. Galenko, D. Holland-Moritz, Metastable solids from undrercooled melts (Elsevier, Amsterdam, 2007)]. In the present work, a theoretical investigation of disorder trapping by a rapidly moving phase interface is presented. Using a model of fast phase transformations, a system of governing equations for the diffusion of atoms, and the evolution of both long-range order parameter and phase field variable is formulated. First numerical solutions are carried out for a congruently melting binary alloy system.

Shallow Melt Apparatus for Semicontinuous Czochralski Crystal Growth

Science.gov (United States)

Wang, T.; Ciszek, T. F.

2006-01-10

In a single crystal pulling apparatus for providing a Czochralski crystal growth process, the improvement of a shallow melt crucible (20) to eliminate the necessity supplying a large quantity of feed stock materials that had to be preloaded in a deep crucible to grow a large ingot, comprising a gas tight container a crucible with a deepened periphery (25) to prevent snapping of a shallow melt and reduce turbulent melt convection; source supply means for adding source material to the semiconductor melt; a double barrier (23) to minimize heat transfer between the deepened periphery (25) and the shallow melt in the growth compartment; offset holes (24) in the double barrier (23) to increase melt travel length between the deepened periphery (25) and the shallow growth compartment; and the interface heater/heat sink (22) to control the interface shape and crystal growth rate.

Co-gasification of municipal solid waste and material recovery in a large-scale gasification and melting system.

Science.gov (United States)

Tanigaki, Nobuhiro; Manako, Kazutaka; Osada, Morihiro

2012-04-01

This study evaluates the effects of co-gasification of municipal solid waste with and without the municipal solid waste bottom ash using two large-scale commercial operation plants. From the viewpoint of operation data, there is no significant difference between municipal solid waste treatment with and without the bottom ash. The carbon conversion ratios are as high as 91.7% and 95.3%, respectively and this leads to significantly low PCDD/DFs yields via complete syngas combustion. The gross power generation efficiencies are 18.9% with the bottom ash and 23.0% without municipal solid waste bottom ash, respectively. The effects of the equivalence ratio are also evaluated. With the equivalence ratio increasing, carbon monoxide concentration is decreased, and carbon dioxide and the syngas temperature (top gas temperature) are increased. The carbon conversion ratio is also increased. These tendencies are seen in both modes. Co-gasification using the gasification and melting system (Direct Melting System) has a possibility to recover materials effectively. More than 90% of chlorine is distributed in fly ash. Low-boiling-point heavy metals, such as lead and zinc, are distributed in fly ash at rates of 95.2% and 92.0%, respectively. Most of high-boiling-point heavy metals, such as iron and copper, are distributed in metal. It is also clarified that slag is stable and contains few harmful heavy metals such as lead. Compared with the conventional waste management framework, 85% of the final landfill amount reduction is achieved by co-gasification of municipal solid waste with bottom ash and incombustible residues. These results indicate that the combined production of slag with co-gasification of municipal solid waste with the bottom ash constitutes an ideal approach to environmental conservation and resource recycling. Copyright © 2011 Elsevier Ltd. All rights reserved.

In-situ temperature field measurements and direct observation of crystal/melt at vertical Bridgman growth of lead chloride under stationary and dynamic arrangement

Czech Academy of Sciences Publication Activity Database

Král, Robert; Nitsch, Karel

2015-01-01

Roč. 427, Oct (2015), 7-15 ISSN 0022-0248 R&D Projects: GA MŠk(CZ) LH14266 Institutional support: RVO:68378271 Keywords : single crystal growth * temperature field measurements * crystal/melt interface * lead chloride * vertical Bridgman method Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.462, year: 2015

Crystal nucleation and dendrite growth of metastable phases in undercooled melts

International Nuclear Information System (INIS)

Herlach, Dieter

2011-01-01

Research highlights: → Homogenous nucleation. → Effects of convection on dendrite growth kinetics. → Description of disorder trapping validated by experiment. - Abstract: An undercooled melt possesses an enhanced free enthalpy that opens up the possibility to crystallize metastable crystalline solids in competition with their stable counterparts. Crystal nucleation selects the crystallographic phase whereas the growth dynamics controls microstructure evolution. We apply containerless processing techniques such as electromagnetic and electrostatic levitation to containerlesss undercool and solidify metallic melts. Owing to the complete avoidance of heterogeneous nucleation on container-walls a large undercooling range becomes accessible with the extra benefit that the freely suspended drop is direct accessible for in situ observation of crystallization far away from equilibrium. Results of investigations of maximum undercoolability on pure zirconium are presented showing the limit of maximum undercoolability set by the onset of homogeneous nucleation. Rapid dendrite growth is measured as a function of undercooling by a high-speed camera and analysed within extended theories of non-equilibrium solidification. In such both supersaturated solid solutions and disordered superlattice structure of intermetallics are formed at high growth velocities. A sharp interface theory of dendrite growth is capable to describe the non-equilibrium solidification phenomena during rapid crystallization of deeply undercooled melts. Eventually, anomalous growth behaviour of Al-rich Al-Ni alloys is presented, which may be caused by forced convection.

Shock induced melting of lead (experimental study)

International Nuclear Information System (INIS)

Mabire, Catherine; Hereil, Pierre L.

2002-01-01

To investigate melting on release of lead, two shock compression measurements have been carried out at 51 GPa. In the first one, a pyrometric measurement has been performed at the Pb/LiF interface. In the second one, the Pb/LiF interface velocity has been recorded using VISAR measurement technique. VISAR and radiance profile are in good agreement and seem to show melting on release of lead

Chiral Induction and amplification in supramolecular systems at the liquid-solid interface

NARCIS (Netherlands)

Xu, Hong; Ghijsens, E.; George, S.J.; Wolffs, M.; Tomovic, Z.; Schenning, A.P.H.J.; Feyter, de S.

2013-01-01

Chiral induction and amplification in surface-confined supramolecular monolayers are investigated at the liquid–solid interface. Scanning tunneling microscopy (STM) proves that achiral molecules can self-assemble into globally chiral patterns through a variety of approaches, including induction by

Supramolecular chemistry at the liquid/solid interface probed by scanning tunnelling microscopy

NARCIS (Netherlands)

Feyter, S. De; Uji-i, H.; Mamdouh, W.; Miura, A.; Zhang, J.; Jonkheijm, P.; Schenning, A.P.H.J.; Meijer, E.W.; Chen, Z.; Wurthner, F.; Schuurmans, N.; Esch, J. van; Feringa, B.L.; Dulcey, A.E.; Percec, V.; Schryver, F.C. De

2006-01-01

The liquid/solid interface provides an ideal environment to investigate self-assembly phenomena, and scanning tunnelling microscopy (STM) is one of the preferred methodologies to probe the structure and the properties of physisorbed monolayers on the nanoscale. Physisorbed monolayers are of

Microstructure and transport current characterization of YBa2Cu3O7-x thick films prepared by modified solid-liquid melt growth and powder melt process routes

International Nuclear Information System (INIS)

Langhorn, J.; McGinn, P.J.

1999-01-01

From the characterization of superconducting YBa 2 Cu 3 O 7-x (YBCO) thick films processed by melt texturing on yttria-stabilized zirconia substrates from YBCO precursors it is clear that the properties are highly dependent on the precursor powder. Increased YBCO grain sizes have been induced in thick films processed from by modified solid-liquid melt growth (SLMG) and powder melt (PMP) processes with respect to those processed from pre-reacted YBCO materials. The SLMG and PMP routes utilize precursors consisting of BaCuO 2 -CuO flux material mixed with Y 2 O 3 and Y 2 BaCuO 5 respectively. Cross-sectional analysis of films textured by these routes shows a decreased Y 2 BaCuO 5 size and an increased homogeneity within the matrix with respect to films processed from YBCO powder. Such microstructural improvements lead to an improvement of both the flux pinning and current-carrying characteristics of the processed YBCO films. (author)

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)

Atomistic Modeling of the Fluid-Solid Interface in Simple Fluids

Science.gov (United States)

Hadjiconstantinou, Nicolas; Wang, Gerald

2017-11-01

Fluids can exhibit pronounced structuring effects near a solid boundary, typically manifested in a layered structure that has been extensively shown to directly affect transport across the interface. We present and discuss several results from molecular-mechanical modeling and molecular-dynamics (MD) simulations aimed at characterizing the structure of the first fluid layer directly adjacent to the solid. We identify a new dimensionless group - termed the Wall number - which characterizes the degree of fluid layering, by comparing the competing effects of wall-fluid interaction and thermal energy. We find that in the layering regime, several key features of the first layer layer - including its distance from the solid, its width, and its areal density - can be described using mean-field-energy arguments, as well as asymptotic analysis of the Nernst-Planck equation. For dense fluids, the areal density and the width of the first layer can be related to the bulk fluid density using a simple scaling relation. MD simulations show that these results are broadly applicable and robust to the presence of a second confining solid boundary, different choices of wall structure and thermalization, strengths of fluid-solid interaction, and wall geometries.

In Situ Monitoring of Chemical Reactions at a Solid-Water Interface by Femtosecond Acoustics.

Science.gov (United States)

Shen, Chih-Chiang; Weng, Meng-Yu; Sheu, Jinn-Kong; Yao, Yi-Ting; Sun, Chi-Kuang

2017-11-02

Chemical reactions at a solid-liquid interface are of fundamental importance. Interfacial chemical reactions occur not only at the very interface but also in the subsurface area, while existing monitoring techniques either provide limited spatial resolution or are applicable only for the outmost atomic layer. Here, with the aid of the time-domain analysis with femtosecond acoustics, we demonstrate a subatomic-level-resolution technique to longitudinally monitor chemical reactions at solid-water interfaces, capable of in situ monitoring even the subsurface area under atmospheric conditions. Our work was proven by monitoring the already-known anode oxidation process occurring during photoelectrochemical water splitting. Furthermore, whenever the oxide layer thickness equals an integer  number of the effective atomic layer thickness, the measured acoustic echo will show higher signal-to-noise ratios with reduced speckle noise, indicating the quantum-like behavior of this coherent-phonon-based technique.

Homogeneous nucleation ahead of the solid-liquid interface during rapid solidification of binary alloys

International Nuclear Information System (INIS)

Smith, P.M.; Elmer, J.W.

1996-01-01

In recent rapid solidification experiments on Al-5%Be alloys, a Liquid Phase Nucleation (LPN) model was developed to explain the formation of periodic arrays of randomly-oriented Be-rich particles in an Al-rich matrix. In the LPN model, Be droplets were assumed to nucleate in the liquid ahead of the solid-liquid interface, but no justification for this was given. Here the authors present a model which considers the geometric constraints (imposed by proximity to the interface) on the number of solute atoms available to form a nucleus. Calculations based on this model predict that nucleation of second-phase particles can be most likely a short distance ahead of the interface in immiscible binary systems such as Al-Be. As part of the nucleation calculations, a semi-empirical method of calculating solid-liquid surface tensions in binary systems was developed, and is presented in the Appendix

Optical fingerprints of solid-liquid interfaces: a joint ATR-IR and first principles investigation

Science.gov (United States)

Yang, L.; Niu, F.; Tecklenburg, S.; Pander, M.; Nayak, S.; Erbe, A.; Wippermann, S.; Gygi, F.; Galli, G.

Despite the importance of understanding the structural and bonding properties of solid-liquid interfaces for a wide range of (photo-)electrochemical applications, there are presently no experimental techniques available to directly probe the microscopic structure of solid-liquid interfaces. To develop robust strategies to interpret experiments and validate theory, we carried out attenuated total internal reflection (ATR-IR) spectroscopy measurements and ab initio molecular dynamics (AIMD) simulations of the vibrational properties of interfaces between liquid water and well-controlled prototypical semiconductor substrates. We show the Ge(100)/H2O interface to feature a reversible potential-dependent surface phase transition between Ge-H and Ge-OH termination. The Si(100)/H2O interface is proposed as a model system for corrosion and oxidation processes. We performed AIMD calculations under finite electric fields, revealing different pathways for initial oxidation. These pathways are predicted to exhibit unique spectral signatures. A significant increase in surface specificity can be achieved utilizing an angle-dependent ATR-IR experiment, which allows to detect such signatures at the interfacial layer and consequently changes in the hydrogen bond network. Funding from DOE-BES Grant No. DE-SS0008939 and the Deutsche Forschungsgemeinschaft (RESOLV, EXC 1069) are gratefully acknowledged.

Sum Frequency Generation Vibrational Spectroscopy of Adsorbed Amino Acids, Peptides and Proteins of Hydrophilic and Hydrophobic Solid-Water Interfaces

Energy Technology Data Exchange (ETDEWEB)

Holinga IV, George Joseph [Univ. of California, Berkeley, CA (United States)

2010-09-01

Sum frequency generation (SFG) vibrational spectroscopy was used to investigate the interfacial properties of several amino acids, peptides, and proteins adsorbed at the hydrophilic polystyrene solid-liquid and the hydrophobic silica solid-liquid interfaces. The influence of experimental geometry on the sensitivity and resolution of the SFG vibrational spectroscopy technique was investigated both theoretically and experimentally. SFG was implemented to investigate the adsorption and organization of eight individual amino acids at model hydrophilic and hydrophobic surfaces under physiological conditions. Biointerface studies were conducted using a combination of SFG and quartz crystal microbalance (QCM) comparing the interfacial structure and concentration of two amino acids and their corresponding homopeptides at two model liquid-solid interfaces as a function of their concentration in aqueous solutions. The influence of temperature, concentration, equilibration time, and electrical bias on the extent of adsorption and interfacial structure of biomolecules were explored at the liquid-solid interface via QCM and SFG. QCM was utilized to quantify the biological activity of heparin functionalized surfaces. A novel optical parametric amplifier was developed and utilized in SFG experiments to investigate the secondary structure of an adsorbed model peptide at the solid-liquid interface.

Dynamics of diffusive bubble growth and pressure recovery in a bubbly rhyolitic melt embedded in an elastic solid

Science.gov (United States)

Chouet, Bernard A.; Dawson, Phillip B.; Nakano, Masaru

2006-01-01

We present a model of gas exsolution and bubble expansion in a melt supersaturated in response to a sudden pressure drop. In our model, the melt contains a suspension of gas bubbles of identical sizes and is encased in a penny-shaped crack embedded in an elastic solid. The suspension is modeled as a three-dimensional lattice of spherical cells with slight overlap, where each elementary cell consists of a gas bubble surrounded by a shell of volatile-rich melt. The melt is then subjected to a step drop in pressure, which induces gas exsolution and bubble expansion, resulting in the compression of the melt and volumetric expansion of the crack. The dynamics of diffusion-driven bubble growth and volumetric crack expansion span 9 decades in time. The model demonstrates that the speed of the crack response depends strongly on volatile diffusivity in the melt and bubble number density and is markedly sensitive to the ratio of crack thickness to crack radius and initial bubble radius but is relatively insensitive to melt viscosity. The net drop in gas concentration in the melt after pressure recovery represents only a small fraction of the initial concentration prior to the drop, suggesting the melt may undergo numerous pressure transients before becoming significantly depleted of gases. The magnitude of pressure and volume recovery in the crack depends sensitively on the size of the input-pressure transient, becoming relatively larger for smaller-size transients in a melt containing bubbles with initial radii less than 10-5 m. Amplification of the input transient may be large enough to disrupt the crack wall and induce brittle failure in the rock matrix surrounding the crack. Our results provide additional basis for the interpretation of volume changes in the magma conduit under Popocatépetl Volcano during Vulcanian degassing bursts in its eruptive activity in April–May 2000.

Energy Saving Melting and Revert Reduction Technology: Innovative Semi-Solid Metal (SSM) Processing

Energy Technology Data Exchange (ETDEWEB)

Diran Apelian

2012-08-15

Semi-solid metal (SSM) processing has emerged as an attractive method for near-net-shape manufacturing due to the distinct advantages it holds over conventional near-net-shape forming technologies. These advantages include lower cycle time, increased die life, reduced porosity, reduced solidification shrinkage, improved mechanical properties, etc. SSM processing techniques can not only produce the complex dimensional details (e.g. thin-walled sections) associated with conventional high-pressure die castings, but also can produce high integrity castings currently attainable only with squeeze and low-pressure permanent mold casting processes. There are two primary semi-solid processing routes, (a) thixocasting and (b) rheocasting. In the thixocasting route, one starts from a non-dendritic solid precursor material that is specially prepared by a primary aluminum manufacturer, using continuous casting methods. Upon reheating this material into the mushy (a.k.a. "two-phase") zone, a thixotropic slurry is formed, which becomes the feed for the casting operation. In the rheocasting route (a.k.a. "slurry-on-demand" or "SoD"), one starts from the liquid state, and the thixotropic slurry is formed directly from the melt via careful thermal management of the system; the slurry is subsequently fed into the die cavity. Of these two routes, rheocasting is favored in that there is no premium added to the billet cost, and the scrap recycling issues are alleviated. The CRP (Trade Marked) is a process where the molten metal flows through a reactor prior to casting. The role of the reactor is to ensure that copious nucleation takes place and that the nuclei are well distributed throughout the system prior to entering the casting cavity. The CRP (Trade Marked) has been successfully applied in hyper-eutectic Al-Si alloys (i.e., 390 alloy) where two liquids of equal or different compositions and temperatures are mixed in the reactor and creating a SSM slurry. The process has been mostly

The melting and solidification of nanowires

International Nuclear Information System (INIS)

Florio, B. J.; Myers, T. G.

2016-01-01

A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

The melting and solidification of nanowires

Science.gov (United States)

Florio, B. J.; Myers, T. G.

2016-06-01

A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

The melting and solidification of nanowires

Energy Technology Data Exchange (ETDEWEB)

Florio, B. J., E-mail: brendan.florio@ul.ie [University of Limerick, Mathematics Applications Consortium for Science and Industry (MACSI), Department of Mathematics and Statistics (Ireland); Myers, T. G., E-mail: tmyers@crm.cat [Centre de Recerca Matemàtica (Spain)

2016-06-15

A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

Probabilistic Prognosis of Non-Planar Fatigue Crack Growth

Science.gov (United States)

Leser, Patrick E.; Newman, John A.; Warner, James E.; Leser, William P.; Hochhalter, Jacob D.; Yuan, Fuh-Gwo

2016-01-01

Quantifying the uncertainty in model parameters for the purpose of damage prognosis can be accomplished utilizing Bayesian inference and damage diagnosis data from sources such as non-destructive evaluation or structural health monitoring. The number of samples required to solve the Bayesian inverse problem through common sampling techniques (e.g., Markov chain Monte Carlo) renders high-fidelity finite element-based damage growth models unusable due to prohibitive computation times. However, these types of models are often the only option when attempting to model complex damage growth in real-world structures. Here, a recently developed high-fidelity crack growth model is used which, when compared to finite element-based modeling, has demonstrated reductions in computation times of three orders of magnitude through the use of surrogate models and machine learning. The model is flexible in that only the expensive computation of the crack driving forces is replaced by the surrogate models, leaving the remaining parameters accessible for uncertainty quantification. A probabilistic prognosis framework incorporating this model is developed and demonstrated for non-planar crack growth in a modified, edge-notched, aluminum tensile specimen. Predictions of remaining useful life are made over time for five updates of the damage diagnosis data, and prognostic metrics are utilized to evaluate the performance of the prognostic framework. Challenges specific to the probabilistic prognosis of non-planar fatigue crack growth are highlighted and discussed in the context of the experimental results.

Characterization of solid-solution interface by potentiometric titration and electrophoretic mobility

International Nuclear Information System (INIS)

Lindecker, C.; Drot, R.; Fourest, B.; Simoni, E.

1999-01-01

The study of nuclear waste storage in deep geological sites involves the understanding of processes which could produce a possible dispersion or retention of radioelements. The dispersion of solid particles in aqueous solution is consequently important to be characterized. In this bi-phased system it is necessary to determine the characteristics of the solid-solution interface. The method used of this study is the techniques of potentiometric titration applied to heterogeneous systems. The material studied were phosphate matrices which were synthesized in the laboratory. The dependence of their surface change upon the nature of the electrolytes was investigated

Effect of T-stress on crack growth along an interface between ductile and elastic solids

DEFF Research Database (Denmark)

Tvergaard, Viggo

2003-01-01

For crack growth along an interface joining an elastic-plastic solid to an elastic substrate the effect of a non-singular stress component in the crack growth direction in the elastic-plastic solid is investigated. Conditions of small scale yielding are assumed, and due to the mismatch of elastic...

Interfacial free energy of the NaCl crystal-melt interface from capillary wave fluctuations.

Science.gov (United States)

Benet, Jorge; MacDowell, Luis G; Sanz, Eduardo

2015-04-07

In this work we study, by means of molecular dynamics simulations, the solid-liquid interface of NaCl under coexistence conditions. By analysing capillary waves, we obtain the stiffness for different orientations of the solid and calculate the interfacial free energy by expanding the dependency of the interfacial free energy with the solid orientation in terms of cubic harmonics. We obtain an average value for the solid-fluid interfacial free energy of 89 ± 6 mN m(-1) that is consistent with previous results based on the measure of nucleation free energy barriers [Valeriani et al., J. Chem. Phys. 122, 194501 (2005)]. We analyse the influence of the simulation setup on interfacial properties and find that facets prepared as an elongated rectangular stripe give the same results as those prepared as squares for all cases but the 111 face. For some crystal orientations, we observe at small wave-vectors a behaviour not consistent with capillary wave theory and show that this behavior does not depend on the simulation setup.

Novel nonplanar triphenylamine-centered oligofluorenes: Synthesis, thermal, photophysical and electrochemical properties

International Nuclear Information System (INIS)

Zhang Yujian; Ouyang Mi; Yu Chunhui; Hu Bin; Lou Qianping; Zhang Cheng

2011-01-01

A series of fluorene derivatives containing a triphenylamine (TPA) derivative core and two oligofluorene peripheries was effectively synthesized. These compounds are fluorescent and emission color ranges from blue to red. The spiro-skeleton molecular structure leads to excellent glass transition temperatures and weak intermolecular interactions. Simultaneously, novel nonplanar triphenylamine-centered oligofluorenes solve the spectral stability problem and hole-injection issue for fluorene-based materials. The photophysical properties of 6 and 7 are investigated in solvents with different polarities, which reveal the existence of the Charge Transfer (CT) excited-state in these molecules. - Highlights: → Novel nonplanar oligofluorenes consisting of triphenylamine (TPA) derivatives as the core and oligofluorenes as the peripheries were facilely prepared via CF 3 SO 3 H-promoted Friedel-Crafts and Suzuki cross-coupling reactions. → These as-prepared compounds effectively solve the spectral stability problem and hole-injection issue for fluorene-based materials. → The ability of hole-injection and emission color could be fine tuned by R substituent at the C4 position of TPA.

A Unique Method to Describe the Bonding Strength in a Bonded Solid–Solid Interface by Contact Acoustic Nonlinearity

International Nuclear Information System (INIS)

Jian-Jun, Chen; De, Zhang; Yi-Wei, Mao; Jian-Chun, Cheng

2009-01-01

We present a unique method to describe the bonding strength at a bonded solid–solid interface in a multilayered composite material by contact acoustic nonlinearity (CAN) parameter. A CAN model on the bonded solid–solid interface is depicted. It can be seen from the model that CAN parameter is very sensitive to the bonding strength at the interface. When an incident focusing acoustic longitudinal wave scans the interface in two dimensions, the transmitted wave can be used to extract CAN parameter. The contour of the bonding strength for a sample is obtained by CAN parameter. The results show that the region with weak bonding strength can be easily distinguished from the contour

Gas Gun Studies of Interface Wear Effects

Science.gov (United States)

Jackson, Tyler; Kennedy, Greg; Thadhani, Naresh

2011-06-01

The characteristics of interface wear were studied by performing gas gun experiments at velocities up to 1 km/s. The approach involved developing coefficients of constitutive strength models for Al 6061 and OFHC-Cu, then using those to design die geometry for interface wear gas gun experiments. Taylor rod-on-anvil impact experiments were performed to obtain coefficients of the Johnson-Cook constitutive strength model by correlating experimentally obtained deformed states of impacted samples with those predicted using ANSYS AUTODYN hydrocode. Simulations were used with validated strength models to design geometry involving acceleration of Al rods through a copper concentric cylindrical angular extrusion die. Experiments were conducted using 7.62 mm and 80 mm diameter gas guns. Differences in the microstructure of the interface layer and microhardness values illustrate that stress-strain conditions produced during acceleration of Al through the hollow concentric copper die, at velocities less than 800 m/s, result in formation of a layer via solid state alloying due to severe plastic deformation, while higher velocities produce an interface layer consisting of melted and re-solidified aluminum.

Growth of binary solid solution single crystals and calculation of melt surface displacement velocity

International Nuclear Information System (INIS)

Agamaliyev, Z.A.; Tahirov, V.I.; Hasanov, Z.Y.; Quliyev, A.F.

2007-01-01

A binary solid solution single crystal growth method has been worked out. Cylinder feeding alloy with complex content distribution and truncated cone crucible are used. Second component distribution coefficient is more than unit. Content distribution along grown crystal is found by solving continuity equation. After reaching dynamic equilibrium state second component concentration in grown crystal is saturated the value of which is less than the average ona in the feeding alloy. Using the method Ge-Si perfect single crystals has been grown. Calculation method of melt surface displacement velocity has been offered as well

Viscosity of Heterogeneous Silicate Melts: A Non-Newtonian Model

Science.gov (United States)

Liu, Zhuangzhuang; Blanpain, Bart; Guo, Muxing

2017-12-01

The recently published viscosity data of heterogeneous silicate melts with well-documented structure and experimental conditions are critically re-analyzed and tabulated. By using these data, a non-Newtonian viscosity model incorporating solid fraction, solid shape, and shear rate is proposed on the basis of the power-law equation. This model allows calculating the viscosity of the heterogeneous silicate melts with solid fraction up to 34 vol pct. The error between the calculated and measured data is evaluated to be 32 pct, which is acceptable considering the large error in viscosity measurement of the completely liquid silicate melt.

Neutron reflectivity as method to study in-situ adsorption of phospholipid layers to solid-liquid interfaces

DEFF Research Database (Denmark)

Gutberlet, Thomas; Klösgen, Beate Maria; Krastev, Rumen

2004-01-01

variation. It was observed that the method was capable of visualizing the adsorption of phospholipid layers to different solid-liquid interfaces and to resolve structural details at Angstroem resolution. The results depended strongly on a sufficiently good signal-to-noise ratio of the specific measurements......The use of neutron reflectivity as a method to study in-situ adsorption of phospholipid layers to solid-liquid interfaces was analyzed. The most important advantage of neutron reflectometry is the possibility to very the refractive index of the specific sample by isotope exchange, called contrast...

Structural templating in a nonplanar phthalocyanine using single crystal copper iodide

OpenAIRE

Rochford, L. A. (Luke A.); Ramadan, Alexandra J.; Keeble, Dean S.; Ryan, Mary P.; Heutz, Sandrine; Jones, T. S. (Tim S.)

2015-01-01

Solution-grown copper iodide crystals are used as substrates for the templated growth of the nonplanar vanadyl phthalocyanine using organic molecular beam deposition. Structural characterization reveals a single molecular orientation produced by the (111) Miller plane of the copper iodide crystals. These fundamental measurements show the importance of morphology and structure in templating interactions for organic electronics applications.

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

On melting of boron phosphide under pressure

OpenAIRE

Solozhenko, Vladimir; Mukhanov, V. A.

2015-01-01

Melting of cubic boron phosphide, BP, has been studied at pressures to 9 GPa using synchrotron X-ray diffraction and electrical resistivity measurements. It has been found that above 2.6 GPa BP melts congruently, and the melting curve exhibits negative slope (–60 ± 7 K/GPa), which is indicative of a higher density of the melt as compared to the solid phase.

Fractionation of families of major, minor, and trace metals across the melt-vapor interface in volcanic exhalations

Science.gov (United States)

Hinkley, T.K.; Le Cloarec, M.-F.; Lambert, G.

1994-01-01

Chemical families of metals fractionate systematically as they pass from a silicate melt across the interface with the vapor phase and on into a cooled volcanic plume. We measured three groups of metals in a small suite of samples collected on filters from the plumes of Kilauea (Hawaii, USA), Etna (Sicily), and Merapi (Java) volcanoes. These were the major, minor, and trace metals of the alkali and alkaline earth families (K, Rb, Cs, Ca, Sr, Ba), a group of ordinarily rare metals (Cd, Cu, In, Pb, Tl) that are related by their chalcophile affinities, and the radon daughter nuclides 210Po, 210Bi, and 210Pb. The measurements show the range and some details of systematic melt-vapor fractionation within and between these groups of metals. In the plumes of all three volcanoes, the alkali metals are much more abundant than the alkaline earth metals. In the Kilauea plume, the alkali metals are at least six times more abundant than the alkaline earth metals, relative to abundances in the melt; at Etna, the factor is at least 300. Fractionations within each family are, commonly, also distinctive; in the Kilauea plume, in addition to the whole alkaline earth family being depleted, the heaviest metals of the family (Sr, Ba) are progressively more depleted than the light metal Ca. In plumes of fumaroles at Merapi, K/Cs ratios were approximately three orders of magnitude smaller than found in other earth materials. This may represent the largest observed enrichment of the "light ion lithophile" (LIL) metals. Changes in metal ratios were seen through the time of eruption in the plumes of Kilauea and Etna. This may reflect degree of degassing of volatiles, with which metals complex, from the magma bodies. At Kilauea, the changes in fractionation were seen over about three years; fractionation within the alkaline earth family increased, and that between the two families decreased, over that time. All of the ordinarily rare chalcophile metals measured are extremely abundant in

Modelling the influence of the gas to melt ratio on the fraction solid of the surface in spray formed billets

DEFF Research Database (Denmark)

Hattel, Jesper Henri; Pryds, Nini

2006-01-01

the atomisation stage taking thermal coupling into consideration and the deposition of the droplets at the surface of the billet taking geometrical aspects such as shading into account. The coupling between these two models is accomplished by ensuring that the total droplet size distribution of the spray......In this paper, the relationship between the Gas to Melt Ratio (GMR) and the solid fraction of an evolving billet surface is investigated numerically. The basis for the analysis is a recently developed integrated procedure for modelling the entire spray forming process. This model includes...... is the summation of “local” droplet size distributions along the r-axis of the spray cone. The criterion for a successful process has been a predefined process window characterised by a desired solid fraction range at a certain distance from the atomizer. Inside this process window, the gas and melt flows have...

Premixing and steam explosion phenomena in the tests with stratified melt-coolant configuration and binary oxidic melt simulant materials

Energy Technology Data Exchange (ETDEWEB)

Kudinov, Pavel, E-mail: pavel@safety.sci.kth.se; Grishchenko, Dmitry, E-mail: dmitry@safety.sci.kth.se; Konovalenko, Alexander, E-mail: kono@kth.se; Karbojian, Aram, E-mail: karbojan@kth.se

2017-04-01

Highlights: • Steam explosion in stratified melt-coolant configuration is studied experimentally. • Different binary oxidic melt simulant materials were used. • Five spontaneous steam explosions were observed. • Instability of melt-coolant interface and formation of premixing layer was observed. • Explosion strength is influenced by melt superheat and water subcooling. - Abstract: Steam explosion phenomena in stratified melt-coolant configuration are considered in this paper. Liquid corium layer covered by water on top can be formed in severe accident scenarios with (i) vessel failure and release of corium melt into a relatively shallow water pool; (ii) with top flooding of corium melt layer. In previous assessments of potential energetics in stratified melt-coolant configuration, it was assumed that melt and coolant are separated by a stable vapor film and there is no premixing prior to the shock wave propagation. This assumption was instrumental for concluding that the amount of energy that can be released in such configuration is not of safety importance. However, several recent experiments carried out in Pouring and Under-water Liquid Melt Spreading (PULiMS) facility with up to 78 kg of binary oxidic corium simulants mixtures have resulted in spontaneous explosions with relatively high conversion ratios (order of one percent). The instability of the melt-coolant interface, melt splashes and formation of premixing layer were observed in the tests. In this work, we present results of experiments carried out more recently in steam explosion in stratified melt-coolant configuration (SES) facility in order to shed some light on the premixing phenomena and assess the influence of the test conditions on the steam explosion energetics.

Film formation of non-planar phthalocyanines on copper(i) iodide

OpenAIRE

Ramadan, A. J.; Fearn, S.; Jones, T. S. (Tim S.); Heutz, S.; Rochford, L. A. (Luke A.)

2016-01-01

Structural templating is frequently used in organic photovoltaic devices to control the properties of the functional layers and therefore improve efficiencies. Modification of the substrate temperatures has also been shown to impact the structure and morphology of phthalocyanine thin films. Here we combine templating by copper iodide and high substrate temperature growth and study its effect on the structure and morphology of two different non-planar phthalocyanines, chloroaluminium (ClAlPc) ...

The Impact of Solid Surface Features on Fluid-Fluid Interface Configuration

Science.gov (United States)

Araujo, J. B.; Brusseau, M. L. L.

2017-12-01

Pore-scale fluid processes in geological media are critical for a broad range of applications such as radioactive waste disposal, carbon sequestration, soil moisture distribution, subsurface pollution, land stability, and oil and gas recovery. The continued improvement of high-resolution image acquisition and processing have provided a means to test the usefulness of theoretical models developed to simulate pore-scale fluid processes, through the direct quantification of interfaces. High-resolution synchrotron X-ray microtomography is used in combination with advanced visualization tools to characterize fluid distributions in natural geologic media. The studies revealed the presence of fluid-fluid interface associated with macroscopic features on the surfaces of the solids such as pits and crevices. These features and respective fluid interfaces, which are not included in current theoretical or computational models, may have a significant impact on accurate simulation and understanding of multi-phase flow, energy, heat and mass transfer processes.

Pulsed melting of silicon (111) and (100) surfaces simulated by molecular dynamics

International Nuclear Information System (INIS)

Abraham, F.F.; Broughton, J.Q.

1986-01-01

The pulsed heating of Si (100) and (111) surfaces has been simulated by molecular dynamics. The (111) crystal-melt interface propagates by layer-by-layer growth whereas the (100) interface grows in a continuous fashion. The equilibrium crystal-melt interface is sharp for the (111) orientation and broad for the (100) orientation. These simulations are the first use of nonpairwise potentials to study interfaces between condensed phases, and the results support models of interfaces which heretofore had to be deduced from indirect experimental information

Rapid Thermal Annealing of Cathode-Garnet Interface toward High-Temperature Solid State Batteries.

Science.gov (United States)

Liu, Boyang; Fu, Kun; Gong, Yunhui; Yang, Chunpeng; Yao, Yonggang; Wang, Yanbin; Wang, Chengwei; Kuang, Yudi; Pastel, Glenn; Xie, Hua; Wachsman, Eric D; Hu, Liangbing

2017-08-09

High-temperature batteries require the battery components to be thermally stable and function properly at high temperatures. Conventional batteries have high-temperature safety issues such as thermal runaway, which are mainly attributed to the properties of liquid organic electrolytes such as low boiling points and high flammability. In this work, we demonstrate a truly all-solid-state high-temperature battery using a thermally stable garnet solid-state electrolyte, a lithium metal anode, and a V 2 O 5 cathode, which can operate well at 100 °C. To address the high interfacial resistance between the solid electrolyte and cathode, a rapid thermal annealing method was developed to melt the cathode and form a continuous contact. The resulting interfacial resistance of the solid electrolyte and V 2 O 5 cathode was significantly decreased from 2.5 × 10 4 to 71 Ω·cm 2 at room temperature and from 170 to 31 Ω·cm 2 at 100 °C. Additionally, the diffusion resistance in the V 2 O 5 cathode significantly decreased as well. The demonstrated high-temperature solid-state full cell has an interfacial resistance of 45 Ω·cm 2 and 97% Coulombic efficiency cycling at 100 °C. This work provides a strategy to develop high-temperature all-solid-state batteries using garnet solid electrolytes and successfully addresses the high contact resistance between the V 2 O 5 cathode and garnet solid electrolyte without compromising battery safety or performance.

Study of inhomogeneous solid adlayers at electrolyte-solid interfaces using differential reflectance spectroscopy. Progress report, July 1, 1977--February 28, 1978

International Nuclear Information System (INIS)

Sari, S.O.

1978-03-01

Differential reflectance spectroscopy has been used to study interactions at liquid-solid and air-solid interfaces. The aim is to examine a number of properties of adsorbed solid and molecular interlayers formed at such boundaries. Differential optical techniques have not previously been used to a large degree to investigate details of interfacial properties. However, in conjunction with x-ray and electron analysis these approaches are important for examining both electronic structure and adsorption-adhesion mechanics of surface coverings even if these are only a few atomic diameters in thickness. Such layers are induced in experiments by electronic circuitry devised to add or subtract controlled amounts of adlayer through reactions at electrolyte-solid interfaces. The purpose is to supply new information of a basic nature concerning interfacial properties. This can be important since crystal phases of some materials exist only in thin surface coverings. Thus, a connection of this work may well be important to new thin-layer technology. Moreover, an important relation seems well established to problems in solar energy. It is known, for example, that interfacial layers modify gas evolution at some electrolyte-oxide boundaries and thus their study is closely relevant to improvement of some new fuel production schemes

Investigation of nonplanar modular coil systems for stellarator fusion reactors

International Nuclear Information System (INIS)

Harmeyer, E.

1988-12-01

Steady-state stellarators constitute an important option for a future fusion reactor. The helical magnetic field required for plasma confinement can be produced by means of a set of modular nonplanar coils. In order to achieve optimum power density of the plasma, the magnetic flux density inside the torus is made as high as possible. State-of-the-art estimates allow values of the magnetic flux density on axis of B 0 = 4-7 T. The present report is concerned with investigations on modular nonplanar stellarator coil systems. Coil systems with poloidal periodicity l=2 and a coil system of the W VII-AS type with superposed l=0, 1, 2, 3 terms are treated. Furthermore, the parameters are simultaneously varied while keeping constant the ratios of certain magnitudes. In the parameter space of the geometric values and coil number the following quantities are evaluated: maximum magnetic flux density in the coil domain, stored magnetic energy of the coil system, magnetic force density distribution or magnetic forces, and mechanical stress distribution in the coils. Numerical methods are applied in the programme systems used for these calculations. The aim of the study is to determine an optimum regime for the above parameters. The numerical results are compared with those of analytical approximation solutions. (orig.)

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

Bifurcation of elastic solids with sliding interfaces

Science.gov (United States)

Bigoni, D.; Bordignon, N.; Piccolroaz, A.; Stupkiewicz, S.

2018-01-01

Lubricated sliding contact between soft solids is an interesting topic in biomechanics and for the design of small-scale engineering devices. As a model of this mechanical set-up, two elastic nonlinear solids are considered jointed through a frictionless and bilateral surface, so that continuity of the normal component of the Cauchy traction holds across the surface, but the tangential component is null. Moreover, the displacement can develop only in a way that the bodies in contact do neither detach, nor overlap. Surprisingly, this finite strain problem has not been correctly formulated until now, so this formulation is the objective of the present paper. The incremental equations are shown to be non-trivial and different from previously (and erroneously) employed conditions. In particular, an exclusion condition for bifurcation is derived to show that previous formulations based on frictionless contact or `spring-type' interfacial conditions are not able to predict bifurcations in tension, while experiments-one of which, ad hoc designed, is reported-show that these bifurcations are a reality and become possible when the correct sliding interface model is used. The presented results introduce a methodology for the determination of bifurcations and instabilities occurring during lubricated sliding between soft bodies in contact.

Reactive transport in a partially molten system with binary solid solution

Science.gov (United States)

Jordan, J.; Hesse, M. A.

2017-12-01

Melt extraction from the Earth's mantle through high-porosity channels is required to explain the composition of the oceanic crust. Feedbacks from reactive melt transport are thought to localize melt into a network of high-porosity channels. Recent studies invoke lithological heterogeneities in the Earth's mantle to seed the localization of partial melts. Therefore, it is necessary to understand the reaction fronts that form as melt flows across the lithological interface of a heterogeneity and the background mantle. Simplified melting models of such systems aide in the interpretation and formulation of larger scale mantle models. Motivated by the aforementioned facts, we present a chromatographic analysis of reactive melt transport across lithological boundaries, using theory for hyperbolic conservation laws. This is an extension of well-known linear trace element chromatography to the coupling of major elements and energy transport. Our analysis allows the prediction of the feedbacks that arise in reactive melt transport due to melting, freezing, dissolution and precipitation for frontal reactions. This study considers the simplified case of a rigid, partially molten porous medium with binary solid solution. As melt traverses a lithological contact-modeled as a Riemann problem-a rich set of features arise, including a reacted zone between an advancing reaction front and partial chemical preservation of the initial contact. Reactive instabilities observed in this study originate at the lithological interface rather than along a chemical gradient as in most studies of mantle dynamics. We present a regime diagram that predicts where reaction fronts become unstable, thereby allowing melt localization into high-porosity channels through reactive instabilities. After constructing the regime diagram, we test the one-dimensional hyperbolic theory against two-dimensional numerical experiments. The one-dimensional hyperbolic theory is sufficient for predicting the

Interaction between Nd-rich phase particles and liquid-solid interface in as-cast Ti-5Al-4Sn-2Zr-1Mo-0.25Si-1Nd titanium alloy

International Nuclear Information System (INIS)

Li, G.P.; Li, D.; Liu, Y.Y.; Hu, Z.Q.

1995-01-01

The composition (wt%) of ingot fir this investigation is 86.75%Ti, 5%Al, 4%Sn, 2%Zr, 1%Mo, 0.25%Si, 1%Nd. The alloy was prepared by vacuum arc melting in the form of buttons of mass 500 kg, which was remelted three times repeatedly to obtain homogeneous composition. The Nd-rich phase particles in the as-cast Ti-55 alloy are about 1.2∼11.07 microm and uniformly distribute in the matrix. The shapes of the particles are mainly ellipsoids together with short needle-like and blocky morphologies. The calculated diameter of the Nd-rich phase particles is ∼ 10 microm, which is within the 1.2∼11.07 microm range of the particle diameter experimentally measured in the as-cast Ti-55 alloy. The practical interface velocity is three orders of magnitude greater than V c, and the Nd-rich phase particles in the as-cast Ti-55 alloy are trapped by the liquid-solid interface

From large N nonplanar anomalous dimensions to open spring theory

Energy Technology Data Exchange (ETDEWEB)

Mello Koch, Robert de, E-mail: robert@neo.phys.wits.ac.za [National Institute for Theoretical Physics, Department of Physics and Centre for Theoretical Physics University of Witwatersrand, Wits, 2050 (South Africa); Kemp, Garreth, E-mail: Garreth.Kemp@students.wits.ac.za [National Institute for Theoretical Physics, Department of Physics and Centre for Theoretical Physics University of Witwatersrand, Wits, 2050 (South Africa); Smith, Stephanie, E-mail: Stephanie.Smith@students.wits.ac.za [National Institute for Theoretical Physics, Department of Physics and Centre for Theoretical Physics University of Witwatersrand, Wits, 2050 (South Africa)

2012-05-23

In this Letter we compute the nonplanar one-loop anomalous dimension of restricted Schur polynomials that have a bare dimension of O(N). This is achieved by mapping the restricted Schur polynomials into states of a specific U(p) irreducible representation. In this way the dilatation operator is mapped into a u(p) valued operator and, as a result, can easily be diagonalized. The resulting spectrum is reproduced by a model of springs between masses.

Subsonic leaky Rayleigh waves at liquid-solid interfaces.

Science.gov (United States)

Mozhaev, V G; Weihnacht, M

2002-05-01

The paper is devoted to the study of leaky Rayleigh waves at liquid-solid interfaces close to the border of the existence domain of these modes. The real and complex roots of the secular equation are computed for interface waves at the boundary between water and a binary isotropic alloy of gold and silver with continuously variable composition. The change of composition of the alloy allows one to cross a critical velocity for the existence of leaky waves. It is shown that, contrary to popular opinion, the critical velocity does not coincide with the phase velocity of bulk waves in liquid. The true threshold velocity is found to be smaller, the correction being of about 1.45%. Attention is also drawn to the fact that using the real part of the complex phase velocity as a velocity of leaky waves gives only approximate value. The most interesting feature of the waves under consideration is the presence of energy leakage in the subsonic range of the phase velocities where, at first glance, any radiation by harmonic waves is not permitted. A simple physical explanation of this radiation with due regard for inhomogeneity of radiated and radiating waves is given. The controversial question of the existence of leaky Rayleigh waves at a water/ice interface is reexamined. It is shown that the solution considered previously as a leaky wave is in fact the solution of the bulk-wave-reflection problem for inhomogeneous waves.

Molecular mechanics and structure of the fluid-solid interface in simple fluids

Science.gov (United States)

Wang, Gerald J.; Hadjiconstantinou, Nicolas G.

2017-09-01

Near a fluid-solid interface, the fluid spatial density profile is highly nonuniform at the molecular scale. This nonuniformity can have profound effects on the dynamical behavior of the fluid and has been shown to play an especially important role when modeling a wide variety of nanoscale heat and momentum transfer phenomena. We use molecular-mechanics arguments and molecular-dynamics (MD) simulations to develop a better understanding of the structure of the first fluid layer directly adjacent to the solid in the layering regime, as delineated by a nondimensional number that compares the effects of wall-fluid interaction to thermal energy. Using asymptotic analysis of the Nernst-Planck equation, we show that features of the fluid density profile close to the wall, such as the areal density of the first layer ΣFL (defined as the number of atoms in this layer per unit of fluid-solid interfacial area), can be expressed as polynomial functions of the fluid average density ρave. This is found to be in agreement with MD simulations, which also show that the width of the first layer hFL is a linear function of the average density and only a weak function of the temperature T . These results can be combined to show that, for system average densities corresponding to a dense fluid (ρave≥0.7 ), the ratio C ≡ΣFLρavehFL, representing a density enhancement with respect to the bulk fluid, depends only weakly on temperature and is essentially independent of density. Further MD simulations suggest that the above results, nominally valid for large systems (solid in contact with semi-infinite fluid), also describe fluid-solid interfaces under considerable nanoconfinement, provided ρave is appropriately defined.

Dynamics at Solid State Surfaces and Interfaces, Volume 1 Current Developments

CERN Document Server

Bovensiepen, Uwe; Wolf, Martin

2010-01-01

This two-volume work covers ultrafast structural and electronic dynamics of elementary processes at solid surfaces and interfaces, presenting the current status of photoinduced processes. Providing valuable introductory information for newcomers to this booming field of research, it investigates concepts and experiments, femtosecond and attosecond time-resolved methods, as well as frequency domain techniques. The whole is rounded off by a look at future developments.

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.

Features of melting of indium monohalides

Energy Technology Data Exchange (ETDEWEB)

Dmitriev, V S; Smirniv, V A [AN SSSR, Chernogolovka. Inst. Fiziki Tverdogo Tela

1980-12-01

The character of InCl, InBr and InI melting is investigated by the methods of DTA, calorimetry, conductometry and chemical analysis. Partial decomposition of monohalogenides during melting according to the reactions of disproportionation is shown. The presence of disproportionation products (In/sup 0/ and In/sup 3 +/) is manifested in the properties of solid monohalogenides, prepared by the crystallization from melt, in their photosensitivity and electroconductivity.

Theoretical Melt Curves of Al, Cu, Ta and Pb

International Nuclear Information System (INIS)

Mehta, S.

2006-01-01

Melt curves of a number of metals are computed using simple models of the solid and liquid phases in conjunction with a minimal amount of experimental data. Ionic motion is modelled using a mean field approximation and a modified CRIS model in the solid and liquid phases respectively. By correcting the liquid Helmholtz free energy to reproduce experimental measurements of various melting quantities at atmospheric pressure, it is found that the melt curve remains in reasonable agreement with experiment and more advanced calculations to high pressure

Extraction of scandium by organic substance melts

International Nuclear Information System (INIS)

Gladyshev, V.P.; Lobanov, F.I.; Zebreva, A.I.; Andreeva, N.N.; Manuilova, O.A.; Il'yukevich, Yu.A.

1984-01-01

Regularities of scandium extraction by the melts of octadecanicoic acid, n-carbonic acids of C 17 -C 20 commerical fraction and mixtures of tributylphosphate (TBP) with paraffin at (70+-1) deg C have been studied. The optimum conditions for scandium extraction in the melt of organic substances are determined. A scheme of the extraction by the melts of higher carbonic acids at ninitial metal concentrations of 10 -5 to 10 -3 mol/l has been suggested. The scandium compound has been isolated in solid form, its composition having been determined. The main advantages of extraction by melts are as follows: a possibility to attain high distribution coefficients, distinct separation of phases after extraction, the absence of emulsions, elimination of employing inflammable and toxic solvents, a possibility of rapid X-ray fluorescence determinatinon of scandium directly in solid extract

Interface analysis of A1 matrix composites produced by hot isostatic pressing, squeeze casting and semi-solid processing

International Nuclear Information System (INIS)

Shamsul, J.B.; Zainal Arifin Ahmad; Faaizulaswad, M.S.; Azmi, R.

2000-01-01

The interface analysis has been carried out an aluminium based composites system produced by hot isostatic pressing, squeeze casting and semi-solid processing. A range of different fabrication techniques has been used to produce different types of microstructure of Al 2124 (Al-Cu-Mg) reinforced with 5 weight % SiC particles. Blending followed by hot isostatic pressing is used to fabricate composite I. Composite II was 6061 (Al-Si-Mg) wrought aluminium alloy reinforced with fibres of alumina-silica (V f = 0.58) and fabricated by squeeze casting. Finally, A356 (AlSi7Mg0.3) alloy was reinforced with 20 Vol.% of SiC particles (13 μm) and namely as composite III. Composite III is fabricated by semi-solid processing. Interface analysis was done by optical microscopy, scanning and transmission electron microscopy. Composite I exhibited good interface bonding and dislocation was also observed near the interface. Elements such as Al, Fe, Cr, Mn were found near the interface of composite II and intermetallic of iron rich inclusion and Mg 2 Si were observed near the interface of composite III. (Author)

Co-gasification of municipal solid waste and material recovery in a large-scale gasification and melting system

International Nuclear Information System (INIS)

Tanigaki, Nobuhiro; Manako, Kazutaka; Osada, Morihiro

2012-01-01

Highlights: ► This study evaluates the effects of co-gasification of MSW with MSW bottom ash. ► No significant difference between MSW treatment with and without MSW bottom ash. ► PCDD/DFs yields are significantly low because of the high carbon conversion ratio. ► Slag quality is significantly stable and slag contains few hazardous heavy metals. ► The final landfill amount is reduced and materials are recovered by DMS process. - Abstract: This study evaluates the effects of co-gasification of municipal solid waste with and without the municipal solid waste bottom ash using two large-scale commercial operation plants. From the viewpoint of operation data, there is no significant difference between municipal solid waste treatment with and without the bottom ash. The carbon conversion ratios are as high as 91.7% and 95.3%, respectively and this leads to significantly low PCDD/DFs yields via complete syngas combustion. The gross power generation efficiencies are 18.9% with the bottom ash and 23.0% without municipal solid waste bottom ash, respectively. The effects of the equivalence ratio are also evaluated. With the equivalence ratio increasing, carbon monoxide concentration is decreased, and carbon dioxide and the syngas temperature (top gas temperature) are increased. The carbon conversion ratio is also increased. These tendencies are seen in both modes. Co-gasification using the gasification and melting system (Direct Melting System) has a possibility to recover materials effectively. More than 90% of chlorine is distributed in fly ash. Low-boiling-point heavy metals, such as lead and zinc, are distributed in fly ash at rates of 95.2% and 92.0%, respectively. Most of high-boiling-point heavy metals, such as iron and copper, are distributed in metal. It is also clarified that slag is stable and contains few harmful heavy metals such as lead. Compared with the conventional waste management framework, 85% of the final landfill amount reduction is achieved by

Scanning tunnelling microscopy of a foldamer prototype at the liquid/solid interface : water/Au(111) versus 1-octanol/graphite

NARCIS (Netherlands)

Klymchenko, Andrey S.; Schuurmans, Norbert; van der Auweraer, Mark; Feringa, Ben L.; van Esch, Jan; De Feyter, Steven

2006-01-01

We report the design and synthesis of a catechol based foldamer containing amide functionalized alkyl chains, and its monolayer formation at the liquid/solid interface. By scanning tunnelling microscopy, both at the 1-octanol/graphite interface as well as at the water/Au( 111) interface, the

Fabrication of All-Solid-State Lithium-Ion Cells Using Three-Dimensionally Structured Solid Electrolyte Li7La3Zr2O12 Pellets

International Nuclear Information System (INIS)

Shoji, Mao; Munakata, Hirokazu; Kanamura, Kiyoshi

2016-01-01

All-solid-state lithium-ion batteries using Li + -ion conducting ceramic electrolytes have been focused on as attractive future batteries for electric vehicles and renewable energy conversion systems because high safety can be realized due to non-flammability of ceramic electrolytes. In addition, a higher volumetric energy density than that of current lithium-ion batteries is expected since the all-solid-state lithium-ion batteries can be made in bipolar cell configurations. However, the special ideas and techniques based on ceramic processing are required to construct the electrochemical interface for all-solid-state lithium-ion batteries since the battery development has been done so far based on liquid electrolyte system over 100 years. As one of the promising approaches to develop practical all-solid-state batteries, we have been focusing on three-dimensionally (3D) structured cell configurations such as an interdigitated combination of 3D pillars of cathode and anode, which can be realized by using solid electrolyte membranes with hole-array structures. The application of such kinds of 3D structures effectively increases the interface between solid electrode and solid electrolyte per unit volume, lowering the internal resistance of all-solid-state lithium-ion batteries. In this study, Li 6.25 Al 0.25 La 3 Zr 2 O 12 (LLZAl), which is a Al-doped Li 7 La 3 Zr 2 O 12 (LLZ) with Li + -ion conductivity of ~10 –4 S ⋅cm −1 at room temperature and high stability against lithium-metal, was used as a solid electrolyte, and its pellets with 700 μm depth holes in 700 μm × 700 μm area were fabricated to construct 3D-structured all-solid-state batteries with LiCoO 2 /LLZAl/lithium-metal configuration. It is expected that the LiCoO 2 –LLZAl interface is formed by point-to-point contact even when the LLZAl pellet with 3D hole-array structure is applied. Therefore, Li 3 BO 3 , which is a mechanically soft solid electrolyte with a low melting point at around 700�

Mechanisms of heterogeneous crystal growth in atomic systems: insights from computer simulations.

Science.gov (United States)

Gulam Razul, M S; Hendry, J G; Kusalik, P G

2005-11-22

In this paper we analyze the atomic-level structure of solid/liquid interfaces of Lennard-Jones fcc systems. The 001, 011, and 111 faces are examined during steady-state growth and melting of these crystals. The mechanisms of crystallization and melting are explored using averaged configurations generated during these steady-state runs, where subsequent tagging and labeling of particles at the interface provide many insights into the detailed atomic behavior at the freezing and melting interfaces. The interfaces are generally found to be rough and we observe the structure of freezing and melting interfaces to be very similar. Large structural fluctuations with solidlike and liquidlike characteristics are apparent in both the freezing and melting interfaces. The behavior at the interface observed under either growth or melting conditions reflects a competition between ordering and disordering processes. In addition, we observe atom hopping that imparts liquidlike characteristics to the solid side of the interfaces for all three crystal faces. Solid order is observed to extend as rough, three-dimensional protuberances through the interface, particularly for the 001 and 011 faces. We are also able to reconcile our different measures for the interfacial width and address the onset of asymmetry in the growth rates at high rates of crystal growth/melting.

Effects of convection and density difference on contact melting around a cylinder

International Nuclear Information System (INIS)

Zhao Yuansong; Chen Wenzhen; Sun Fengrui

2010-01-01

Contact melting around a horizontal cylindrical heat source is investigated theoretically. Considering the convection and solid-liquid density difference, the expression of melting velocity is obtained by solving the dominant equations of the molten layer. The effects of convection and density difference on the contact melting are analyzed and discussed. It is found that convection hinders the heat transfer from the heat source to solid phase change material (PCM) across the molten layer, and smaller melting velocity will be obtained while considering solid-liquid density difference. The comparison of the result in this paper with those of previous study shows the validity of the analytical mode established.

Ambient mass spectrometry: From the planar to the non-planar surface analysis

Czech Academy of Sciences Publication Activity Database

Rejšek, Jan; Vrkoslav, Vladimír; Cvačka, Josef

2017-01-01

Roč. 15, č. 1 (2017), s. 31 ISSN 2336-7202. [Mezioborové setkání mladých biologů, biochemiků a chemiků /17./. 30.05.2017-01.06.2017, Milovy] Institutional support: RVO:61388963 Keywords : ambient mass spectrometry * thin layer chromatography * non-planar surface analysis Subject RIV: CB - Analytical Chemistry, Separation

Non-planar Feynman diagrams and Mellin-Barnes representations with AMBRE 3.0

International Nuclear Information System (INIS)

Dubovyk, Ievgen; Gluza, Janusz; Riemann, Tord

2016-04-01

We introduce the Mellin-Barnes representation of general Feynman integrals and discuss their evaluation. The Mathematica package AMBRE has been recently extended in order to cover consistently non-planar Feynman integrals with two loops. Prospects for the near future are outlined. This write-up is an introduction to new results which have also been presented elsewhere.

A new variable temperature solution-solid interface scanning tunneling microscope.

Science.gov (United States)

Jahanbekam, Abdolreza; Mazur, Ursula; Hipps, K W

2014-10-01

We present a new solution-solid (SS) interface scanning tunneling microscope design that enables imaging at high temperatures with low thermal drift and with volatile solvents. In this new design, distinct from the conventional designs, the entire microscope is surrounded in a controlled-temperature and controlled-atmosphere chamber. This allows users to take measurements at high temperatures while minimizing thermal drift. By incorporating an open solution reservoir in the chamber, solvent evaporation from the sample is minimized; allowing users to use volatile solvents for temperature dependent studies at high temperatures. The new design enables the user to image at the SS interface with some volatile solvents for long periods of time (>24 h). An increase in the nonlinearity of the piezoelectric scanner in the lateral direction as a function of temperature is addressed. A temperature dependent study of cobalt(II) octaethylporphyrin (CoOEP) at the toluene/Au(111) interface has been performed with this instrument. It is demonstrated that the lattice parameters remain constant within experimental error from 24 °C to 75 °C. Similar quality images were obtained over the entire temperature range. We report the unit cell of CoOEP at the toluene/Au(111) interface (based on two molecules per unit cell) to be A = (1.36 ± 0.04) nm, B = (2.51 ± 0.04) nm, and α = 97° ± 2°.

Mathematical modelling of ultrasonic testing of components with defects close to a non-planar surface

International Nuclear Information System (INIS)

Westlund, Jonathan; Bostroem, Anders

2011-05-01

Nondestructive testing with ultrasound is a standard procedure in the nuclear power industry. To develop and qualify the methods extensive experimental work with test blocks is usually required. This can be very time-consuming and costly and it also requires a good physical intuition of the situation. A reliable mathematical model of the testing situation can, therefore, be very valuable and cost-effective as it can reduce experimental work significantly. A good mathematical model enhances the physical intuition and is very useful for parametric studies, as a pedagogical tool, and for the qualification of procedures and personnel. The aim of the present report is to describe work that has been performed to model ultrasonic testing of components that contain a defect close to a nonplanar surface. For nuclear power applications this may be a crack or other defect on the inside of a pipe with a diameter change or connection. This is an extension of the computer program UTDefect, which previously only admits a planar back surface (which is often applicable also to pipes if the pipe diameter is large enough). The problems are investigated in both 2D and 3D, and in 2D both the simpler anti-plane (SH) and the in-plane (P-SV) problem are studied. The 2D investigations are primarily solved to get a 'feeling' for the solution procedure, the discretizations, etc. In all cases an integral equation approach with a Green's function in the kernel is taken. The nonplanar surface is treated by the boundary element method (BEM) where a division of the surface is made in small elements. The defects are mainly cracks, strip-like (in 2D) or rectangular (in 3D), and these are treated with more analytical methods. In 2D also more general defects are treated with the help of their transition (T) matrix. As in other parts of UTDefect the ultrasonic probes in transmission and reception are included in the model. In 3D normalization by a side drilled hole is possible. Some numerical results

Ab initio study on the dynamics of furfural at the liquid-solid interfaces

Science.gov (United States)

Dang, Hongli; Xue, Wenhua; Shields, Darwin; Liu, Yingdi; Jentoft, Friederike; Resasco, Daniel; Wang, Sanwu

2013-03-01

Catalytic biomass conversion sometimes occurs at the liquid-solid interfaces. We report ab initio molecular dynamics simulations at finite temperatures for the catalytic reactions involving furfural at the water-Pd and water-Cu interfaces. We found that, during the dynamic process, the furan ring of furfural prefers to be parallel to the Pd surface and the aldehyde group tends to be away from the Pd surface. On the other hand, at the water-Cu(111) interface, furfural prefers to be tilted to the Cu surface while the aldehyde group is bonded to the surface. In both cases, interaction of liquid water and furfural is identified. The difference of dynamic process of furfural at the two interfaces suggests different catalytic reaction mechanisms for the conversion of furfural, consistent with the experimental investigations. Supported by DOE (DE-SC0004600). Simulations and calculations were performed on XSED's and NERSC's supercomputers

STM in liquids. A scanning tunneling microscopy exploration of the liquid-solid interface.

NARCIS (Netherlands)

Hulsken, B.

2008-01-01

This thesis reports of a series of atomic scale studies of the liquid-solid interface, carried out with a home-built liquid-cell Scanning Tunnelling Microscope (STM). The home-built liquid-cell STM is described in detail, and numerical simulations are performed to show that surfaces immersed in the

Propagation of plane waves at the interface of an elastic solid half-space and a microstretch thermoelastic diffusion solid half-space

Directory of Open Access Journals (Sweden)

Rajneesh Kumar

Full Text Available The problem of reflection and refraction phenomenon due to plane waves incident obliquely at a plane interface between uniform elastic solid half-space and microstretch thermoelastic diffusion solid half-space has been studied. It is found that the amplitude ratios of various reflected and refracted waves are functions of angle of incidence, frequency of incident wave and are influenced by the microstretch thermoelastic diffusion properties of the media. The expressions of amplitude ratios and energy ratios are obtained in closed form. The energy ratios have been computed numerically for a particular model. The variations of energy ratios with angle of incidence are shown for thermoelastic diffusion media in the context of Lord-Shulman (L-S (1967 and Green-Lindsay (G-L (1972 theories. The conservation of energy at the interface is verified. Some particular cases are also deduced from the present investigation.

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)

Non-planar corrections to the Pomeron and reggeons in the dual unitarity scheme

International Nuclear Information System (INIS)

Uschersohn, J.

1976-03-01

A special class of non-planar diagrams is studied, those in which the produced clusters are crossed. Insertion of these diagrams in the reggeon propagators accounts for exchange degeneracy breaking. The even signature reggeons get their intercept promoted to a larger value, while the odd signature ones are left unchanged. (author)

Zircon (Hf, O isotopes) as melt indicator: Melt infiltration and abundant new zircon growth within melt rich layers of granulite-facies lenses versus solid-state recrystallization in hosting amphibolite-facies gneisses (central Erzgebirge, Bohemian Massif)

Science.gov (United States)

Tichomirowa, Marion; Whitehouse, Martin; Gerdes, Axel; Schulz, Bernhard

2018-03-01

partial Hf isotope homogenization in the melt, and melt infiltration from an external source. New zircon was most likely formed by a peritectic reaction with melt above the wet solidus (peritectic zircon). Conversely, the amphibolite-facies host gneisses lack indications of significant melt production. Pre-metamorphic zircons experienced mainly solid-state recrystallization and variable Pb loss with only minor new zircon formation. However, subtle changes in cathodoluminescence pattern, in the Hf and O isotopes, and in the Lu/Hf, Yb/Hf ratios of zircons suggest that small volumes of melt were locally present. In difference to granulites, melt was internally produced. The detection of low degree melts (inferred from zircon geochemistry) is extremely important for the rheology because these amphibolite-facies rocks could act as large scale ductile shear zones. The new zircon data support a different P-T path for closely spaced amphibolite- and granulite-facies rocks.

Mechanism to synthesize a ‘moving optical mark’ at solid-ambient interface for the estimation of thermal diffusivity of solid

Directory of Open Access Journals (Sweden)

Settu Balachandar

2016-01-01

Full Text Available A novel mechanism is proposed, involving a novel interaction between solid-sample supporting unsteady heat flow with its ambient-humidity; invokes phase transformation of water-vapour molecule and synthesize a ‘moving optical-mark’ at sample-ambient-interface. Under tailored condition, optical-mark exhibits a characteristic macro-scale translatory motion governed by thermal diffusivity of solid. For various step-temperature inputs via cooling, position-dependent velocities of moving optical-mark are measured at a fixed distance. A new approach is proposed. ‘Product of velocity of optical-mark and distance’ versus ‘non-dimensional velocity’ is plotted. The slope reveals thermal diffusivity of solid at ambient-temperature; preliminary results obtained for Quartz-glass is closely matching with literature.

Characterization of the liquid Li-solid Mo (1 1 0) interface from classical molecular dynamics for plasma-facing applications

Science.gov (United States)

Vella, Joseph R.; Chen, Mohan; Fürstenberg, Sven; Stillinger, Frank H.; Carter, Emily A.; Debenedetti, Pablo G.; Panagiotopoulos, Athanassios Z.

2017-11-01

An understanding of the wetting properties and a characterization of the interface between liquid lithium (Li) and solid molybdenum (Mo) are relevant to assessing the efficacy of Li as a plasma-facing component in fusion reactors. In this work, a new second-nearest neighbor modified embedded-atom method (2NN MEAM) force field is parameterized to describe the interactions between Li and Mo. The new force field reproduces several benchmark properties obtained from first-principles quantum mechanics simulations, including binding curves for Li at three different adsorption sites and the corresponding forces on Li atoms adsorbed on the Mo (1 1 0) surface. This force field is then used to study the wetting of liquid Li on the (1 1 0) surface of Mo and to examine the Li-Mo interface using molecular dynamics simulations. From droplet simulations, we find that liquid Li tends to completely wet the perfect Mo (1 1 0) surface, in contradiction with previous experimental measurements that found non-zero contact angles for liquid Li on a Mo substrate. However, these experiments were not carried out under ultra-high vacuum conditions or with a perfect (1 1 0) Mo surface, suggesting that the presence of impurities, such as oxygen, and surface structure play a crucial role in this wetting process. From thin-film simulations, it is observed that the first layer of Li on the Mo (1 1 0) surface has many solid-like properties such as a low mobility and a larger degree of ordering when compared to layers further away from the surface, even at temperatures well above the bulk melting temperature of Li. These findings are consistent with temperature-programmed desorption experiments.

The shape of the melting curve and phase transitions in the liquid state

International Nuclear Information System (INIS)

Yahel, Eyal

2014-01-01

The phase diagram of elemental liquids has been found to be surprisingly rich, including variations in the melting curve and transitions in the liquid phase. The effect of these transitions on the shape of the melting curve is reviewed and analyzed. First-order phase transitions intersecting the melting curve imply piecewise continuous melting curves, with solid-solid transitions generating upward kinks or minima and liquid-liquid transitions generating downward kinks or maxima

Separation of lanthanum from samarium on solid aluminum electrode in LiCl-KCl eutectic melts

International Nuclear Information System (INIS)

De-Bin Ji; Mi-Lin Zhang; Xing Li; Xiao-Yan Jing; Wei Han; Yong-De Yan; Yun Xue; Zhi-Jian Zhang; Harbin Engineering University, Harbin

2015-01-01

This paper presents an electrochemical study on the separation of lanthanum from samarium on aluminum electrode at 773 K. The results from different electrochemical methods showed that Sm(III) and La(III) formed Al-Sm and Al-La intermetallic compounds on an aluminum electrode at electrode potential around -1.67 and -1.46 V, respectively. The electrochemical separation of lanthanum was carried out in LiCl-KCl-LaCl 3 -SmCl 3 melts on solid aluminum electrodes at 773 K by potentiostatic electrolysis at -1.45 V for 40 h and the separation efficiency was 99.1 %. (author)

Numerical analysis of melting/solidification phenomena using a moving boundary problem analysis method X-FEM

International Nuclear Information System (INIS)

Uchibori, Akihiro; Ohshima, Hiroyuki

2008-01-01

A numerical analysis method for melting/solidification phenomena has been developed to evaluate a feasibility of several candidate techniques in the nuclear fuel cycle. Our method is based on the eXtended Finite Element Method (X-FEM) which has been used for moving boundary problems. Key technique of the X-FEM is to incorporate signed distance function into finite element interpolation to represent a discontinuous gradient of the temperature at a moving solid-liquid interface. Construction of the finite element equation, the technique of quadrature and the method to solve the equation are reported here. The numerical solutions of the one-dimensional Stefan problem, solidification in a two-dimensional square corner and melting of pure gallium are compared to the exact solutions or to the experimental data. Through these analyses, validity of the newly developed numerical analysis method has been demonstrated. (author)

Planar and nonplanar ion acoustic shock waves in relativistic degenerate astrophysical electron-positron-ion plasmas

Energy Technology Data Exchange (ETDEWEB)

Ata-ur-Rahman,; Qamar, A. [Institute of Physics and Electronics, University of Peshawar, Peshawar 25000 (Pakistan); National Centre for Physics, QAU Campus, Shahdrah Valley Road, Islamabad 44000 (Pakistan); Ali, S. [National Centre for Physics, QAU Campus, Shahdrah Valley Road, Islamabad 44000 (Pakistan); Mirza, Arshad M. [Theoretical Plasma Physics Group, Physics Department, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

2013-04-15

We have studied the propagation of ion acoustic shock waves involving planar and non-planar geometries in an unmagnetized plasma, whose constituents are non-degenerate ultra-cold ions, relativistically degenerate electrons, and positrons. By using the reductive perturbation technique, Korteweg-deVries Burger and modified Korteweg-deVries Burger equations are derived. It is shown that only compressive shock waves can propagate in such a plasma system. The effects of geometry, the ion kinematic viscosity, and the positron concentration are examined on the ion acoustic shock potential and electric field profiles. It is found that the properties of ion acoustic shock waves in a non-planar geometry significantly differ from those in planar geometry. The present study has relevance to the dense plasmas, produced in laboratory (e.g., super-intense laser-dense matter experiments) and in dense astrophysical objects.

The non-planar single-frequency ring laser with variable output coupling

Science.gov (United States)

Wu, Ke-ying; Yang, Su-hui; Wei, Guang-hui

2002-03-01

We put forward a novel non-planar single-frequency ring laser, which consists of a corner cube prism and a specially cut Porro prism made by Nd:YAG crystal. The relative angle between the corner cube and the Porro prism could be adjusted to control the output coupling of the laser resonator and the polarization-state of the output laser. A 1.06 μm single-frequency laser with 1 W output has been obtained.

Application of film-casting technique to investigate drug-polymer miscibility in solid dispersion and hot-melt extrudate.

Science.gov (United States)

Parikh, Tapan; Gupta, Simerdeep Singh; Meena, Anuprabha K; Vitez, Imre; Mahajan, Nidhi; Serajuddin, Abu T M

2015-07-01

Determination of drug-polymer miscibility is critical for successful development of solid dispersions. This report details a practical method to predict miscibility and physical stability of drug with various polymers in solid dispersion and, especially, in melt extrudates by applying a film-casting technique. Mixtures of itraconazole (ITZ) with hydroxypropylmethylcellulose phthalate (HPMCP), Kollidon(®) VA 64, Eudragit(®) E PO, and Soluplus(®) were film-casted, exposed to 40°C/75% RH for 1 month and then analyzed using differential scanning calorimetry (DSC), powder X-ray diffractometry, and polarized light microscopy (PLM). ITZ had the highest miscibility with HPMCP, being miscible at drug to polymer ratio of 6:4 (w/w). There was a downward trend of lower miscibility with Soluplus(®) (miscible at 3:7, w/w, and a few microcrystals present at 4:6, w/w), Kollidon(®) VA 64 (2:8, w/w) and Eudragit(®) E PO (casting and hot-melt extrusion (HME) using a twin screw extruder. For ITZ-Soluplus(®) mixtures, HME at 4:6 (w/w) resulted in a single phase, whereas drug crystallization was observed at higher drug load. HME of ITZ-Kollidon(®) VA 64 mixtures also correlated well with the miscibility predicted by film casting. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Thermodynamic pathways to melting, ablation, and solidification in absorbing solids under pulsed laser irradiation

International Nuclear Information System (INIS)

Lorazo, Patrick; Lewis, Laurent J.; Meunier, Michel

2006-01-01

The thermodynamic pathways involved in laser irradiation of absorbing solids are investigated in silicon for pulse durations of 500 fs and 100 ps. This is achieved by accounting for carrier and atom dynamics within a combined Monte Carlo and molecular-dynamics scheme and simultaneously tracking the time evolution of the irradiated material in ρ-T-P space. Our simulations reveal thermal changes in long-range order and state of aggregation driven, in most cases, by nonequilibrium states of rapidly heated or promptly cooled matter. Under femtosecond irradiation near the ablation threshold, the system is originally pulled to a near-critical state following rapid ( -12 s) disordering of the mechanically unstable crystal and isochoric heating of the resulting metallic liquid. The latter is then adiabatically cooled to the liquid-vapor regime where phase explosion of the subcritical, superheated melt is initiated by a direct conversion of translational, mechanical energy into surface energy on a ∼10 -12 -10 -11 s time scale. At higher fluences, matter removal involves, instead, the fragmentation of an initially homogeneous fluid subjected to large strain rates upon rapid, supercritical expansion in vacuum. Under picosecond irradiation, homogeneous and, at later times, heterogeneous melting of the superheated solid are followed by nonisochoric heating of the molten metal. In this case, the subcritical liquid material is subsequently cooled onto the binodal by thermal conduction and explosive boiling does not take place; as a result, ablation is associated with a ''trivial'' fragmentation process, i.e., the relatively slow expansion and dissociation into liquid droplets of supercritical matter near thermodynamic equilibrium. This implies a liquid-vapor equilibration time of ∼10 -11 -10 -10 s and heating along the binodal under nanosecond irradiation. Solidification of the nonablated, supercooled molten material is eventually observed on a ∼10 -11 -10 -9 s time scale

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.)

Nonlinear thermal interaction between a heat-generating particulate bed and a solid

International Nuclear Information System (INIS)

Cheung, F.B.; Stein, R.P.; Epstein, M.; Gabor, J.D.; Bingle, J.D.

1980-01-01

The process of combined conduction and radiation in a large, heat-generating, dry particulate bed in sudden contact with a semi-infinite solid is studied analytically by a successive approximation method and numerically by a finite difference method. The transient behavior of the system, in particular, the behavior of the temperature at the particulate bed-solid interface, is obtained as a function of two dimensionless controlling parameters. Also obtained are the conditions leading to incipient melting of the system. Based upon the finite difference solution, the present approximate method, which is shown to be rather simple and convenient to use, is found to yield rapidly converging and sufficiently accurate results

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.

Probing alpha-helical and beta-sheet structures of peptides at solid/liquid interfaces with SFG.

Science.gov (United States)

Chen, Xiaoyun; Wang, Jie; Sniadecki, Jason J; Even, Mark A; Chen, Zhan

2005-03-29

We demonstrated that sum frequency generation (SFG) vibrational spectroscopy can distinguish different secondary structures of proteins or peptides adsorbed at solid/liquid interfaces. The SFG spectrum for tachyplesin I at the polystyrene (PS)/solution interface has a fingerprint peak corresponding to the B1/B3 mode of the antiparallel beta-sheet. This peak disappeared upon the addition of dithiothreitol, which can disrupt the beta-sheet structure. The SFG spectrum indicative of the MSI594 alpha-helical structure was observed at the PS/MSI594 solution interface. This research validates SFG as a powerful technique for revealing detailed secondary structures of interfacial proteins and peptides.

A Process and Environment Aware Sierra/SolidMechanics Cohesive Zone Modeling Capability for Polymer/Solid Interfaces

Energy Technology Data Exchange (ETDEWEB)

Reedy, E. D. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Chambers, Robert S. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Hughes, Lindsey Gloe [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Kropka, Jamie Michael [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Stavig, Mark E. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Stevens, Mark J. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

2015-09-01

The performance and reliability of many mechanical and electrical components depend on the integrity of po lymer - to - solid interfaces . Such interfaces are found in adhesively bonded joints, encapsulated or underfilled electronic modules, protective coatings, and laminates. The work described herein was aimed at improving Sandia's finite element - based capability to predict interfacial crack growth by 1) using a high fidelity nonlinear viscoelastic material model for the adhesive in fracture simulations, and 2) developing and implementing a novel cohesive zone fracture model that generates a mode - mixity dependent toughness as a natural consequence of its formulation (i.e., generates the observed increase in interfacial toughness wi th increasing crack - tip interfacial shear). Furthermore, molecular dynamics simulations were used to study fundamental material/interfa cial physics so as to develop a fuller understanding of the connection between molecular structure and failure . Also reported are test results that quantify how joint strength and interfacial toughness vary with temperature.

Heat Melt Compaction as an Effective Treatment for Eliminating Microorganisms from Solid Waste

Science.gov (United States)

Hummerick, Mary P.; Strayer, Richard F.; McCoy, Lashelle E.; Richards, Jeffrey T.; Ruby, Anna Maria; Wheeler, Ray; Fisher, John

2013-01-01

One of the technologies being tested at Ames Research Center as part of the logistics and repurposing project is heat melt compaction (HMC) of solid waste to reduce volume, remove water and render a biologically stable and safe product. Studies at Kennedy Space Center have focused on the efficacy of the heat melt compaction process for killing microorganisms in waste and specific compacter operation protocols, i.e., time and temperature required to achieve a sterile, stable product. The work. reported here includes a controlled study to examine the survival and potential re-growth of specific microorganisms over a 6-month period of storage after heating and compaction. Before heating and compaction, ersatz solid wastes were inoculated with Bacillus amyloliquefaciens and Rhodotorula mucilaginosa, previously isolated from recovered space shuttle mission food and packaging waste. Compacted HMC tiles were sampled for microbiological analysis at time points between 0 and 180 days of storage in a controlled environment chamber. In addition, biological indicator strips containing spores of Bacillus atrophaeus and Geobacillus stearothermophilus were imbedded in trash to assess the efficacy of the HMC process to achieve sterilization. Analysis of several tiles compacted at 180deg C for times of 40 minutes to over 2 hours detected organisms in all tile samples with the exception of one exposed to 180deg C for approximately 2 hours. Neither of the inoculated organisms was recovered, and the biological indicator strips were negative for growth in all tiles indicating at least local sterilization of tile areas. The findings suggest that minimum time/temperature combination is required for complete sterilization. Microbial analysis of tiles processed at lower temperatures from 130deg C-150deg C at varying times will be discussed, as well as analysis of the bacteria and fungi present on the compactor hardware as a result of exposure to the waste and the surrounding environment

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

Theoretical melting curve of caesium

International Nuclear Information System (INIS)

Simozar, S.; Girifalco, L.A.; Pennsylvania Univ., Philadelphia

1983-01-01

A statistical-mechanical model is developed to account for the complex melting curve of caesium. The model assumes the existence of three different species of caesium defined by three different electronic states. On the basis of this model, the free energy of melting and the melting curve are computed up to 60 kbar, using the solid-state data and the initial slope of the fusion curve as input parameters. The calculated phase diagram agrees with experiment to within the experimental error. Other thermodynamic properties including the entropy and volume of melting were also computed, and they agree with experiment. Since the theory requires only one adjustable constant, this is taken as strong evidence that the three-species model is satisfactory for caesium. (author)

SLUDGE BATCH 4 BASELINE MELT RATE FURNACE AND SLURRY-FED MELT RATE FURNACE TESTS WITH FRITS 418 AND 510 (U)

International Nuclear Information System (INIS)

Smith, M; Timothy Jones, T; Donald02 Miller, D

2007-01-01

' describes the number of equivalent canisters that would be produced from the beginning of the current contract period before SB3 is blended with SB4. The melt rate for the SMRF SB4/Frit 510 test was 14.6 grams/minute. Due to cold cap mounding problems with the SMRF SB4/Frit 418 feed at 50 weight % solids that prevented a melt rate determination, this feed was diluted to 45 weight % solids. The melt rate for this diluted feed was 8.9 grams/minute. A correction factor of 1.2 for estimating the melt rate at 50 weight % solids from 45 weight % solids test results (based on previous SMRF testing5) was then used to estimate a melt rate of 10.7 grams/minute for SB4/Frit 418 at 50 weight % solids. Therefore, the use of Frit 510 versus Frit 418 with SB4 resulted in a higher melt rate (14.6 versus an estimated 10.7 grams/minute). For reference, a previous SMRF test with SB3/Frit 418 feed at 35% waste loading and 50 weight % solids resulted in a melt rate of 14.1 grams/minute. Therefore, depending on the actual feed rheology, the use of Frit 510 with SB4 could result in similar melt rates as experienced with SB3/Frit 418 feed in the DWPF

Observation of mass flux through hcp 4He off the melting curve

International Nuclear Information System (INIS)

Ray, M W; Hallock, R B

2009-01-01

Solid hcp 4 He has been created off the melting curve using two growth techniques. In an effort to observe the flow of 4 He through the solid, rather than squeezing the solid directly, the experimental apparatus allows injection of 4 He atoms from superfluid in porous Vycor directly into the solid. We will describe the apparatus and our observations. Evidence for the transport of mass through a sample cell filled with hcp solid 4 He off the melting curve is found. The temperature and pressure dependence of this behavior will be presented.

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

Phase transitions, melting dynamics, and solid-state diffusion in a nano test tube.

Science.gov (United States)

Holmberg, Vincent C; Panthani, Matthew G; Korgel, Brian A

2009-10-16

Confined nanoscale geometry greatly influences physical transformations in materials. The electron microscope enables direct visualization of these changes. We examined the evolution of a germanium (Ge) nanowire attached to a gold (Au) nanocrystal as it was heated to 900 degrees C. The application of a carbon shell prevented changes in volume and interfacial area during the heating cycle. Au/Ge eutectic formation was visualized, occurring 15 degrees C below the bulk eutectic temperature. Capillary pressure pushed the melt into the cylindrical neck of the nanowire, and Ge crystallized in the spherical tip of the carbon shell. Solid-state diffusion down the length of the confined Ge nanowire was observed at temperatures above 700 degrees C; Au diffusion was several orders of magnitude slower than in a bulk Ge crystal.

Improved capacitive melting curve measurements

International Nuclear Information System (INIS)

Sebedash, Alexander; Tuoriniemi, Juha; Pentti, Elias; Salmela, Anssi

2009-01-01

Sensitivity of the capacitive method for determining the melting pressure of helium can be enhanced by loading the empty side of the capacitor with helium at a pressure nearly equal to that desired to be measured and by using a relatively thin and flexible membrane in between. This way one can achieve a nanobar resolution at the level of 30 bar, which is two orders of magnitude better than that of the best gauges with vacuum reference. This extends the applicability of melting curve thermometry to lower temperatures and would allow detecting tiny anomalies in the melting pressure, which must be associated with any phenomena contributing to the entropy of the liquid or solid phases. We demonstrated this principle in measurements of the crystallization pressure of isotopic helium mixtures at millikelvin temperatures by using partly solid pure 4 He as the reference substance providing the best possible universal reference pressure. The achieved sensitivity was good enough for melting curve thermometry on mixtures down to 100 μK. Similar system can be used on pure isotopes by virtue of a blocked capillary giving a stable reference condition with liquid slightly below the melting pressure in the reference volume. This was tested with pure 4 He at temperatures 0.08-0.3 K. To avoid spurious heating effects, one must carefully choose and arrange any dielectric materials close to the active capacitor. We observed some 100 pW loading at moderate excitation voltages.

Effects of chemical composition of fly ash on efficiency of metal separation in ash-melting of municipal solid waste

Energy Technology Data Exchange (ETDEWEB)

Okada, Takashi, E-mail: t-okada@u-fukui.ac.jp [Laboratory of Solid Waste Disposal Engineering, Graduate School of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628 (Japan); Tomikawa, Hiroki [Laboratory of Solid Waste Disposal Engineering, Graduate School of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628 (Japan)

2013-03-15

Highlights: ► Separation of Pb and Zn from Fe and Cu in ash-melting of municipal solid waste. ► Molar ratio of Cl to Na and K in fly ash affected the metal-separation efficiency. ► The low molar ratio and a non-oxidative atmosphere were better for the separation. - Abstract: In the process of metal separation by ash-melting, Fe and Cu in the incineration residue remain in the melting furnace as molten metal, whereas Pb and Zn in the residue are volatilized. This study investigated the effects of the chemical composition of incineration fly ash on the metal-separation efficiency of the ash-melting process. Incineration fly ash with different chemical compositions was melted with bottom ash in a lab-scale reactor, and the efficiency with which Pb and Zn were volatilized preventing the volatilization of Fe and Cu was evaluated. In addition, the behavior of these metals was simulated by thermodynamic equilibrium calculations. Depending on the exhaust gas treatment system used in the incinerator, the relationships among Na, K, and Cl concentrations in the incineration fly ash differed, which affected the efficiency of the metal separation. The amounts of Fe and Cu volatilized decreased by the decrease in the molar ratio of Cl to Na and K in the ash, promoting metal separation. The thermodynamic simulation predicted that the chlorination volatilization of Fe and Cu was prevented by the decrease in the molar ratio, as mentioned before. By melting incineration fly ash with the low molar ratio in a non-oxidative atmosphere, most of the Pb and Zn in the ash were volatilized leaving behind Fe and Cu.

The dynamics of nucleation and growth of a particle in the ternary alloy melt with anisotropic surface tension.

Science.gov (United States)

Chen, Ming-Wen; Li, Lin-Yan; Guo, Hui-Min

2017-08-28

The dynamics of nucleation and growth of a particle affected by anisotropic surface tension in the ternary alloy melt is studied. The uniformly valid asymptotic solution for temperature field, concentration field, and interface evolution of nucleation and particle growth is obtained by means of the multiple variable expansion method. The asymptotic solution reveals the critical radius of nucleation in the ternary alloy melt and an inward melting mechanism of the particle induced by the anisotropic effect of surface tension. The critical radius of nucleation is dependent on isotropic surface tension, temperature undercooling, and constitutional undercooling in the ternary alloy melt, and the solute diffusion melt decreases the critical radius of nucleation. Immediately after a nucleus forms in the initial stage of solidification, the anisotropic effect of surface tension makes some parts of its interface grow inward while some parts grow outward. Until the inward melting attains a certain distance (which is defined as "the melting depth"), these parts of interface start to grow outward with other parts. The interface of the particle evolves into an ear-like deformation, whose inner diameter may be less than two times the critical radius of nucleation within a short time in the initial stage of solidification. The solute diffusion in the ternary alloy melt decreases the effect of anisotropic surface tension on the interface deformation.

A Miniaturized Extruder to Prototype Amorphous Solid Dispersions: Selection of Plasticizers for Hot Melt Extrusion.

Science.gov (United States)

Lauer, Matthias E; Maurer, Reto; Paepe, Anne T De; Stillhart, Cordula; Jacob, Laurence; James, Rajesh; Kojima, Yuki; Rietmann, Rene; Kissling, Tom; van den Ende, Joost A; Schwarz, Sabine; Grassmann, Olaf; Page, Susanne

2018-05-19

Hot-melt extrusion is an option to fabricate amorphous solid dispersions and to enhance oral bioavailability of poorly soluble compounds. The selection of suitable polymer carriers and processing aids determines the dissolution, homogeneity and stability performance of this solid dosage form. A miniaturized extrusion device (MinEx) was developed and Hypromellose acetate succinate type L (HPMCAS-L) based extrudates containing the model drugs neurokinin-1 (NK1) and cholesterylester transfer protein (CETP) were manufactured, plasticizers were added and their impact on dissolution and solid-state properties were assessed. Similar mixtures were manufactured with a lab-scale extruder, for face to face comparison. The properties of MinEx extrudates widely translated to those manufactured with a lab-scale extruder. Plasticizers, Polyethyleneglycol 4000 (PEG4000) and Poloxamer 188, were homogenously distributed but decreased the storage stability of the extrudates. Stearic acid was found condensed in ultrathin nanoplatelets which did not impact the storage stability of the system. Depending on their distribution and physicochemical properties, plasticizers can modulate storage stability and dissolution performance of extrudates. MinEx is a valuable prototyping-screening method and enables rational selection of plasticizers in a time and material sparing manner. In eight out of eight cases the properties of the extrudates translated to products manufactured in lab-scale extrusion trials.

Development of a high speed extrusion concept using a floating screw sleeve for solid-melt-separation

Science.gov (United States)

Karrenberg, Gregor; Wortberg, Johannes

2015-05-01

The High-Speed-S-Truder with floating screw sleeve is an alternative extrusion concept with solid-melt-separation. A fairly conventional 35 mm screw with a length of 21 D, which is accelerated by a 75 kW gearless, water cooled synchronous drive, conveys the resin into a 60 mm screw sleeve with a length of 10 D. Inside the sleeve the material is plasticizied and discharged into the outer screw channel of the sleeve through radial bores. Only the solid bed remains inside. The development of a melt pool - and thus a decrease of the plasticizing capacity - is avoided. The sleeve is rotated by drag forces only (approximately 10 - 15 % of the screw speed). Due to the low speed of the screw sleeve molten material is conveyed to a 4 D Dynamic Mixing Ring in a gentle manner. The DMRs floating ring and the screw sleeve are directly coupled. The granules in the screw channel are stopped by a barrier on the screw in front of the mixing device. So nearly no unmelted material can pass the system. For temperature management in the plastification and mixing zone a 3-zone heating/air-cooling system is used. Various kinds of experiments with the High-Speed S-Truder were conducted. Reachable throughputs with different types of material (LDPE, LLDPE, PP, PS) have been tested. Also three screw geometries, which are mainly varying in the channel depth, were compared. Experimental results and theoretical background will be described in this paper.

Nonplanar ion acoustic waves with kappa-distributed electrons

International Nuclear Information System (INIS)

Sahu, Biswajit

2011-01-01

Using the standard reductive perturbation technique, nonlinear cylindrical and spherical Kadomtsev-Petviashvili equations are derived for the propagation of ion acoustic solitary waves in an unmagnetized collisionless plasma with kappa distributed electrons and warm ions. The influence of kappa-distributed electrons and the effects caused by the transverse perturbation on cylindrical and spherical ion acoustic waves (IAWs) are investigated. It is observed that increase in the kappa distributed electrons (i.e., decreasing κ) decreases the amplitude of the solitary electrostatic potential structures. The numerical results are presented to understand the formation of ion acoustic solitary waves with kappa-distributed electrons in nonplanar geometry. The present investigation may have relevance in the study of propagation of IAWs in space and laboratory plasmas.

Stringent limitations on reductive perturbation studies of nonplanar acoustic solitons in plasmas

Energy Technology Data Exchange (ETDEWEB)

Verheest, Frank [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281, B–9000 Gent (Belgium); School of Chemistry and Physics, University of KwaZulu-Natal, Durban 4000 (South Africa); Hellberg, Manfred A. [School of Chemistry and Physics, University of KwaZulu-Natal, Durban 4000 (South Africa)

2016-06-15

More than fifty years ago, the Korteweg-de Vries equation was shown to describe not only solitary surface waves on shallow water, but also nonlinear ion-acoustic waves. Because of the algorithmic ease of using reductive perturbation theory, intensive research followed on a wide range of wave types. Soon, the formalism was extended to nonplanar modes by introducing a stretching designed to accommodate spherically and cylindrically symmetric ion-acoustic waves. Over the last two decades many authors followed this approach, but almost all have ignored the severe restrictions in parameter space imposed by the Ansatz. In addition, for other steps in the formalism, the justification is often not spelled out, leading to effects that are physically undesirable or ambiguous. Hence, there is a need to critically assess this approach to nonplanar modes and to use it with the utmost care, respecting the restrictions on its validity. Only inward propagation may be meaningfully studied and respect for weak nonlinearities of at most 1/10 implies that one cannot get closer to the axis or centre of symmetry than about 30 Debye lengths. Thus, one is in a regime where the modes are quasi-planar and not particularly interesting. Most papers disregard these constraints and hence reach questionable conclusions.

Shape evolution of a melting nonspherical particle

Science.gov (United States)

Kintea, Daniel M.; Hauk, Tobias; Roisman, Ilia V.; Tropea, Cameron

2015-09-01

In this study melting of irregular ice crystals was observed in an acoustic levitator. The evolution of the particle shape is captured using a high-speed video system. Several typical phenomena have been discovered: change of the particle shape, appearance of a capillary flow of the melted liquid on the particle surface leading to liquid collection at the particle midsection (where the interface curvature is smallest), and appearance of sharp cusps at the particle tips. No such phenomena can be observed during melting of spherical particles. An approximate theoretical model is developed which accounts for the main physical phenomena associated with melting of an irregular particle. The agreement between the theoretical predictions for the melting time, for the evolution of the particle shape, and the corresponding experimental data is rather good.

Covalent functionalization of octagraphene with magnetic octahedral B6- and non-planar C6- clusters

Science.gov (United States)

Chigo-Anota, E.; Cárdenas-Jirón, G.; Salazar Villanueva, M.; Bautista Hernández, A.; Castro, M.

2017-10-01

The interaction between the magnetic boron octahedral (B6-) and non-planar (C6-) carbon clusters with semimetal nano-sheet of octa-graphene (C64H24) in the gas phase is studied by means of DFT calculations. These results reveal that non-planar-1 (anion) carbon cluster exhibits structural stability, low chemical reactivity, magnetic (1.0 magneton bohr) and semiconductor behavior. On the other hand, there is chemisorption phenomena when the stable B6- and C6- clusters are absorbed on octa-graphene nanosheets. Such absorption generates high polarity and the low-reactivity remains as on the individual pristine cases. Electronic charge transference occurs from the clusters toward the nanosheets, producing a reduction of the work function for the complexes and also induces a magnetic behavior on the functionalized sheets. The quantum descriptors obtained for these systems reveal that they are feasible candidates for the design of molecular circuits, magnetic devices, and nano-vehicles for drug delivery.

Technological properties and structure of titanate melts

International Nuclear Information System (INIS)

Morozov, A.A.

2002-01-01

Power substantiation of existence of tough stream of complex anion ([TiO 6 ] 8- ) as a prevalent unit in titanate melts is given on the base of up-to-date knowledge about structure of metallurgical slags and results of investigations of thermophysical properties of these melts. It is shown that high crystallization ability of titanate melts at technological temperatures is determined by heterogeneity of liquid state - by presence up to 30 % of dispersed particles of solid phase solutions in matrix liquid [ru

Effects of humidity and surfaces on the melt crystallization of ibuprofen.

Science.gov (United States)

Lee, Dong-Joo; Lee, Suyang; Kim, Il Won

2012-01-01

Melt crystallization of ibuprofen was studied to understand the effects of humidity and surfaces. The molecular self-assembly during the amorphous-to-crystal transformation was examined in terms of the nucleation and growth of the crystals. The crystallization was on Al, Au, and self-assembled monolayers with -CH(3), -OH, and -COOH functional groups. Effects of the humidity were studied at room temperature (18-20 °C) with relative humidity 33%, 75%, and 100%. Effects of the surfaces were observed at -20 °C (relative humidity 36%) to enable close monitoring with slower crystal growth. The nucleation time of ibuprofen was faster at high humidity conditions probably due to the local formation of the unfavorable ibuprofen melt/water interface. The crystal morphologies of ibuprofen were governed by the nature of the surfaces, and they could be associated with the growth kinetics by the Avrami equation. The current study demonstrated the effective control of the melt crystallization of ibuprofen through the melt/atmosphere and melt/surface interfaces.

Corrosion Resistance of Steels and Armco-Fe in Lead Melt Saturated by Oxygen at 550 degree C

International Nuclear Information System (INIS)

Tsisar, V.P.; Fedirko, V.N.; Eliseeva, O.I.

2007-01-01

Corrosion resistance of stainless steels and Armco-Fe in static lead melt saturated by oxygen at 550 degree C for 2000 h was investigated. It was determined that double oxide layer was formed on the surface of investigated materials. Outer part of double oxide growths from the initial interface 'solid metal/liquid lead' towards the melt and consists of Fe 3 O 4 . Inner part of double oxide based on the matrix is composed of Fe 3 O 4 for Armco-Fe, Fe 1+x Cr 2-x O 4 for martensitic 0.2 C-13 Cr and ferritic-martensitic EP823 steels and Fe 1+x Cr 2- xO 4 +Ni for austenitic 18Cr-10Ni-1Ti. Lead did not penetrate into the matrix of tested materials and was detected only in the scale formed on austenitic steel

Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps

Energy Technology Data Exchange (ETDEWEB)

Henager, Charles H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gao, Fei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hu, Shenyang Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lin, Guang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bylaska, Eric J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zabaras, Nicholas [Cornell Univ., Ithaca, NY (United States)

2012-11-01

This one-year, study topic project will survey and investigate the known state-of-the-art of modeling and simulation methods suitable for performing fine-scale, fully 3-D modeling, of the growth of CZT crystals at the melt-solid interface, and correlating physical growth and post-growth conditions with generation and incorporation of defects into the solid CZT crystal. In the course of this study, this project will also identify the critical gaps in our knowledge of modeling and simulation techniques in terms of what would be needed to be developed in order to perform accurate physical simulations of defect generation in melt-grown CZT. The transformational nature of this study will be, for the first time, an investigation of modeling and simulation methods for describing microstructural evolution during crystal growth and the identification of the critical gaps in our knowledge of such methods, which is recognized as having tremendous scientific impacts for future model developments in a wide variety of materials science areas.

Planar and nonplanar electron-acoustic solitary waves in a plasma with a q-nonextensive electron velocity distribution

International Nuclear Information System (INIS)

Han, Jiu-Ning; Luo, Jun-Hua; Sun, Gui-Hua; Liu, Zhen-Lai; Ge, Su-Hong; Wang, Xin-Xing; Li, Jun-Xiu

2014-01-01

The nonlinear dynamics of nonplanar (cylindrical and spherical) electron-acoustic solitary wave structures in an unmagnetized, collisionless plasma composed of stationary ions, cold fluid electrons and hot q-nonextensive distributed electrons are theoretically studied. We discuss the effects of the nonplanar geometry, nonextensivity of hot electrons and ‘hot’ to ‘cold’ electron number density ratio on the time evolution characters of cylindrical and spherical solitary waves. Moreover, the effects of plasma parameters on the nonlinear structure induced by the interaction between two planar solitary waves are also investigated. It is found that these plasma parameters have significant influences on the properties of the above-mentioned nonlinear structures. Our theoretical study may be useful to understand the nonlinear features of electron-acoustic wave structures in astrophysical plasma systems. (paper)

Influence of the solid-gas interface on the effective thermal parameters of a two-layer structure in photoacoustic experiments

International Nuclear Information System (INIS)

Aguirre, N Munoz; Perez, L MartInez; Garibay-Febles, V; Lozada-Cassou, M

2004-01-01

From the theoretical point of view, the influence of the solid-gas interface on the effective thermal parameters in a two-layer structure of the photoacoustic technique is discussed. It is shown that the effective thermal parameters depend strongly upon the thermal resistance value associated with the solid-gas interface. New expressions for the effective thermal conductivity and thermal diffusivity in the low frequency limit are obtained. In the high frequency limit, the 'resonant' behaviour of the effective thermal diffusivity is maintained and a new complex dependence on frequency of the effective thermal conductivity is shown

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.

Application of Young-Michelson and Brown-Twiss interferometers for determining geometric parameters of nonplanar rough objects

NARCIS (Netherlands)

Mandrosov, V. I.

The possibility of using Young-Michelson and Brown-Twiss interferometers for measuring the angular dimensions and parameters of the surface shape of remote passively scattering and self-luminous nonplanar rough objects by optical radiation propagating from them is substantiated. The analysis is

Resolving amorphous solid-liquid interfaces by atomic force microscopy

International Nuclear Information System (INIS)

Burson, Kristen M.; Gura, Leonard; Kell, Burkhard; Büchner, Christin; Lewandowski, Adrian L.; Heyde, Markus; Freund, Hans-Joachim

2016-01-01

Recent advancements in liquid atomic force microscopy make it an ideal technique for probing the structure of solid-liquid interfaces. Here, we present a structural study of a two-dimensional amorphous silica bilayer immersed in an aqueous solution utilizing liquid atomic force microscopy with sub-nanometer resolution. Structures show good agreement with atomically resolved ultra-high vacuum scanning tunneling microscopy images obtained on the same sample system, owing to the structural stability of the silica bilayer and the imaging clarity from the two-dimensional sample system. Pair distance histograms of ring center positions are utilized to develop quantitative metrics for structural comparison, and the physical origin of pair distance histogram peaks is addressed by direct assessment of real space structures.

Temperature fluctuations in a LiNbO 3 melt during crystal growth

Science.gov (United States)

Suzuki, Tetsuro

2004-10-01

Variations in temperature induced by forced convection on the surface of a LiNbO3 melt during crystal growth have been studied. Temperature measurements on the melt surface of single crystals growing (∅ 50 mm) at rotation rates of 15-40 rpm on an RF-heated Czochralski puller has revealed that the melt surface continuously alternates between a steady and unsteady state of flow. This was attributed to the intermittently turbulent flow mode at intermediate rotation rates. The fluctuation period is thought to depend on the thickness of its boundary layer. The boundary layer varies in thickness due to the melt flow, which stops as the interface moves toward the crystal and resumes once the interface reverts to its former position. By contrast, at above 60 rpm, the melt surface temperature drops without fluctuation, indicating that turbulent flow is dominant at faster rotation rates.

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.)

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 ...

Nonplanar Tertiary Amides in Rigid Chiral Tricyclic Dilactams. Peptide Group Distortions and Vibrational Optical Activity

Czech Academy of Sciences Publication Activity Database

Pazderková, Markéta; Profant, V.; Hodačová, J.; Šebestík, Jaroslav; Pazderka, T.; Novotná, P.; Urbanová, M.; Šafařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, V.; Maloň, Petr

2013-01-01

Roč. 117, č. 33 (2013), s. 9626-9642 ISSN 1520-6106 R&D Projects: GA ČR GAP205/10/1276 Institutional support: RVO:61388963 Keywords : spirodilactams * amide bond * vibrational circular dichroism * non-planarity * Raman optical activity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.377, year: 2013

Study of nonlinear electron-acoustic solitary and shock waves in a dissipative, nonplanar space plasma with superthermal hot electrons

Energy Technology Data Exchange (ETDEWEB)

Han, Jiu-Ning, E-mail: hanjiuning@126.com; He, Yong-Lin; Luo, Jun-Hua; Nan, Ya-Gong; Han, Zhen-Hai; Dong, Guang-Xing [College of Physics and Electromechanical Engineering, Hexi University, Zhangye 734000 (China); Duan, Wen-Shan [College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); Li, Jun-Xiu [College of Civil Engineering, Hexi University, Zhangye 734000 (China)

2014-01-15

With the consideration of the superthermal electron distribution, we present a theoretical investigation about the nonlinear propagation of electron-acoustic solitary and shock waves in a dissipative, nonplanar non-Maxwellian plasma comprised of cold electrons, superthermal hot electrons, and stationary ions. The reductive perturbation technique is used to obtain a modified Korteweg-de Vries Burgers equation for nonlinear waves in this plasma. We discuss the effects of various plasma parameters on the time evolution of nonplanar solitary waves, the profile of shock waves, and the nonlinear structure induced by the collision between planar solitary waves. It is found that these parameters have significant effects on the properties of nonlinear waves and collision-induced nonlinear structure.

Monolayer self-assembly at liquid-solid interfaces: chirality and electronic properties of molecules at surfaces

International Nuclear Information System (INIS)

Amabilino, David B; Gomar-Nadal, Elba; Veciana, Jaume; Rovira, Concepcio; Iavicoli, Patrizia; PuigmartI-Luis, Josep; Feyter, Steven De; Abdel-Mottaleb, Mohamed M; Mamdouh, Wael; Psychogyiopoulou, Krystallia; Xu Hong; Lazzaroni, Roberto; Linares, Mathieu; Minoia, Andrea

2008-01-01

The spontaneous formation of supramolecular assemblies at the boundary between solids and liquids is a process which encompasses a variety of systems with diverse characteristics: chemisorbed systems in which very strong and weakly reversible bonds govern the assembly and physisorbed aggregates which are dynamic thanks to the weaker interactions between adsorbate and surface. Here we review the interest and advances in the study of chiral systems at the liquid-solid interface, and also the application of this configuration for the study of systems of interest in molecular electronics, self-assembled from the bottom up

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

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

Electrochemical conversion of solid Nb{sub 2}O{sub 5} to Nb in sodium chloride melt as proof of oxygen ionisation mechanism of electrodeoxidation

Energy Technology Data Exchange (ETDEWEB)

Sri Maha Vishnu, D., E-mail: smvd2@cam.ac.uk [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, 603102 (India); Presently with Materials Chemistry Group, Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, CB3 0FS (United Kingdom); Sanil, N.; Mohandas, K.S. [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, 603102 (India)

2016-08-25

The direct electrochemical reduction of a solid metal oxide (MO{sub x}) to metal (M) in calcium chloride melt (FFC Cambridge process) has been proposed to take place via. oxygen ionisation mechanism, MO{sub x} + 2xe{sup −} → M + xO{sup 2−}. However, generation of calcium metal and reduction of the oxide with it too becomes possible under the applied potential condition (3.1 V) of an FFC cell. The unique chemistry of calcium chloride melt, upon cathodic polarisation, makes it difficult to distinguish between the reduction by electrons and calcium metal. Hence in order to confirm the oxygen ionisation theory of electro-deoxidation, electrochemical deoxidation experiments were carried out with sintered Nb{sub 2}O{sub 5} pellet electrodes in molten sodium chloride at 1173 K. The pellets were found reduced to Nb metal. Sodiothermic reduction of Nb{sub 2}O{sub 5} is thermodynamically not feasible (Nb{sub 2}O{sub 5} + 10Na → 5Na{sub 2}O + 2Nb, ΔG°{sub 1173K} = 102.1 kJ) and hence the observed reduction of the oxide is attributed to electrons. This study, for the first time, gives reliable experimental evidence to the oxygen ionisation mechanism of electro-reduction of solid oxides in the FFC process. The experimental results also prove that the electro-reduction of oxides can occur in melts, which otherwise were considered unsuitable from thermodynamic considerations. - Highlights: • In NaCl melt: Negligible O{sup 2−} ion solubility & Na reduction of Nb{sub 2}O{sub 5} to Nb – absent. • Nb{sub 2}O{sub 5} could be electrochemically reduced to spongy Nb in NaCl melt at 1173 K. • Mechanism: Nb{sub 2}O{sub 5} → Na−Nb−O compounds + suboxides of Nb → Na{sub x}NbO{sub y} → Nb. • Metallothermic reduction of oxide in melt - not mandatory for electrodeoxidation. • In FFC Cambridge process: Metallothermic reduction is not essential but desirable.

Three-Phase Melting Curves in the Binary System of Carbon Dioxide and Water

Science.gov (United States)

Abramson, E. H.

2017-10-01

Invariant, three-phase melting curves, of ice VI in equilibrium with solid CO2, of ice VII in equilibrium with solid CO2, and of solid CO2 in simultaneous equilibrium with a majority aqueous and a majority CO2 fluid, were explored in the binary system of carbon dioxide and water. Diamond-anvil cells were used to develop pressures of 5 GPa. Water exhibits a large melting temperature depression (73°C less than its pure melting temperature of 253°C at 5 GPa) indicative of large concentrations of CO2 in the aqueous solution. The melting point of water-saturated CO2 does not show a measureable departure from that of the pure system at temperatures lower than ∼200°C and only 10°C at 5 GPa (from 327°C).

Probing buried solid-solid interfaces in magnetic multilayer structures and other nanostructures using spectroscopy excited by soft x-ray standing waves

International Nuclear Information System (INIS)

Yang, S.-H.; Mun, B.S.; Mannella, N.; Sell, B.; Ritchey, S.B.; Fadley, C.S.; Pham, L.; Nambu, A.; Watanabe, M.

2004-01-01

Full text: Buried solid-solid interfaces are becoming increasingly more important in all aspects of nanoscience, and we here dis- cuss the st applications of a new method for selectively studying them with the vuv/soft x-ray spectroscopies. As specific examples, magnetic multilayer structures represent key elements of current developments in spintronics, including giant magnetoresistance, exchange bias, and magnetic tunnel resistance. The buried interfaces in such structures are of key importance to their performance, but have up to now been difficult to study selectively with these spectroscopies. This novel method involves excitation of photoelectrons or fluorescent x-rays with soft x-ray standing waves created by Bragg reflection from a multilayer mirror substrate on which the sample is grown. We will discuss core and valence photoemission, as well soft x-ray emission, results from applying this method to multilayer structures relevant to both giant magnetoresistance (Fe/Cr-[2]) and magnetic tunnel junctions (Al 2 O 3 /FeCo) , including magnetic dichroism measurements. Work supported by the Director, Of e of Science, Of e of Basic Energy Sciences, Materials Science and Engineering Division, U.S. Department of Energy, Contract No. DE-AC03-76SF000

Disentangled solid state and metastable polymer melt; a solvent free route to high-modulus high-strength tapes and films of UHMWPE

Science.gov (United States)

Rastogi, Sanjay

2013-03-01

Ultra High Molecular Weight Polyethylene (UHMWPE) having average molar mass greater than a million g/mol is an engineering polymer. Due to its light-weight, high abrasion resistance and biocompatibility it is used for demanding applications such as body armour, prostheses etc. At present, because of its high melt viscosity to achieve the uniaxial/biaxial properties in the form of fibers/films the polymer is processed via solution route where nearly 95wt% of the solvent is used to process 5wt% of the polymer. In past several attempts have been made to process the polymer without using any solvent. However, compared to the solvent processing route the achieved mechanical properties were rather poor. Here we show that by controlled synthesis it is feasible to obtain UHMWPE that could be processed free of solvent to make uniaxial tapes and biaxial films, having unprecedented mechanical properties, exceeding that of the solution spun fibers. We address some of the fundamental aspects of chemistry, physics, rheology and processing for the development of desired morphological features to achieve the ultimate mechanical properties in tapes and films. The paper will also address the metastable melt state obtained on melting of the disentangled crystals and its implication on rheology in linear and nonlinear viscoelastic region. Solid state NMR studies will be applied to establish disentangled state in solid state to the polymerisation conditions. References: Macromolecules 2011, 44(14), 5558-5568; Nature Materials 2005, 4, 635-641; Phys Rev Lett 2006, 96(21), 218303-218205. The authors acknowledge financial support by the Dutch Polymer Institute.

Fabrication of All-Solid-State Lithium-Ion Cells Using Three-Dimensionally Structured Solid Electrolyte Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} Pellets

Energy Technology Data Exchange (ETDEWEB)

Shoji, Mao; Munakata, Hirokazu; Kanamura, Kiyoshi, E-mail: kanamura@tmu.ac.jp [Department of Applied Chemistry, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, Tokyo (Japan)

2016-08-30

mechanically soft solid electrolyte with a low melting point at around 700°C was also applied as a supporting Li{sup +}-ion conductor to improve the LiCoO{sub 2}–LLZAl interface.

Mathematical model to analyze the dissolution behavior of metastable crystals or amorphous drug accompanied with a solid-liquid interface reaction.

Science.gov (United States)

Hirai, Daiki; Iwao, Yasunori; Kimura, Shin-Ichiro; Noguchi, Shuji; Itai, Shigeru

2017-04-30

Metastable crystals and the amorphous state of poorly water-soluble drugs in solid dispersions (SDs), are subject to a solid-liquid interface reaction upon exposure to a solvent. The dissolution behavior during the solid-liquid interface reaction often shows that the concentration of drugs is supersaturated, with a high initial drug concentration compared with the solubility of stable crystals but finally approaching the latter solubility with time. However, a method for measuring the precipitation rate of stable crystals and/or the potential solubility of metastable crystals or amorphous drugs has not been established. In this study, a novel mathematical model that can represent the dissolution behavior of the solid-liquid interface reaction for metastable crystals or amorphous drug was developed and its validity was evaluated. The theory for this model was based on the Noyes-Whitney equation and assumes that the precipitation of stable crystals at the solid-liquid interface occurs through a first-order reaction. Moreover, two models were developed, one assuming that the surface area of the drug remains constant because of the presence of excess drug in the bulk and the other that the surface area changes in time-dependency because of agglomeration of the drug. SDs of Ibuprofen (IB)/polyvinylpyrrolidone (PVP) were prepared and their dissolution behaviors under non-sink conditions were fitted by the models to evaluate improvements in solubility. The model assuming time-dependent surface area showed good agreement with experimental values. Furthermore, by applying the model to the dissolution profile, parameters such as the precipitation rate and the potential solubility of the amorphous drug were successfully calculated. In addition, it was shown that the improvement in solubility with supersaturation was able to be evaluated quantitatively using this model. Therefore, this mathematical model would be a useful tool to quantitatively determine the supersaturation

Effects of Humidity and Surfaces on the Melt Crystallization of Ibuprofen

Directory of Open Access Journals (Sweden)

Il Won Kim

2012-08-01

Full Text Available Melt crystallization of ibuprofen was studied to understand the effects of humidity and surfaces. The molecular self-assembly during the amorphous-to-crystal transformation was examined in terms of the nucleation and growth of the crystals. The crystallization was on Al, Au, and self-assembled monolayers with –CH₃, –OH, and –COOH functional groups. Effects of the humidity were studied at room temperature (18–20 °C with relative humidity 33%, 75%, and 100%. Effects of the surfaces were observed at −20 °C (relative humidity 36% to enable close monitoring with slower crystal growth. The nucleation time of ibuprofen was faster at high humidity conditions probably due to the local formation of the unfavorable ibuprofen melt/water interface. The crystal morphologies of ibuprofen were governed by the nature of the surfaces, and they could be associated with the growth kinetics by the Avrami equation. The current study demonstrated the effective control of the melt crystallization of ibuprofen through the melt/atmosphere and melt/surface interfaces.

Melt-quenched glasses of metal-organic frameworks

DEFF Research Database (Denmark)

Bennett, T.D.; Yue, Yuanzheng; Li, P.

2016-01-01

Crystalline solids dominate the field of metal−organic frameworks (MOFs), with access to the liquid and glass states of matter usually prohibited by relatively low temperatures of thermal decomposition. In this work, we give due consideration to framework chemistry and topology to expand...... of other MOFs. The glasses formed upon vitrification are chemically and structurally distinct from the three other existing categories of melt-quenched glasses (inorganic nonmetallic, organic, and metallic), and retain the basic metal−ligand connectivity of crystalline MOFs, which connects their mechanical...... the phenomenon of the melting of 3D MOFs, linking crystal chemistry to framework melting temperature and kinetic fragility of the glass-forming liquids. Here we show that melting temperatures can be lowered by altering the chemistry of the crystalline MOF state, which provides a route to facilitate the melting...

A new technique for determining orientation and motion of a 2-D, non-planar magnetopause

Directory of Open Access Journals (Sweden)

A. Blagau

2010-03-01

Full Text Available For a four-point mission like Cluster, the differences in position and time when the satellites detect the magnetopause or any other discontinuity, can be used to infer the discontinuity local orientation, thickness and motion. This timing technique, commonly assuming a planar geometry, offers an independent check for various single-spacecraft techniques. In the present paper we propose an extension of the timing method, capable of determining in a self-consistent way the macroscopic parameters of a two-dimensional, non-planar discontinuity. Such a configuration can be produced by a local bulge or indentation in the magnetopause, or by a large amplitude wave traveling on this surface, and is recognized in Cluster data when the single spacecraft techniques provide different individual normals contained roughly in the same plane. The model we adopted for the magnetopause assumes a layer of constant thickness of either cylindrical or parabolic shape, which has one or two degrees of freedom for the motion in the plane of the individual normals. The method was further improved by incorporating in a self-consistent way the requirement of minimum magnetic field variance along the magnetopause normal. An additional assumption, required in a previously proposed non-planar technique, i.e. that the non-planarity has negligible effects on the minimum variance analysis, is thus avoided. We applied the method to a magnetopause transition for which the various planar techniques provided inconsistent results. By contrast, the solutions obtained from the different implementations of the new 2-D method were consistent and stable, indicating a convex shape for the magnetopause. These solutions perform better than the planar solutions from the normal magnetic field variance perspective. The magnetopause dynamics and the presence of a non-zero normal magnetic field component in the analyzed event are discussed.

Determination of the bonding strength in solid oxide fuel cells' interfaces by Schwickerath crack initiation test

DEFF Research Database (Denmark)

Boccaccini, D. N.; Sevecek, O.; Frandsen, Henrik Lund

2017-01-01

An adaptation of the Schwickerath crack initiation test (ISO 9693) was used to determine the bonding strength between an anode support and three different cathodes with a solid oxide fuel cell interconnect. Interfacial elemental characterization of the interfaces was carried out by SEM/EDS analys...

REACTION PRODUCTS AND CORROSION OF MOLYBDENUM ELECTRODE IN GLASS MELT CONTAINING ANTIMONY OXIDES AND SODIUM SULFATE

Directory of Open Access Journals (Sweden)

JIŘÍ MATĚJ

2012-09-01

Full Text Available The products on the interface of a molybdenum electrode and glass melt were investigated primarily at 1400°C in three model glass melts without ingredients, with 1 % Sb2O3 and with 1 % Sb2O3 and 0.5 % SO3 (wt. %, both under and without load by alternating current. Corrosion of the molybdenum electrode in glass melt without AC load is higher by one order of magnitude if antimony oxides are present. The corrosion continues to increase if sulfate is present in addition to antimony oxides. Isolated antimony droplets largely occur on the electrode-glass melt interface, and numerous droplets are also dissipated in the surrounding glass if only antimony oxides are present in the glass melt. A comparatively continuous layer of antimony occurs on the interface if SO3 is also present, antimony being always in contact with molybdenum sulfide. Almost no antimony droplets are dissipated in the glass melt. The total amount of precipitated antimony also increases. The presence of sulfide on the interface likely facilitates antimony precipitation. The reaction of molybdenum with antimony oxides is inhibited in sites covered by an antimony layer. The composition of sulfide layers formed at 1400°C approximates that of Mo2S3. At 1100°C, the sulfide composition approximates that of MoS4. Corrosion multiplies in the glass melt without additions through the effect of AC current, most molybdenum being separated in the form of metallic particles. Corrosion also increases in the glass melt containing antimony oxides. This is due to increased corrosion in the neighborhood of the separated antimony droplets. This mechanism also results in the loosening of molybdenum particles. The amount of precipitated antimony also increases through the effect of the AC current. AC exerts no appreciable effect on either corrosion, the character of the electrode-glass interface, or antimony precipitation in the glass melt containing SO3.

Chaotic non-planar vibrations of the thin elastica. Part I: Experimental observation of planar instability

Science.gov (United States)

Cusumano, J. P.; Moon, F. C.

1995-01-01

In this two-part paper, the results of an investigation into the non-linear dynamics of a flexible cantilevered rod (the elastica) with a thin rectangular cross-section are presented. An experimental examination of the dynamics of the elastica over a broad parameter range forms the core of Part I. In Part II, the experimental work is related to a theoretical study of the mechanics of the elastica, and the study of a two-degree-of-freedom model obtained by modal projection. The experimental system used in this investigation is a rod with clamped-free boundary conditions, forced by sinusoidally displacing the clamped end. Planar periodic motions of the driven elastica are shown to lose stability at distinct resonant wedges, and the resulting motions are shown in general to be non-planar, chaotic, bending-torsion oscillations. Non-planar motions in all resonances exhibit energy cascading and dynamic two-well phenomena, and a family of asymmetric, bending-torsion non-linear modes is discovered. Correlation dimension calculations are used to estimate the number of active degrees of freedom in the system.

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

Bubble Induced Disruption of a Planar Solid-Liquid Interface During Controlled Directional Solidification in a Microgravity Environment

Science.gov (United States)

Grugel, Richard N.; Brush, Lucien N.; Anilkumar, Amrutur V.

2013-01-01

Pore Formation and Mobility Investigation (PFMI) experiments were conducted in the microgravity environment aboard the International Space Station with the intent of better understanding the role entrained porosity/bubbles play during controlled directional solidification. The planar interface in a slowing growing succinonitrile - 0.24 wt% water alloy was being observed when a nitrogen bubble traversed the mushy zone and remained at the solid-liquid interface. Breakdown of the interface to shallow cells subsequently occurred, and was later evaluated using down-linked data from a nearby thermocouple. These results and other detrimental effects due to the presence of bubbles during solidification processing in a microgravity environment are presented and discussed.

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)

Heat and Mass Transfer during Solid-Liquid Phase Transition of n-Alkanes in the C{sub 16} to C{sub 19} Range

Energy Technology Data Exchange (ETDEWEB)

Holmen, Rune

2002-07-01

The main goal of this project has been to study heat and mass transfer during solid-liquid phase transition of n-alkanes in the in the C{sub 16} to C{sub 19} range. Phase transitions of both mixtures and pure components have been investigated. All experiments and simulations have been performed without any convection. Thermal conductivities have been determined at the melting point for solid and liquid unbranched alkanes ranging from C{sub 16} to C{sub 19}. An assessment of the error of the method has been performed. The measurements of solid conductivities are in accordance with measurements reported previously and confirm the applicability of the method. Liquid conductivities are higher than extrapolated values from the literature. The enhanced conductivity is believed to be caused by structural changes close to the melting point which is not taken into account when extrapolating values from the literature. Experiments have been performed for the purpose of investigating the freezing of mixtures of n-alkanes in the C{sub 16}-C{sub 19} range. The positions of the solid-liquid interfaces have been measured as freezing occurred. Calculations of the ratio of liquid and solid conductivities show that the solid structure of mixtures of the investigated n-alkanes is predominantly in a rotator structure at the temperatures investigated. There are indications of a transformation into an orthorhombic structure at lower temperatures. The temperatures on the solid-liquid interface have been measured, and compared with calculated values from chapter 4. The temperature of the interface is represented better by the measured interfacial temperatures than by the calculated interfacial temperatures. The experimental results indicate that the diffusion of heat is the limiting mechanism of phase transition. This result in a homogeneous liquid composition. A numerical model has been developed in order to simulate the experimental freezing of mixtures. The model represents the results

The crystallization of a solid solution in a solvent and the stability of a growth interface

International Nuclear Information System (INIS)

Malmejac, Yves

1971-03-01

The potential uses of germanium-silicon alloys as thermoelectric generators in hitherto unexploited temperature ranges initiated the present study. Many delicate problems are encountered in the classical methods of preparation. An original technique was sought for crystallization in a metallic solvent. The thermodynamic equilibria between the various phases of the ternary System used were studied in order to justify the method used. The conditions (temperature and composition) were determined in which the cooling of a ternary liquid mixture induces the precipitation of a binary solid solution with the desired composition. If large crystals are to be obtained from the solid solution, metallic solvent precipitation must be replaced by a mono-directional solvent crystallization. The combined effect of a certain number of simple physical phenomena on the stability of a crystal liquid interface was studied: the morphological stability of the crystal growth interface is the first step towards obtaining perfect crystals. (author) [fr

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.

Nitrogen Control in VIM Melts

Science.gov (United States)

Jablonski, P. D.; Hawk, J. A.

NETL has developed a design and control philosophy for the addition of nitrogen to austenitic and ferritic steels. The design approach uses CALPHAD as the centerpiece to predict the level to which nitrogen is soluble in both the melt and the solid. Applications of this technique have revealed regions of "exclusion" in which the alloy, while within specification limits of prescribed, cannot be made by conventional melt processing. Furthermore, other investigations have found that substantial retrograde solubility of nitrogen exists, which can become problematic during subsequent melt processing and/or other finishing operations such as welding. Additionally, the CALPHAD method has been used to adjust primary melt conditions. To that end, nitrogen additions have been made using chrome nitride, silicon nitride, high-nitrogen ferrochrome as well as nitrogen gas. The advantages and disadvantages of each approach will be discussed and NETL experience in this area will be summarized with respect to steel structure.

Interface control document between Analytical Services and Solid Waste Disposal Division

International Nuclear Information System (INIS)

Venetz, T.J.

1995-01-01

This interface control document (ICD) between Analytical Services and Solid Waste Disposal (SWD) establishes a baseline description of the support needed and the wastes that will require management as part of the interface between the two divisions. It is important that each division has a clear understanding of the other division's expectations regarding levels and type of support needed. This ICD deals with the waste sampling support needed by SWD and the waste generated by the specified analytical laboratories. The baseline description of wastes includes waste volumes, characteristics and shipping schedules, which will be used to plan the proper support requirements. The laboratories included in this document are 222-S Laboratory Facility, the Waste Sampling and Characterization Facility (WSCF) and the Chemical Engineering Laboratory. These three facilities provide support to the entire site and are not associated with one major program/facility. The laboratories associated with major facilities or programs such as Engineering/Environmental Development Laboratory at K Basins Operation are not within the scope of this document

Electrochemical determination of the glass transition temperature of thin polyelectrolyte brushes at solid-liquid interfaces by impedance spectroscopy.

Science.gov (United States)

Alonso-García, Teodoro; Rodríguez-Presa, María José; Gervasi, Claudio; Moya, Sergio; Azzaroni, Omar

2013-07-16

Devising strategies to assess the glass transition temperature (Tg) of polyelectrolyte assemblies at solid-electrolyte interfaces is very important to understand and rationalize the temperature-dependent behavior of polyelectrolyte films in a wide range of settings. Despite the evolving perception of the importance of measuring Tg under aqueous conditions in thin film configurations, its straightforward measurement poses a challenging situation that still remains elusive in polymer and materials science. Here, we describe a new method based on electrochemical impedance spectroscopy (EIS) to estimate the glass transition temperature of planar polyelectrolyte brushes at solid-liquid interfaces. To measure Tg, the charge transfer resistance (Rct) of a redox probe diffusing through the polyelectrolyte brush was measured, and the temperature corresponding to the discontinuous change in Rct was identified as Tg. Furthermore, we demonstrate that impedance measurements not only facilitate the estimation of Tg but also enable a reliable evaluation of the transport properties of the polymeric interface, i.e., determination of diffusion coefficients, close to the thermal transition. We consider that this approach bridges the gap between electrochemistry and the traditional tools used in polymer science and offers new opportunities to characterize the thermal behavior of complex polymeric interfaces and macromolecular assemblies.

High-Performance All-Solid-State Na-S Battery Enabled by Casting-Annealing Technology.

Science.gov (United States)

Fan, Xiulin; Yue, Jie; Han, Fudong; Chen, Ji; Deng, Tao; Zhou, Xiuquan; Hou, Singyuk; Wang, Chunsheng

2018-04-24

Room-temperature all-solid-state Na-S batteries (ASNSBs) using sulfide solid electrolytes are a promising next-generation battery technology due to the high energy, enhanced safety, and earth abundant resources of both sodium and sulfur. Currently, the sulfide electrolyte ASNSBs are fabricated by a simple cold-pressing process leaving with high residential stress. Even worse, the large volume change of S/Na 2 S during charge/discharge cycles induces additional stress, seriously weakening the less-contacted interfaces among the solid electrolyte, active materials, and the electron conductive agent that are formed in the cold-pressing process. The high and continuous increase of the interface resistance hindered its practical application. Herein, we significantly reduce the interface resistance and eliminate the residential stress in Na 2 S cathodes by fabricating Na 2 S-Na 3 PS 4 -CMK-3 nanocomposites using melting-casting followed by stress-release annealing-precipitation process. The casting-annealing process guarantees the close contact between the Na 3 PS 4 solid electrolyte and the CMK-3 mesoporous carbon in mixed ionic/electronic conductive matrix, while the in situ precipitated Na 2 S active species from the solid electrolyte during the annealing process guarantees the interfacial contact among these three subcomponents without residential stress, which greatly reduces the interfacial resistance and enhances the electrochemical performance. The in situ synthesized Na 2 S-Na 3 PS 4 -CMK-3 composite cathode delivers a stable and highly reversible capacity of 810 mAh/g at 50 mA/g for 50 cycles at 60 °C. The present casting-annealing strategy should provide opportunities for the advancement of mechanically robust and high-performance next-generation ASNSBs.

Water at Interfaces

DEFF Research Database (Denmark)

Björneholm, Olle; Hansen, Martin Hangaard; Hodgson, Andrew

2016-01-01

The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities, the liquid/solid interface which drives...

Solid Surfaces, Interfaces and Thin Films

CERN Document Server

Lüth, Hans

2010-01-01

This book emphasises both experimental and theoretical aspects of surface, interface and thin film physics. As in previous editions the preparation of surfaces and thin films, their atomic and morphological, their vibronic and electronic properties as well as fundamentals of adsorption are treated. Because of their importance in modern information technology and nanostructure physics particular emphasis is paid to electronic surface and interface states, semiconductor space charge layers and heterostructures as well as to superconductor/semiconductor interfaces and magnetic thin films. The latter topic was significantly extended in this new edition by more details about the giant magnetoresistance and a section about the spin-transfer torque mechanism including one new problem as exercise. Two new panels about Kerr-effect and spin-polarized scanning tunnelling microscopy were added, too. Furthermore, the meanwhile important group III-nitride surfaces and high-k oxide/semiconductor interfaces are shortly discu...

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

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)

Pressure and surface tension of solid-liquid interface using Tara zona density functional theory

International Nuclear Information System (INIS)

Moradi, M.; Kavosh Tehrani, M.

2001-01-01

The weighted density functional theory proposed by Tara zona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this research we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is pitted in three dimensions. We also calculate the pressure and compare it with the Carnahan-Starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation

Electrochemical characterisation of CaCl2 deficient LiCl–KCl–CaCl2 eutectic melt and electro-deoxidation of solid UO2

International Nuclear Information System (INIS)

Sri Maha Vishnu, D.; Sanil, N.; Mohandas, K.S.; Nagarajan, K.

2016-01-01

The CaCl 2 deficient ternary eutectic melt LiCl–KCl–CaCl 2 (50.5: 44.2: 5.3 mol %) was electrochemically characterised by cyclic voltammetry and polarization techniques in the context of its probable use as the electrolyte in the electrochemical reduction of solid UO 2 to uranium metal. Tungsten (cathodic polarization) and graphite (anodic polarization) working electrodes were used in these studies carried out in the temperature range 623 K–923 K. The cathodic limit of the melt was observed to be set by the deposition of Ca 2+ ions followed by Li + ions on the tungsten electrode and the anodic limit by oxidation of chloride ions on the graphite electrode (chlorine evolution). The difference between the onset potential of deposition of Ca 2+ and Li + was found to be 0.241 V at a scan rate of 20 mV/s at 623 K and the difference decreased with increase in temperature and vanished at 923 K. Polarization measurements with stainless steel (SS) cathode and graphite anode at 673 K showed the possibility of low–energy reactions occurring on the UO 2 electrode in the melt. UO 2 pellets were cathodically polarized at 3.9 V for 25 h to test the feasibility of electro-reduction to uranium in the melt. The surface of the pellets was found reduced to U metal. - Highlights: • Electrochemically characterized LiCl–KCl–CaCl 2 (50.5: 44.2: 5.3 mol %) melt by CV, LSV and polarization techniques. • Ca 2+ deposits first on tungsten working electrode followed by Li + . Cl − discharges on graphite to liberate chlorine gas. • Surface of UO 2 pellet reduced to U in the melt with low carbon contamination of melt. • Slow reduction of UO 2 due to slow kinetics and low solubility of oxide ions in the low temperature melt.

Interface-mediated amorphization of coesite by 200 keV electron irradiation

International Nuclear Information System (INIS)

Gong, W.L.; Wang, L.M.; Ewing, R.C.; Xie, H.S.

1997-01-01

Electron-induced amorphization of coesite was studied as a function of irradiation temperature by in situ transmission electron microscopy at an incident energy of 200 keV. Electron-induced amorphization of coesite is induced by an ionization mechanism and is mainly dominated by an interface-mediated, heterogeneous nucleation-and-growth controlled process. Amorphous domains nucleate at surfaces, crystalline-amorphous (c-a) interfaces, and grain boundaries. This is the same process as the interface-mediated vitrification of coesite by isothermal annealing above the thermodynamic melting temperature (875 K), but below the glass transition temperature (1480 K). The interface-mediated amorphization of coesite by electron irradiation is morphologically similar to interface-mediated thermodynamic melting. copyright 1997 American Institute of Physics

Characterization of ion distributions near the surface of sodium-containing and sodium-depleted calcium aluminosilicate glass melts

International Nuclear Information System (INIS)

Corrales, Louis R.; Du, Jincheng

2006-01-01

The distribution of cation and anion components of sodium containing calcium aluminosilicate glass was studied by classical molecular dynamics simulations in a high temperature melt in the bulk and at the vacuum-melt interface. A significant redistribution of the sodium and non-bridging oxygen ions was observed. Subsequently, a sodium depleted calcium aluminosilicate glass melt was simulated to determine the sensitivity of the redistribution of ions near the vacuum-melt interface to the presence of sodium ions. It is found that the thermodynamic equilibrium condition near a surface favors the enrichment of non-bridging oxygen ions that is closely associated with enrichment of the sodium ions

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.

Multi-solid and multi-fluid diffuse interface model: Applications to dynamic fracture and fragmentation

Energy Technology Data Exchange (ETDEWEB)

Ndanou, S., E-mail: serge.ndanou@univ-amu.fr; Favrie, N., E-mail: nicolas.favrie@univ-amu.fr; Gavrilyuk, S., E-mail: sergey.gavrilyuk@univ-amu.fr

2015-08-15

We extend the model of diffuse solid–fluid interfaces developed earlier by authors of this paper to the case of arbitrary number of interacting hyperelastic solids. Plastic transformations of solids are taken into account through a Maxwell type model. The specific energy of each solid is given in separable form: it is the sum of a hydrodynamic part of the energy depending only on the density and the entropy, and an elastic part of the energy which is unaffected by the volume change. It allows us to naturally pass to the fluid description in the limit of vanishing shear modulus. In spite of a large number of governing equations, the model has a quite simple mathematical structure: it is a duplication of a single visco-elastic model. The model is well posed both mathematically and thermodynamically: it is hyperbolic and compatible with the second law of thermodynamics. The resulting model can be applied in the situations involving an arbitrary number of fluids and solids. In particular, we show the ability of the model to describe spallation and penetration phenomena occurring during high velocity impacts.

Alcohol dose dumping: The influence of ethanol on hot-melt extruded pellets comprising solid lipids.

Science.gov (United States)

Jedinger, N; Schrank, S; Mohr, S; Feichtinger, A; Khinast, J; Roblegg, E

2015-05-01

The objective of the present study was to investigate interactions between alcohol and hot-melt extruded pellets and the resulting drug release behavior. The pellets were composed of vegetable calcium stearate as matrix carrier and paracetamol or codeine phosphate as model drugs. Two solid lipids (Compritol® and Precirol®) were incorporated into the matrix to form robust/compact pellets. The drug release characteristics were a strong function of the API solubility, the addition of solid lipids, the dissolution media composition (i.e., alcohol concentration) and correspondingly, the pellet wettability. Pellets comprising paracetamol, which is highly soluble in ethanol, showed alcohol dose dumping regardless of the matrix composition. The wettability increased with increasing ethanol concentrations due to higher paracetamol solubilities yielding increased dissolution rates. For pellets containing codeine phosphate, which has a lower solubility in ethanol than in acidic media, the wettability was a function of the matrix composition. Dose dumping occurred for formulations comprising solid lipids as they showed increased wettabilities with increasing ethanol concentrations. In contrast, pellets comprising calcium stearate as single matrix component showed robustness in alcoholic media due to wettabilities that were not affected by the addition of ethanol. The results clearly indicate that the physico-chemical properties of the drug and the matrix systems are crucial for the design of ethanol-resistant dosage forms. Moreover, hydrophobic calcium stearate can be considered a suitable matrix system that minimizes the risk of ethanol-induced dose dumping for certain API's. Copyright © 2015 Elsevier B.V. All rights reserved.

Interface model conditions for a non-equilibrium heat transfer model for conjugate fluid/porous/solid domains

International Nuclear Information System (INIS)

Betchen, L.J.; Straatman, A.G.

2005-01-01

A mathematical and numerical model for the treatment of conjugate fluid flow and heat transfer problems in domains containing pure fluid, porous, and pure solid regions has been developed. The model is general and physically reasoned, and allows for local thermal non-equilibrium in the porous region. The model is developed for implementation on a simple collocated finite volume grid. Of particular novelty are the conditions implemented at the interfaces between porous regions, and those containing a pure solid or pure fluid. The model is validated by simulation of a three-dimensional porous plug problem for which experimental results are available. (author)

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

ATR-IR spectroscopic cell for in situ studies at solid-liquid interface at elevated temperatures and pressures

NARCIS (Netherlands)

Koichumanova, Kamila; Visan, Aura; Geerdink, Bert; Lammertink, Rob G.H.; Mojet, Barbara; Seshan, Kulathuiyer; Lefferts, Leonardus

2017-01-01

An in situ ATR-IR spectroscopic cell suitable for studies at solid-liquid interface is described including the design and experimental details in continuous flow mode at elevated temperatures (230 °C) and pressures (30 bar). The design parameters considered include the cell geometry, the procedure

Elastic waves at periodically-structured surfaces and interfaces of solids

Directory of Open Access Journals (Sweden)

A. G. Every

2014-12-01

Full Text Available This paper presents a simple treatment of elastic wave scattering at periodically structured surfaces and interfaces of solids, and the existence and nature of surface acoustic waves (SAW and interfacial (IW waves at such structures. Our treatment is embodied in phenomenological models in which the periodicity resides in the boundary conditions. These yield zone folding and band gaps at the boundary of, and within the Brillouin zone. Above the transverse bulk wave threshold, there occur leaky or pseudo-SAW and pseudo-IW, which are attenuated via radiation into the bulk wave continuum. These have a pronounced effect on the transmission and reflection of bulk waves. We provide examples of pseudo-SAW and pseudo-IW for which the coupling to the bulk wave continuum vanishes at isloated points in the dispersion relation. These supersonic guided waves correspond to embedded discrete eigenvalues within a radiation continuum. We stress the generality of the phenomena that are exhibited at widely different scales of length and frequency, and their relevance to situations as diverse as the guiding of seismic waves in mine stopes, the metrology of periodic metal interconnect structures in the semiconductor industry, and elastic wave scattering by an array of coplanar cracks in a solid.

Melting temperature of graphite

International Nuclear Information System (INIS)

Korobenko, V.N.; Savvatimskiy, A.I.

2001-01-01

Full Text: Pulse of electrical current is used for fast heating (∼ 1 μs) of metal and graphite specimens placed in dielectric solid media. Specimen consists of two strips (90 μm in thick) placed together with small gap so they form a black body model. Quasy-monocrystal graphite specimens were used for uniform heating of graphite. Temperature measurements were fulfilled with fast pyrometer and with composite 2-strip black body model up to melting temperature. There were fulfilled experiments with zirconium and tungsten of the same black body construction. Additional temperature measurements of liquid zirconium and liquid tungsten are made. Specific heat capacity (c P ) of liquid zirconium and of liquid tungsten has a common feature in c P diminishing just after melting. It reveals c P diminishing after melting in both cases over the narrow temperature range up to usual values known from steady state measurements. Over the next wide temperature range heat capacity for W (up to 5000 K) and Zr (up to 4100 K) show different dependencies of heat capacity on temperature in liquid state. The experiments confirmed a high quality of 2-strip black body model used for graphite temperature measurements. Melting temperature plateau of tungsten (3690 K) was used for pyrometer calibration area for graphite temperature measurement. As a result, a preliminary value of graphite melting temperature of 4800 K was obtained. (author)

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

Do cracks melt their way through solids?

International Nuclear Information System (INIS)

Okamoto, P. R.

1998-01-01

Real-time, in situ fracture studies in the high-voltage electron microscope (HVEM) show that microscopically thin regions of amorphous NiTi form ahead of moving crack tips in the B2-NiTi intermetallic compound during tensile straining at temperatures equal to or below 600K. The upper cutoff temperature of 600K for this stress-induced melting (or amorphization) is identical to the upper cutoff temperatures reported in the literature for both heavy-ion-induced amorphization of the intermetallic NiTi and ion-beam-mixing-induced amorphization of Ni and Ti multilayer. These results, together with the fact that the higher crystallization temperatures (∼800K)of unrelaxed amorphous NiTi alloys obtained by rapid quenching can also be reduced to, but not lower than 600K, by heavy-ion irradiation, strongly suggest that structural relaxation processes enhanced or induced by dynamic atomic disordering allow the formation of a unique, fully-relaxed glassy state which is characterized by a unique isothermal crystallization temperature. We believe that this unique temperature is the Kauzmann glass-transition temperature, corresponding to the ideal glass having the same entropy as the crystalline state. As the glassy state with the lowest global free energy, the preferential formation of this ideal glass by disorder-induced amorphization processes can be understood as the most energetically-favored, kinetically-constrained melting response of crystalline materials driven far from equilibrium at low temperatures

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.

Solidification interface shape control in a continuous Czochralski silicon growth system

Science.gov (United States)

Wang, Chenlei; Zhang, Hui; Wang, Tihu; Zheng, Lili

2006-01-01

In a continuous Czochralski (CCZ) growth system with a shallow and replenished melt proposed earlier, large-diameter crystals may be grown at a high pull rate and reduced melt convection. The proposed system consists of two heaters. In this paper, the relationship between the solidification interface and the power levels is established. An interface control algorithm is developed to achieve the desired interface shape by adjusting the power level of the bottom heater. The control algorithm is incorporated into an existing process model, and the efficiency of the control algorithm is tested.

Survey of melt interactions with core retention material

International Nuclear Information System (INIS)

Powers, D.A.

1979-01-01

A survey of the interactions of up to 220 kg stainless steel melts at 1973 0 K with the candidate core retention materials borax, firebrick, high alumina cement, and magnesia is described. Data collected for the interactions include rates of material erosion, aerosol generation, gas evolution, and upward heat flux. Borax acts as an ablative solid that rapidly quenches the melt. Firebrick is ablated by the steel melt at a rate of 8.2 x 10 -6 m/s. High alumina cement is found to be an attractive melt retention material especially if it can be used in the unhydrated form. Magnesia is also found to be an attractive material though it can be eroded by the molten oxides of steel

Predicting the co-melting temperatures of municipal solid waste incinerator fly ash and sewage sludge ash using grey model and neural network.

Science.gov (United States)

Pai, Tzu-Yi; Lin, Kae-Long; Shie, Je-Lung; Chang, Tien-Chin; Chen, Bor-Yann

2011-03-01

A grey model (GM) and an artificial neural network (ANN) were employed to predict co-melting temperature of municipal solid waste incinerator (MSWI) fly ash and sewage sludge ash (SSA) during formation of modified slag. The results indicated that in the aspect of model prediction, the mean absolute percentage error (MAPEs) were between 1.69 and 13.20% when adopting seven different GM (1, N) models. The MAPE were 1.59 and 1.31% when GM (1, 1) and rolling grey model (RGM (1, 1)) were adopted. The MAPEs fell within the range of 0.04 and 0.50% using different types of ANN. In GMs, the MAPE of 1.31% was found to be the lowest when using RGM (1, 1) to predict co-melting temperature. This value was higher than those of ANN2-1 to ANN8-1 by 1.27, 1.25, 1.24, 1.18, 1.16, 1.14 and 0.81%, respectively. GM only required a small amount of data (at least four data). Therefore, GM could be applied successfully in predicting the co-melting temperature of MSWI fly ash and SSA when no sufficient information is available. It also indicates that both the composition of MSWI fly ash and SSA could be applied on the prediction of co-melting temperature.

Electrochemical characterisation of CaCl2 deficient LiCl-KCl-CaCl2 eutectic melt and electro-deoxidation of solid UO2

Science.gov (United States)

Sri Maha Vishnu, D.; Sanil, N.; Mohandas, K. S.; Nagarajan, K.

2016-03-01

The CaCl2 deficient ternary eutectic melt LiCl-KCl-CaCl2 (50.5: 44.2: 5.3 mol %) was electrochemically characterised by cyclic voltammetry and polarization techniques in the context of its probable use as the electrolyte in the electrochemical reduction of solid UO2 to uranium metal. Tungsten (cathodic polarization) and graphite (anodic polarization) working electrodes were used in these studies carried out in the temperature range 623 K-923 K. The cathodic limit of the melt was observed to be set by the deposition of Ca2+ ions followed by Li+ ions on the tungsten electrode and the anodic limit by oxidation of chloride ions on the graphite electrode (chlorine evolution). The difference between the onset potential of deposition of Ca2+ and Li+ was found to be 0.241 V at a scan rate of 20 mV/s at 623 K and the difference decreased with increase in temperature and vanished at 923 K. Polarization measurements with stainless steel (SS) cathode and graphite anode at 673 K showed the possibility of low-energy reactions occurring on the UO2 electrode in the melt. UO2 pellets were cathodically polarized at 3.9 V for 25 h to test the feasibility of electro-reduction to uranium in the melt. The surface of the pellets was found reduced to U metal.

Investigation on Melt-Structure-Water Interactions (MSWI) during severe accidents

Energy Technology Data Exchange (ETDEWEB)

Sehgal, B.R.; Yang, Z.L.; Dinh, T.N.; Nourgaliev, R.R.; Bui, V.A.; Haraldsson, H.O.; Li, H.X.; Konovakhin, M.; Paladino, D.; Leung, W.H [Royal Inst. of Tech., Stockholm (Sweden). Div. of Nuclear Power Safety

1999-08-01

This report is the final report for the work performed in 1998 in the research project Melt Structure Water Interactions (MSWI), under the auspices of the APRI Project, jointly funded by SKI, HSK, USNRC and the Swedish and Finnish power companies. The present report describes results of advanced analytical and experimental studies concerning melt-water-structure interactions during the course of a hypothetical severe core meltdown accident in a light water reactor (LWR). Emphasis has been placed on phenomena and properties which govern the fragmentation and breakup of melt jets and droplets, melt spreading and coolability, and thermal and mechanical loadings of a pressure vessel during melt-vessel interaction. Many of the investigations performed in support of this project have produced papers which have been published in the proceedings of technical meetings. A short summary of the results achieved in these papers is provided in this overview. Both experimental and analytical studies were performed to improve knowledge about phenomena of melt-structure-water interactions. We believe that significant technical advances have been achieved during the course of these studies. It was found that: the solidification has a strong effect on the drop deformation and breakup. Initially appearing at the drop surface and, later, thickening inwards, the solid crust layer dampens the instability waves on the drop surface and, therefore, hinders drop deformation and breakup. The drop thermal properties also affect the thermal behavior of the drop and, therefore, have impact on its deformation behavior. The jet fragmentation process is a function of many related phenomena. The fragmentation rate depends not only on the traditional parameters, e.g. the Weber number, but also on the melt physical properties, which change as the melt cools down from the liquidus to the solidus temperature. Additionally, the crust formed on the surface of the melt jet will also reduce the propensity

Investigation on Melt-Structure-Water Interactions (MSWI) during severe accidents

International Nuclear Information System (INIS)

Sehgal, B.R.; Yang, Z.L.; Dinh, T.N.; Nourgaliev, R.R.; Bui, V.A.; Haraldsson, H.O.; Li, H.X.; Konovakhin, M.; Paladino, D.; Leung, W.H

1999-08-01

This report is the final report for the work performed in 1998 in the research project Melt Structure Water Interactions (MSWI), under the auspices of the APRI Project, jointly funded by SKI, HSK, USNRC and the Swedish and Finnish power companies. The present report describes results of advanced analytical and experimental studies concerning melt-water-structure interactions during the course of a hypothetical severe core meltdown accident in a light water reactor (LWR). Emphasis has been placed on phenomena and properties which govern the fragmentation and breakup of melt jets and droplets, melt spreading and coolability, and thermal and mechanical loadings of a pressure vessel during melt-vessel interaction. Many of the investigations performed in support of this project have produced papers which have been published in the proceedings of technical meetings. A short summary of the results achieved in these papers is provided in this overview. Both experimental and analytical studies were performed to improve knowledge about phenomena of melt-structure-water interactions. We believe that significant technical advances have been achieved during the course of these studies. It was found that: the solidification has a strong effect on the drop deformation and breakup. Initially appearing at the drop surface and, later, thickening inwards, the solid crust layer dampens the instability waves on the drop surface and, therefore, hinders drop deformation and breakup. The drop thermal properties also affect the thermal behavior of the drop and, therefore, have impact on its deformation behavior. The jet fragmentation process is a function of many related phenomena. The fragmentation rate depends not only on the traditional parameters, e.g. the Weber number, but also on the melt physical properties, which change as the melt cools down from the liquidus to the solidus temperature. Additionally, the crust formed on the surface of the melt jet will also reduce the propensity

Modeling the impact of melt on seismic properties during mountain building

Science.gov (United States)

Lee, Amicia L.; Walker, Andrew M.; Lloyd, Geoffrey E.; Torvela, Taija

2017-03-01

Initiation of partial melting in the mid/lower crust causes a decrease in P wave and S wave velocities; recent studies imply that the relationship between these velocities and melt is not simple. We have developed a modeling approach to assess the combined impact of various melt and solid phase properties on seismic velocities and anisotropy. The modeling is based on crystallographic preferred orientation (CPO) data measured from migmatite samples, allowing quantification of the variation of seismic velocities with varying melt volumes, shapes, orientations, and matrix anisotropy. The results show nonlinear behavior of seismic properties as a result of the interaction of all of these physical properties, which in turn depend on lithology, stress regime, strain rate, preexisting rock fabrics, and pressure-temperature conditions. This nonlinear behavior is evident when applied to a suite of samples from a traverse across a migmatitic shear zone in the Seiland Igneous Province, Northern Norway. Critically, changes in solid phase composition and CPO, and melt shape and orientation with respect to the wave propagation direction can result in huge variations in the same seismic property even if the melt fraction remains the same. A comparison with surface wave interpretations from tectonically active regions highlights the issues in current models used to predict melt percentages or partially molten regions. Interpretation of seismic data to infer melt percentages or extent of melting should, therefore, always be underpinned by robust modeling of the underlying geological parameters combined with examination of multiple seismic properties in order to reduce uncertainty of the interpretation.

Eutectic and solid-state wafer bonding of silicon with gold

International Nuclear Information System (INIS)

Abouie, Maryam; Liu, Qi; Ivey, Douglas G.

2012-01-01

Highlights: ► Eutectic and solid-state Au-Si bonding are compared for both a-Si and c-Si samples. ► Exchange of a-Si and Au layer was observed in both types of bonded samples. ► Use of c-Si for bonding resulted in formation of craters at the Au/c-Si interface. ► Solid-state Au-Si bonding produces better bonds in terms of microstructure. - Abstract: The simple Au-Si eutectic, which melts at 363 °C, can be used to bond Si wafers. However, faceted craters can form at the Au/Si interface as a result of anisotropic and non-uniform reaction between Au and crystalline silicon (c-Si). These craters may adversely affect active devices on the wafers. Two possible solutions to this problem were investigated in this study. One solution was to use an amorphous silicon layer (a-Si) that was deposited on the c-Si substrate to bond with the Au. The other solution was to use solid-state bonding instead of eutectic bonding, and the wafers were bonded at a temperature (350 °C) below the Au-Si eutectic temperature. The results showed that the a-Si layer prevented the formation of craters and solid-state bonding not only required a lower bonding temperature than eutectic bonding, but also prevented spill out of the solder resulting in strong bonds with high shear strength in comparison with eutectic bonding. Using amorphous silicon, the maximum shear strength for the solid-state Au-Si bond reached 15.2 MPa, whereas for the eutectic Au-Si bond it was 13.2 MPa.

Cooperative ring exchange and quantum melting of vortex lattices in atomic Bose-Einstein condensates

International Nuclear Information System (INIS)

Ghosh, Tarun Kanti; Baskaran, G.

2004-01-01

Cooperative ring exchange is suggested as a mechanism of quantum melting of vortex lattices in a rapidly rotating quasi-two-dimensional atomic Bose-Einstein condensate (BEC). Using an approach pioneered by Kivelson et al. [Phys. Rev. Lett. 56, 873 (1986)] for the fractional quantized Hall effect, we calculate the condition for quantum melting instability by considering large-correlated ring exchanges in a two-dimensional Wigner crystal of vortices in a strong 'pseudomagnetic field' generated by the background superfluid Bose particles. BEC may be profitably used to address issues of quantum melting of a pristine Wigner solid devoid of complications of real solids

Basic research needs and opportunities on interfaces in solar materials

Energy Technology Data Exchange (ETDEWEB)

Czanderna, A. W.; Gottschall, R. J. [eds.

1981-04-01

The workshop on research needs and recommended research programs on interfaces in solar energy conversion devices was held June 30-July 3, 1980. The papers deal mainly with solid-solid, solid-liquid, and solid-gas interfaces, sometimes involving multilayer solid-solid interfaces. They deal mainly with instrumental techniques of studying these interfaces so they can be optimized, so they can be fabricated with quality control and so changes with time can be forecast. The latter is required because a long lifetime (20 yrs is suggested) is necessary for economic reasons. Fifteen papers have been entered individually into EDB and ERA. (LTN)

Trapped Melt in IIIAB Irons: Solid/Liquid Elemental Partitioning During the Fractionation of the IIIAB Magma

Science.gov (United States)

Wasson, John T.

1999-01-01

Group IIIAB, the largest iron-meteorite group, shows compositional trends (including a three-order-of-magnitude It concentration range) indicating that it formed by fractional crystallization of a metallic magma. Because about 200 irons are available, and all degrees of crystallization are well represented, IIIAB offers an excellent set of samples for the study of crystallization at all depths of the asteroidal core. On log-log Ir-Au, and Ir-As diagrams IIIAB forms a broad band; the breadth represents real meteorite-to-meteorite variations, far outside experimental or sampling uncertainties. A successful model must explain the width of this band; I suggest that it mainly resulted from the trapping of parental magma within the crystallizing solid. Because S is essentially insoluble in metal, the abundance of FeS is a measure of the fraction of trapped liquid. The trapped-melt model is supported by the observation that irons having higher S contents plot closer to the inferred composition of the magmatic parental liquid. The lowest S values are found in the irons occupying the left envelope of the IIIAB Ir-Au or Ir-As compositional fields, thus it is this set of irons that should be interpreted as the solid products of a fractionating magma. This simplifies the modeling of the crystallization process and allows inferences regarding the distribution ratios for other elements in the evolved IIIAB system. The large (multiton) Cape York irons show wide variations in their trapped-melt fractions; their compositions seem best understood in terms of a low initial S content of the IIIAB magma, about 20 mg/g. The inferred initial IIIAB distribution coefficient for Ir, 4.6, is much higher than published values based on laboratory studies of low-S systems; I suggest that low-S (and low-P) partition-ratio measurements tend to err in the direction of unity. In IIIAB distribution coefficients for Au, As, and Ni were still < 1 when the most evolved IIIAB irons formed, another

Nanocrystalline solids

International Nuclear Information System (INIS)

Gleiter, H.

1991-01-01

Nanocrystalline solids are polycrystals, the crystal size of which is a few (typically 1 to 10) nanometres so that 50% or more of the solid consists of incoherent interfaces between crystals of different orientations. Solids consisting primarily of internal interfaces represent a separate class of atomic structures because the atomic arrangement formed in the core of an interface is known to be an arrangement of minimum energy in the potential field of the two adjacent crystal lattices with different crystallographic orientations on either side of the boundary core. These boundary conditions result in atomic structures in the interfacial cores which cannot be formed elsewhere (e.g. in glasses or perfect crystals). Nanocrystalline solids are of interest for the following four reasons: (1) Nanocrystalline solids exhibit an atomic structure which differs from that of the two known solid states: the crystalline (with long-range order) and the glassy (with short-range order). (2) The properties of nanocrystalline solids differ (in some cases by several orders of magnitude) from those of glasses and/or crystals with the same chemical composition, which suggests that they may be utilized technologically in the future. (3) Nanocrystalline solids seem to permit the alloying of conventionally immiscible components. (4) If small (1 to 10 nm diameter) solid droplets with a glassy structure are consolidated (instead of small crystals), a new type of glass, called nanoglass, is obtained. Such glasses seem to differ structurally from conventional glasses. (orig.)

Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures

Science.gov (United States)

Los, J. H.; Pellenq, R. J. M.

2010-02-01

We have determined the bulk melting temperature Tm of nickel according to a recent interatomic interaction model via Monte Carlo simulation by two methods: extrapolation from cluster melting temperatures based on the Pavlov model (a variant of the Gibbs-Thompson model) and by calculation of the liquid and solid Gibbs free energies via thermodynamic integration. The result of the latter, which is the most reliable method, gives Tm=2010±35K , to be compared to the experimental value of 1726 K. The cluster extrapolation method, however, gives a 325° higher value of Tm=2335K . This remarkable result is shown to be due to a barrier for melting, which is associated with a nonwetting behavior.

Entangled Polymer Melts in Extensional Flow

DEFF Research Database (Denmark)

Hengeller, Ludovica

Many commercial materials derived from synthetic polymers exhibit a complex response under different processing operations such as fiber formation, injection moulding,film blowing, film casting or coatings. They can be processed both in the solid or in the melted state. Often they may contain two...... or more different polymers in addition to additives, fillers or solvents in order to modify the properties of the final product. Usually, it is also desired to improve the processability. For example the supplement of a high molecular weight component improves the stability in elongational flows....... Understanding the behaviour of polymer melts and solutions in complex non-linearflows is crucial for the design of polymeric materials and polymer processes. Through rheological characterization, in shear and extensional flow, of model polymer systems,i.e. narrow molar mass distribution polymer melts...

Melting of a phase change material in a horizontal annulus with discrete heat sources

Directory of Open Access Journals (Sweden)

Mirzaei Hooshyar

2015-01-01

Full Text Available Phase change materials have found many industrial applications such as cooling of electronic devices and thermal energy storage. This paper investigates numerically the melting process of a phase change material in a two-dimensional horizontal annulus with different arrangements of two discrete heat sources. The sources are positioned on the inner cylinder of the annulus and assumed as constant-temperature boundary conditions. The remaining portion of the inner cylinder wall as well as the outer cylinder wall is considered to be insulated. The emphasis is mainly on the effects of the arrangement of the heat source pair on the fluid flow and heat transfer features. The governing equations are solved on a non-uniform O type mesh using a pressure-based finite volume method with an enthalpy porosity technique to trace the solid and liquid interface. The results are obtained at Ra=104 and presented in terms of streamlines, isotherms, melting phase front, liquid fraction and dimensionless heat flux. It is observed that, depending on the arrangement of heat sources, the liquid fraction increases both linearly and non-linearly with time but will slow down at the end of the melting process. It can also be concluded that proper arrangement of discrete heat sources has the great potential in improving the energy storage system. For instance, the arrangement C3 where the heat sources are located on the bottom part of the inner cylinder wall can expedite the melting process as compared to the other arrangements.

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

Directory of Open Access Journals (Sweden)

Sándor L. Bekö

2014-01-01

Full Text Available 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 of molecular symmetry, and that the three lowest melting points may need to be revised. This prompted a full investigation, with additional experiments on six of the nine inositols. Thirteen new phases were discovered; for all of these their crystal structures were examined. The crystal structures of eight 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. Several previously reported melting points were shown to be solid-to-solid phase transitions or decomposition points. Our experiments have revealed a complex picture of phases, rotator phases and phase transitions, in which a simple correlation between melting points and hydrogen-bonding patterns is not feasible.

Penetration of a heated pool into a melting miscible substrate

International Nuclear Information System (INIS)

Eck, G.; Werle, H.

1986-01-01

Core-catchers have been proposed, which, after a core disruptive accident in a nuclear reactor, prevent containment failure caused by contact of the molten debris with the underlying ex-vessel structural materials. Most of these core-catchers are provided with sacrificial layers which on melting consume some fraction of the decay heat and dilute the heat sources and the fissionable material as the core masses are dissolved by the molten sacrificial material. Dilution of the core masses results in relatively low heat fluxes and temperatures at the wall of the core-catcher and, in addition, reduces the probability of recriticality. An experimental study was conducted on melting systems consisting of a liquid over-lying a solid substrate, which after melting of the solid, are mutually miscible. To initiate melting, the liquid was heated either by a planar heater from above or internally by an ac current. The density of the liquid was varied systematically, and it was found that downward heat transfer increases strongly with this parameter. In addition to heat transfer, mass transfer was studied by measuring the local concentration of the molten material in the liquid. A few experiments were performed in which sideward melting and two-dimensional pool growth were investigated

Numerical simulation of viscoelastic layer rearrangement in polymer melts using OpenFOAM®

Energy Technology Data Exchange (ETDEWEB)

Köpplmayr, Thomas, E-mail: tkoepplmayr@gmail.com; Mayrhofer, Elias [Institute of Polymer Extrusion and Compounding, Johannes Kepler University Linz, Altenberger Str. 69, 4040 Linz (Austria)

2015-05-22

In addition to their shear-thinning behavior, polymer melts are characterized by first and second normal stress differences, which cause secondary motions. Polymer coextrusion processes involve viscoelastic two-phase flows that influence layer formation. Using polymer melts with different pigmentation makes visible the layers deformed by second normal stress differences. We used a new solver for the OpenFOAM CFD toolbox which handles viscoelastic two-phase flows. A derivative of the volume-of-fluid (VoF) methodology was employed to describe the interface. Different types of polymer melt, such as polyethylene (PE), polypropylene (PP) and polyethylene terephthalate (PET) were investigated. In a coextrusion process, the less viscous phase usually tends to encapsulate the more viscous one. However, the different viscoelastic properties of the melts also influence interface deformation. The materials were characterized by small-amplitude oscillatory-shear rheometry, and a multimode Giesekus model was used to fit shear viscosity, storage and loss modulus. Our simulations also took interfacial tension into account. Experimental observations and corresponding numerical simulations were found to be in good accordance.

Numerical simulation of viscoelastic layer rearrangement in polymer melts using OpenFOAM®

International Nuclear Information System (INIS)

Köpplmayr, Thomas; Mayrhofer, Elias

2015-01-01

In addition to their shear-thinning behavior, polymer melts are characterized by first and second normal stress differences, which cause secondary motions. Polymer coextrusion processes involve viscoelastic two-phase flows that influence layer formation. Using polymer melts with different pigmentation makes visible the layers deformed by second normal stress differences. We used a new solver for the OpenFOAM CFD toolbox which handles viscoelastic two-phase flows. A derivative of the volume-of-fluid (VoF) methodology was employed to describe the interface. Different types of polymer melt, such as polyethylene (PE), polypropylene (PP) and polyethylene terephthalate (PET) were investigated. In a coextrusion process, the less viscous phase usually tends to encapsulate the more viscous one. However, the different viscoelastic properties of the melts also influence interface deformation. The materials were characterized by small-amplitude oscillatory-shear rheometry, and a multimode Giesekus model was used to fit shear viscosity, storage and loss modulus. Our simulations also took interfacial tension into account. Experimental observations and corresponding numerical simulations were found to be in good accordance

Numerical Research on Magnetic Field, Temperature Field and Flow Field During Melting and Directionally Solidifying TiAl Alloys by Electromagnetic Cold Crucible

Science.gov (United States)

Chen, Ruirun; Yang, Yaohua; Gong, Xue; Guo, Jingjie; Su, Yanqing; Ding, Hongsheng; Fu, Hengzhi

2017-12-01

The electromagnetic cold crucible (EMCC) technique is an effective method to melt and directionally solidify reactive and high-temperature materials without contamination. The temperature field and fluid flow induced by the electromagnetic field are very important for melting and controlling the microstructure. In this article, a 3D EMCC model for calculating the magnetic field in the charges (TiAl alloys) using the T-Ω finite element method was established and verified. Magnetic fields in the charge under different electrical parameters, positions and dimensions of the charge were calculated and analyzed. The calculated results show that the magnetic field concentrates in the skin layer, and the magnetic flux density ( B) increases with increasing of the frequency, charge diameter and current. The maximum B in the charge is affected by the position of the charge in EMCC ( h 1) and the charge height ( h 2), which emerges at the middle of coils ( h c) when the relationship of h c < h 1 + h 2 < h c + δ is satisfied. Lower frequency and smaller charge diameter can improve the uniformity of the magnetic field in the charge. Consequently, the induced uniform electromagnetic stirring weakens the turbulence and improves temperature uniformity in the vicinity of the solid/liquid (S/L) interface, which is beneficial to forming a planar S/L interface during directional solidification. Based on the above conclusions, the TiAlNb alloy was successfully melted with lower power consumption and directionally solidified by the square EMCC.

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

Advanced methods for incineration of solid, burnable LLW and melting for recycling of scrap metals

International Nuclear Information System (INIS)

Krause, G.; Lorenzen, J.; Lindberg, M.; Olsson, L.; Wirendal, B.

2003-01-01

Radioactive contaminated waste is a great cost factor for nuclear power plants and other nuclear industry. On the deregulated electricity market the price on produced kWh is an important competition tool. Therefore the waste minimisation and volume reduction has given highest priority by many power producers in the process to achieve savings and hence low production cost. Studsvik RadWaste AB in Nykoeping, Sweden, is a company specialised in volume reduction of LLW, as solid combustible waste and as scrap metal for melting and recycling. The treatment facility in Sweden offers this kind of services - together with segmentation and decontamination when necessary - for several customers from Europe, Japan and USA. In addition to these treatment services a whole spectrum of services like transportation, measurement and safeguard, site assistance, industrial cleaning and decontamination in connection with demolition at site is offered from the Studsvik company. (orig.)

Oxidative stress and apoptosis of Carassius auratus lymphocytes induced by nonplanar (PCB153) and coplanar (PCB169) polychlorinated biphenyl congeners in vitro

Institute of Scientific and Technical Information of China (English)

ZHANG Jian-ying; ZHANG Hang-jun; NI Wan-min

2009-01-01

and the coplanar congener was more cytotoxic than nonplanar congener. This study suggests that cytotoxicity mechanisms of the PCB congeners on fish lymphocytes depend on their planarity and chemical structures.

Strain and the optoelectronic properties of nonplanar phosphorene monolayers

Science.gov (United States)

Mehboudi, Mehrshad; Utt, Kainen; Terrones, Humberto; Harriss, Edmund O.; Pacheco SanJuan, Alejandro A.; Barraza-Lopez, Salvador

2015-01-01

Lattice kirigami, ultralight metamaterials, polydisperse aggregates, ceramic nanolattices, and 2D atomic materials share an inherent structural discreteness, and their material properties evolve with their shape. To exemplify the intimate relation among material properties and the local geometry, we explore the properties of phosphorene––a new 2D atomic material––in a conical structure, and document a decrease of the semiconducting gap that is directly linked to its nonplanar shape. This geometrical effect occurs regardless of phosphorene allotrope considered, and it provides a unique optical vehicle to single out local structural defects on this 2D material. We also classify other 2D atomic materials in terms of their crystalline unit cells, and propose means to obtain the local geometry directly from their diverse 2D structures while bypassing common descriptions of shape that are based from a parametric continuum. PMID:25918413

Network topology of olivine-basalt partial melts

Science.gov (United States)

Skemer, Philip; Chaney, Molly M.; Emmerich, Adrienne L.; Miller, Kevin J.; Zhu, Wen-lu

2017-07-01

The microstructural relationship between melt and solid grains in partially molten rocks influences many physical properties, including permeability, rheology, electrical conductivity and seismic wave speeds. In this study, the connectivity of melt networks in the olivine-basalt system is explored using a systematic survey of 3-D X-ray microtomographic data. Experimentally synthesized samples with 2 and 5 vol.% melt are analysed as a series of melt tubules intersecting at nodes. Each node is characterized by a coordination number (CN), which is the number of melt tubules that intersect at that location. Statistically representative volumes are described by coordination number distributions (CND). Polyhedral grains can be packed in many configurations yielding different CNDs, however widely accepted theory predicts that systems with small dihedral angles, such as olivine-basalt, should exhibit a predominant CN of four. In this study, melt objects are identified with CN = 2-8, however more than 50 per cent are CN = 4, providing experimental verification of this theoretical prediction. A conceptual model that considers the role of heterogeneity in local grain size and melt fraction is proposed to explain the formation of nodes with CN ≠ 4. Correctly identifying the melt network topology is essential to understanding the relationship between permeability and porosity, and hence the transport properties of partial molten mantle rocks.

Multivalent-Counterion-Induced Surfactant Multilayer Formation at Hydrophobic and Hydrophilic Solid-Solution Interfaces.

Science.gov (United States)

Penfold, Jeffrey; Thomas, Robert K; Li, Peixun; Xu, Hui; Tucker, Ian M; Petkov, Jordan T; Sivia, Devinderjit S

2015-06-23

Surface multilayer formation from the anionic-nonionic surfactant mixture of sodium dodecyl dioxyethylene sulfate, SLES, and monododecyl dodecaethylene glycol, C12E12, by the addition of multivalent Al(3+) counterions at the solid-solution interface is observed and characterized by neutron reflectivity, NR. The ability to form surface multilayer structures on hydrophobic and hydrophilic silica and cellulose surfaces is demonstrated. The surface multilayer formation is more pronounced and more well developed on the hydrophilic and hydrophobic silica surfaces than on the hydrophilic and hydrophobic cellulose surfaces. The less well developed multilayer formation on the cellulose surfaces is attributed to the greater surface inhomogeneities of the cellulose surface which partially inhibit lateral coherence and growth of the multilayer domains at the surface. The surface multilayer formation is associated with extreme wetting properties and offers the potential for the manipulation of the solid surfaces for enhanced adsorption and control of the wetting behavior.

Kinetics of final stages of spreading of melts on solid surfaces

International Nuclear Information System (INIS)

Khlynov, V.V.; Pastukhov, B.A.; Bokser, Eh.L.

1978-01-01

Kinetics of the spreading of Fe, Ni and Co melts over the surface of W-Re alloy (27% Re) was studied at 1580, 1500 and 1540 deg C, respectively. The time variant wetting spot radius and wetting angle were recorded using a modified Langmuir's method. Kinetic equations of the propagation of liquid interfacial layer and of the wetting, satisfactorily describing the obtained experimental data, have been derived. The melts have been found to spread by viscous flow and by migration atoms in small regions adjacent to the wetting perimeter

Deformation mechanisms and melt nano-structures in experimentally deformed olivine-orthopyroxene rocks with low melt fractions

NARCIS (Netherlands)

Kloe, P.A. de

2001-01-01

The major part of the Earth’s upper mantle is thought to be solid, with some regions in the mantle where the rocks contain a small melt fraction These partially molten rocks are associated with important geological processes such as magma production beneath mid-oceanic ridges and may also play an

Change of manufacturing technique for the W7-X nonplanar coil cases

International Nuclear Information System (INIS)

Gehring, M.; Schaefer, P.; Herrmann, K.D.; Scheller, H.

2001-01-01

The geometry of the coil cases of the nonplanar coil system for the Wendelstein 7-X (W7-X) experiment (Sapper, The superconducting magnet system for the W7-X stellarator. Proceedings 12th Topical Meeting on the Fusion Technology) was changed to a more complex shape compared to the DEMO Coil case (Kronhardt et al., 1998. Proceedings of the 20th SOFT (1998) 731-734). Therefore the manufacturing technique developed for the DEMO Coil case cannot be used for the series production of 50 coils. For the final design of the coil cases, investigations were performed to find a technique suitable for manufacturing the cases within the required geometrical tolerances and mechanical characteristics. In order to qualify the manufacturing technique a complete half case was cast and machined afterwards. The casting procedure was optimised with respect to the geometrical accuracy and the mechanical characteristics at 4.2 K. Measurements of the yield strength, the tensile strength, the elongation, and the Young's modulus were performed at room- and cryo-temperature (4 and 7 K). The influence of the heat treatment, the annealing temperature and the size of the casting on the mechanical values is shown. The requirements on the stainless steel are a yield strength of 800 MPa at 4 K and an elongation at fracture of >25%. The magnetic permeability has to be <1.01. Furthermore the welding properties of the case material were investigated. The development program showed that casting of complete case half shells is a feasible manufacturing technique for the series production of the Wendelstein 7-X nonplanar coil cases

The effects of radiative heat transfer during the melting process of a high temperature phase change material confined in a spherical shell

International Nuclear Information System (INIS)

Archibold, Antonio Ramos; Rahman, Muhammad M.; Yogi Goswami, D.; Stefanakos, Elias K.

2015-01-01

Highlights: • Analyzed effects of radiation heat transfer during melting in spherical shell. • Performed analyses to ascertain the effects of optical thickness and the Planck, Grashof and Stefan numbers. • Present correlations for melt fraction and modified Nusselt number. - Abstract: The influence of radiation heat transfer during the phase change process of a storage material has been numerically analyzed in this study. Emphasis has been placed on the thermal characterization of a single constituent storage module rather than an entire storage system, in order to precisely capture the energy exchange contributions of all the fundamental heat transfer mechanisms during the melting of a phase change material (PCM) with tailored optical properties. The equations describing the conservation of mass, momentum and energy have been solved by using the control volume discretization approach, while the radiative transfer equation (RTE) was solved by the discrete ordinate method (DOM). The enthalpy–porosity method was used to track the PCM liquid/solid interface during the process. A parametric analysis has been performed in order to ascertain the effects of the optical thickness and the Planck, Grashof and Stefan numbers on the melting rate, as well as the total and radiative heat transfer rates at the inner surface of the shell. The results show that the presence of thermal radiation enhances the melting process. Correlations for the melt fraction and modified Nusselt number are developed for application in the design process of packed bed heat exchangers for latent heat thermal energy storage

Experimental and theoretical investigations on temperature distribution at the joint interface for copper joints using ultrasonic welding

Directory of Open Access Journals (Sweden)

Elangovan Sooriya

2014-01-01

Full Text Available Ultrasonic welding is a solid-state joining process that produces joints by the application of high frequency vibratory energy in the work pieces held together under pressure without melting. Copper and its alloys are extensively used in electrical and electronic industry because of its excellent electrical and thermal properties. This paper mainly focused on temperature distribution and the influence of process parameters at the joint interface while joining copper sheets using ultrasonic welding process. Experiments are carried out using Cu sheets (0.2 mm and 0.3 mm thickness and the interface temperature is measured using Data Acquisition (DAQ System (thermocouple and thermal imager. Numerical and finite element based model for temperature distribution at the interface are developed and solved the same using Finite Difference Method (FDM and Finite Element Analysis (FEA. The results obtained from FDM and FEA model shows similar trend with experimental results and are found to be in good agreement.

Effect of Melt Convection and Solid Transport on Macrosegregation and Grain Structure in Equiaxed Al-Cu Alloys

Science.gov (United States)

Rerko, Rodney S.; deGroh, Henry C., III; Beckermann, Christoph; Gray, Hugh R. (Technical Monitor)

2002-01-01

Macrosegregation in metal casting can be caused by thermal and solutal melt convection, and the transport of unattached solid crystals. These free grains can be a result of, for example, nucleation in the bulk liquid or dendrite fragmentation. In an effort to develop a comprehensive numerical model for the casting of alloys, an experimental study has been conducted to generate benchmark data with which such a solidification model could be tested. The specific goal of the experiments was to examine equiaxed solidification in situations where sinking of grains is (and is not) expected. The objectives were: 1) experimentally study the effects of solid transport and thermosolutal convection on macrosegregation and grain size distribution patterns; and 2) provide a complete set of controlled thermal boundary conditions, temperature data, segregation data, and grain size data, to validate numerical codes. The alloys used were Al-1 wt. pct. Cu, and Al-10 wt. pct. Cu with various amounts of the grain refiner TiB2 added. Cylindrical samples were either cooled from the top, or the bottom. Several trends in the data stand out. In attempting to model these experiments, concentrating on experiments that show clear trends or differences is recommended.

Effect of ammonium perchlorate grain sizes on the combustion of solid rocket propellant

Energy Technology Data Exchange (ETDEWEB)

Hegab, A.; Balabel, A. [Menoufia Univ., Menoufia (Egypt). Faculty of Engineering

2007-07-01

The combustion of heterogeneous solid rocket propellant consisting of ammonium perchlorate (AP) particles was discussed with reference to the chemical and physical complexity of the propellant and the microscopic scale of the combustion zone. This study considered the primary flame between the decomposition products of the binder and the AP oxidizer; the primary diffusion flame from the oxidizer; density and conductivity of the AP and binder; temperature-dependent gas-phase transport properties; and, an unsteady non-planer regression surface. Three different random packing disc models for the AP particles imbedded in a matrix of a hydroxyl terminated polybutadience (HTPB) fuel-binder were used as a base of the combustion code. The models have different AP grain sizes and distribution with the fuel binder. A 2D calculation was developed for the combustion of heterogeneous solid propellant, accounting for the gas phase physics, the solid phase physics and an unsteady non-planar description of the regressing propellant surface. The mathematical model described the unsteady burning of a heterogeneous propellant by simultaneously solving the combustion fields in the gas phase and the thermal field in the solid phase with appropriate jump condition across the gas/solid interface. The gas-phase kinetics was represented by a two-step reaction mechanism for the primary premixed flame and the primary diffusion flame between the decomposition products of the HTPB and the oxidizer. The essentially-non-oscillatory (ENO) scheme was used to describe the propagation of the unsteady non-planer regression surface. The results showed that AP particle size has a significant effect on the combustion surface deformation as well as on the burning rate. This study also determined the effect of various parameters on the surface propagation speed, flame structure, and the burning surface geometry. The speed by which the combustion surface recedes was found to depend on the exposed pressure

Solid surfaces, interfaces and thin films

CERN Document Server

Lüth, Hans

2015-01-01

This book emphasises both experimental and theoretical aspects of surface, interface and thin-film physics. As in previous editions the preparation of surfaces and thin films, their atomic and morphological structure, their vibronic and electronic properties as well as fundamentals of adsorption are treated. Because of their importance in modern information technology and nanostructure research, particular emphasis is paid to electronic surface and interface states, semiconductor space charge layers and heterostructures. A special chapter of the book is devoted to collective phenomena at interfaces and in thin films such as superconductivity and magnetism. The latter topic includes the meanwhile important issues giant magnetoresistance and spin-transfer torque mechanism, both effects being of high interest in information technology. In this new edition, for the first time, the effect of spin-orbit coupling on surface states is treated. In this context the class of the recently detected topological insulators,...

X-ray reflectivity measurements of liquid/solid interfaces under high hydrostatic pressure conditions.

Science.gov (United States)

Wirkert, Florian J; Paulus, Michael; Nase, Julia; Möller, Johannes; Kujawski, Simon; Sternemann, Christian; Tolan, Metin

2014-01-01

A high-pressure cell for in situ X-ray reflectivity measurements of liquid/solid interfaces at hydrostatic pressures up to 500 MPa (5 kbar), a pressure regime that is particularly important for the study of protein unfolding, is presented. The original set-up of this hydrostatic high-pressure cell is discussed and its unique properties are demonstrated by the investigation of pressure-induced adsorption of the protein lysozyme onto hydrophobic silicon wafers. The presented results emphasize the enormous potential of X-ray reflectivity studies under high hydrostatic pressure conditions for the in situ investigation of adsorption phenomena in biological systems.

TEM Nanostructural Study of Al-6Si-3Cu-Mg Melt-Spun Ribbons

Directory of Open Access Journals (Sweden)

Ismeli Alfonso López

2008-01-01

Full Text Available Three quaternary Al-6Si-3Cu-xMg (x = 0.59, 3.80, and 6.78 wt.% alloys were produced by melt-spun and characterized using X-ray diffractometry (XRD, transmission electron microscopy (TEM, and microhardness techniques. Obtained second phases were Al2Cu( for the alloy with 0.59% Mg and Al5Cu2Mg8Si6 (Q for the alloys with 3.80 and 6.78% Mg. These phases are present as 30–50 nm or as 5–10 nm nanoparticles. Alloying elements content in solid solution increased, mainly for Si and Mg. The high alloying elements content in solid solution and the small -Al cell size for melt-spun alloys leads to microhardness values about 2 times higher than those of ingot counterparts. The microhardness increase for melt-spun alloys with 3.80 and 6.78% Mg depends on Mg content in solid solution.

Structure, morphology and melting hysteresis of ion-implanted nanocrystals

International Nuclear Information System (INIS)

Andersen, H.H.; Johnson, E.

1995-01-01

Investigations of nanosized metal and semimetal inclusions produced by ion implantation in aluminium are reviewed. The inclusions are from 1 nm to 15 nm in size and contain from 80 to 100,000 atoms. Embedded crystallites, which are topotactically aligned with the surrounding matrix, may not be produced in this size range by any other method. The inclusions offer unique possibilities for study of the influence of interfaces on the crystal structure of the inclusions as well as on their melting and solidification behaviour. Studies are made with transmission electron microscopy (TEM), electron- and x-ray diffraction and in situ RBS- channeling measurements. Bi, Cd, In, Pb and Tl inclusions all show a substantial melting/solidification temperature hysteresis, which, in all cases except for Bi, is placed around the bulk melting temperature, while bismuth melts below that temperature. (au) 46 refs

Experimental investigation of ice and snow melting process on pavement utilizing geothermal tail water

International Nuclear Information System (INIS)

Wang Huajun; Zhao Jun; Chen Zhihao

2008-01-01

Road ice and snow melting based on low temperature geothermal tail water is of significance to realize energy cascading utilization. A small scale ice and snow melting system is built in this work. Experiments of dynamic melting processes of crushed ice, solid ice, artificial snow and natural snow are conducted on concrete pavement. The results show that the melting process of ice and snow includes three phases: a starting period, a linear period and an accelerated period. The critical value of the snow free area ratio between the linear period and the accelerated period is about 0.6. The physical properties of ice and snow, linked with ambient conditions, have an obvious effect on the melting process. The difference of melting velocity and melting time between ice and snow is compared. To reduce energy consumption, the formation of ice on roads should be avoided if possible. The idling process is an effective pathway to improve the performance of melting systems. It is feasible to utilize geothermal tail water of about 40 deg. C for melting ice and snow on winter roads, and it is unnecessary to keep too high fluid temperatures during the practical design and applications. Besides, with the exception of solid ice, the density and porosity of snow and ice tend to be decreasing and increasing, respectively, as the ambient temperature decreases

Quantum switching of π-electron rotations in a nonplanar chiral molecule by using linearly polarized UV laser pulses.

Science.gov (United States)

Mineo, Hirobumi; Yamaki, Masahiro; Teranishi, Yoshiaki; Hayashi, Michitoshi; Lin, Sheng Hsien; Fujimura, Yuichi

2012-09-05

Nonplanar chiral aromatic molecules are candidates for use as building blocks of multidimensional switching devices because the π electrons can generate ring currents with a variety of directions. We employed (P)-2,2'-biphenol because four patterns of π-electron rotations along the two phenol rings are possible and theoretically determine how quantum switching of the π-electron rotations can be realized. We found that each rotational pattern can be driven by a coherent excitation of two electronic states under two conditions: one is the symmetry of the electronic states and the other is their relative phase. On the basis of the results of quantum dynamics simulations, we propose a quantum control method for sequential switching among the four rotational patterns that can be performed by using ultrashort overlapped pump and dump pulses with properly selected relative phases and photon polarization directions. The results serve as a theoretical basis for the design of confined ultrafast switching of ring currents of nonplanar molecules and further current-induced magnetic fluxes of more sophisticated systems.

Ultrafast Melting of Carbon Induced by Intense Proton Beams

International Nuclear Information System (INIS)

Pelka, A.; Guenther, M. M.; Harres, K.; Otten, A.; Roth, M.; Gregori, G.; Gericke, D. O.; Vorberger, J.; Glenzer, S. H.; Kritcher, A. L.; Heathcote, R.; Li, B.; Neely, D.; Kugland, N. L.; Niemann, C.; Makita, M.; Riley, D.; Mithen, J.; Schaumann, G.; Schollmeier, M.

2010-01-01

Laser-produced proton beams have been used to achieve ultrafast volumetric heating of carbon samples at solid density. The isochoric melting of carbon was probed by a scattering of x rays from a secondary laser-produced plasma. From the scattering signal, we have deduced the fraction of the material that was melted by the inhomogeneous heating. The results are compared to different theoretical approaches for the equation of state which suggests modifications from standard models.

Commissioning of a continuous melt densification system for plastic waste. Contributed Paper PE-05

International Nuclear Information System (INIS)

Anji Reddy, D.; Chennakeshavalu, G.; Ramesh Babu, B.; Subba Rao, V.; Coelho, G.J.M.; Rao, S.V.S.; Paul, Biplob

2014-01-01

Volume reduction of radioactive solid wastes is carried out with an aim to maximize the utilization of disposal space. Cellulosic combustible solid wastes like cotton, paper etc. are treated by incineration and the plastic wastes are volume reduced by baling. Compaction of plastic wastes gives volume reduction factors in the range of 3 to 5. With a view to achieve higher volume reduction factors, a melt-densification process was developed indigenously at CWMF for reducing the volume of plastic wastes before disposal. Based on laboratory results, a pilot plant scale batch Melt Densification Unit was designed and operated. 120 M 3 of Category-I polythene waste was melted and the Volume Reduction Factors (VRF) obtained were up to 20. To meet the future needs and increasing the throughput, a continues-feed, PLC controlled, advanced Melt Densification System was commissioned recently. (author)

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

Nanopatterning of tools for replication of non-planar polymer surfaces

DEFF Research Database (Denmark)

Cech, Jiri

in the order of expected lifetime in descending order: aluminum, titanium, and nickel. The second problem addressed is the forming of a nanostructured surface on a non-planar substrate. We used the hydrostatic nanoimprinting technique, with the HSQ films deposited by spin-coating and spray-coating methods...... with nanostructured surfaces, we need to fabricate molds facing the same problem. In this work, we address this problem. At first, we need to verify if the previously reported monolayer adhesion-reducing coating (FDTS) can be used under different conditions during actual injection molding. Such coatings are critical...... to facilitate de-molding of the nanopatterned parts. We analyzed the coated surfaces of aluminum, titanium, and nickel molds before and after 500 molding cycles, using X-ray photoelectron spectroscopy, AFM and contact angle measurements. We show that the contact angle and that the fluorine concentration...

Sodium-cutting: a new top-down approach to cut open nanostructures on nonplanar surfaces on a large scale.

Science.gov (United States)

Chen, Wei; Deng, Da

2014-11-11

We report a new, low-cost and simple top-down approach, "sodium-cutting", to cut and open nanostructures deposited on a nonplanar surface on a large scale. The feasibility of sodium-cutting was demonstrated with the successfully cutting open of ∼100% carbon nanospheres into nanobowls on a large scale from Sn@C nanospheres for the first time.

An Interconnected Network of Core-Forming Melts Produced by Shear Deformation

Science.gov (United States)

Bruhn, D.; Groebner, N.; Kohlstedt, D. L.

2000-01-01

The formation mechanism of terrestrial planetary is still poorly understood, and has been the subject of numerous experimental studies. Several mechanisms have been proposed by which metal-mainly iron with some nickel-could have been extracted from a silicate mantle to form the core. Most recent models involve gravitational sinking of molten metal or metal sulphide through a partially or fully molten mantle that is often referred to as a'magma ocean. Alternative models invoke percolation of molten metal along an interconnected network (that is, porous flow) through a solid silicate matrix. But experimental studies performed at high pressures have shown that, under hydrostatic conditions, these melts do not form an interconnected network, leading to the widespread assumption that formation of metallic cores requires a magma ocean. In contrast, here we present experiments which demonstrate that shear deformation to large strains can interconnect a significant fraction of initially isolated pockets of metal and metal sulphide melts in a solid matrix of polycrystalline olivine. Therefore, in a dynamic (nonhydrostatic) environment, percolation remains a viable mechanism for the segregation and migration of core-forming melts in a solid silicate mantle.

Hot melt extrusion versus spray drying: hot melt extrusion degrades albendazole.

Science.gov (United States)

Hengsawas Surasarang, Soraya; Keen, Justin M; Huang, Siyuan; Zhang, Feng; McGinity, James W; Williams, Robert O

2017-05-01

The purpose of this study was to enhance the dissolution properties of albendazole (ABZ) by the use of amorphous solid dispersions. Phase diagrams of ABZ-polymer binary mixtures generated from Flory-Huggins theory were used to assess miscibility and processability. Forced degradation studies showed that ABZ degraded upon exposure to hydrogen peroxide and 1 N NaOH at 80 °C for 5 min, and the degradants were albendazole sulfoxide (ABZSX), and ABZ impurity A, respectively. ABZ was chemically stable following exposure to 1 N HCl at 80 °C for one hour. Thermal degradation profiles show that ABZ, with and without Kollidon ® VA 64, degraded at 180 °C and 140 °C, respectively, which indicated that ABZ could likely be processed by thermal processing. Following hot melt extrusion, ABZ degraded up to 97.4%, while the amorphous ABZ solid dispersion was successfully prepared by spray drying. Spray-dried ABZ formulations using various types of acids (methanesulfonic acid, sulfuric acid and hydrochloric acid) and polymers (Kollidon ® VA 64, Soluplus ® and Eudragit ® E PO) were studied. The spray-dried ABZ with methanesulfonic acid and Kollidon ® VA 64 substantially improved non-sink dissolution in acidic media as compared to bulk ABZ (8-fold), physical mixture of ABZ:Kollidon ® VA 64 (5.6-fold) and ABZ mesylate salt (1.6-fold). No degradation was observed in the spray-dried product for up to six months and less than 5% after one-year storage. In conclusion, amorphous ABZ solid dispersions in combination with an acid and polymer can be prepared by spray drying to enhance dissolution and shelf-stability, whereas those made by melt extrusion are degraded.

Investigating the vortex melting phenomenon in BSCCO crystals ...

Indian Academy of Sciences (India)

reveal complex patterns in the formation and evolution of the vortex solid–liquid interface ... images of the melting process in a BSCCO crystal (Tc =90 K) of area 0.35×0.27 mm2 .... For example, at 20 Oe the valley in the form of an arc along.

In Situ Adsorption Studies at the Solid/Liquid Interface: Characterization of Biological Surfaces and Interfaces Using Sum Frequency Generation Vibrational Spectroscopy, Atomic Force Microscopy, and Quartz Crystal Microbalance

International Nuclear Information System (INIS)

Phillips, D.C.

2006-01-01

Sum frequency generation (SFG) vibrational spectroscopy, atomic force microscopy (AFM), and quartz crystal microbalance (QCM) have been used to study the molecular surface structure, surface topography and mechanical properties, and quantitative adsorbed amount of biological molecules at the solid-liquid interface. The molecular-level behavior of designed peptides adsorbed on hydrophobic polystyrene and hydrophilic silica substrates has been examined as a model of protein adsorption on polymeric biomaterial surfaces. Proteins are such large and complex molecules that it is difficult to identify the features in their structure that lead to adsorption and interaction with solid surfaces. Designed peptides which possess secondary structure provide simple model systems for understanding protein adsorption. Depending on the amino acid sequence of a peptide, different secondary structures (α-helix and β-sheet) can be induced at apolar (air/liquid or air/solid) interfaces. Having a well-defined secondary structure allows experiments to be carried out under controlled conditions, where it is possible to investigate the affects of peptide amino acid sequence and chain length, concentration, buffering effects, etc. on adsorbed peptide structure. The experiments presented in this dissertation demonstrate that SFG vibrational spectroscopy can be used to directly probe the interaction of adsorbing biomolecules with a surface or interface. The use of well designed model systems aided in isolation of the SFG signal of the adsorbing species, and showed that surface functional groups of the substrate are sensitive to surface adsorbates. The complementary techniques of AFM and QCM allowed for deconvolution of the effects of surface topography and coverage from the observed SFG spectra. Initial studies of biologically relevant surfaces are also presented: SFG spectroscopy was used to study the surface composition of common soil bacteria for use in bioremediation of nuclear waste

In Situ Adsorption Studies at the Solid/Liquid Interface:Characterization of Biological Surfaces and Interfaces Using SumFrequency Generation Vibrational Spectroscopy, Atomic Force Microscopy,and Quartz Crystal Microbalance

Energy Technology Data Exchange (ETDEWEB)

Phillips, Diana Christine [Univ. of California, Berkeley, CA (United States)

2006-01-01

Sum frequency generation (SFG) vibrational spectroscopy, atomic force microscopy (AFM), and quartz crystal microbalance (QCM) have been used to study the molecular surface structure, surface topography and mechanical properties, and quantitative adsorbed amount of biological molecules at the solid-liquid interface. The molecular-level behavior of designed peptides adsorbed on hydrophobic polystyrene and hydrophilic silica substrates has been examined as a model of protein adsorption on polymeric biomaterial surfaces. Proteins are such large and complex molecules that it is difficult to identify the features in their structure that lead to adsorption and interaction with solid surfaces. Designed peptides which possess secondary structure provide simple model systems for understanding protein adsorption. Depending on the amino acid sequence of a peptide, different secondary structures (α-helix and β-sheet) can be induced at apolar (air/liquid or air/solid) interfaces. Having a well-defined secondary structure allows experiments to be carried out under controlled conditions, where it is possible to investigate the affects of peptide amino acid sequence and chain length, concentration, buffering effects, etc. on adsorbed peptide structure. The experiments presented in this dissertation demonstrate that SFG vibrational spectroscopy can be used to directly probe the interaction of adsorbing biomolecules with a surface or interface. The use of well designed model systems aided in isolation of the SFG signal of the adsorbing species, and showed that surface functional groups of the substrate are sensitive to surface adsorbates. The complementary techniques of AFM and QCM allowed for deconvolution of the effects of surface topography and coverage from the observed SFG spectra. Initial studies of biologically relevant surfaces are also presented: SFG spectroscopy was used to study the surface composition of common soil bacteria for use in bioremediation of nuclear waste.

Influence of gravitational and vibrational convection on the heat- and mass transfer in the melt during crystal growing by Bridgman and floating zone methods

Science.gov (United States)

Fedorov, Oleg

2016-07-01

crystallization front in both methods of obtaining crystals. When alternating vibration exposure and low frequency vibration Rayleigh-Taylor instability in melt flow occurred when using Bridgman method. The same conditions in the floating zone method are characterized by steady melt flow and the effects of vibration are reduced only to change the direction of melt flow. Low sensitivity to the Rayleigh-Taylor instability is due to the symmetry of the temperature field of the melt along the axial coordinate. The results on melt flow patterns for both methods of crystal growing are discussed jointly with consideration on morphological stability conditions for solid-melt interface under different flow velocities along the interface.

Massive planar and non-planar double box integrals for light N f contributions to

Science.gov (United States)

von Manteuffel, Andreas; Studerus, Cedric

2013-10-01

We present the master integrals needed for the light fermionic two-loop corrections to top quark pair production in the gluon fusion channel. Via the method of differential equations we compute the results in terms of multiple polylogarithms in a Laurent series about d = 4, where d is the space-time dimension. The most involved topology is a non-planar double box with one internal mass. We employ the coproduct-augmented symbol calculus and show that significant simplifications are possible for selected results using an optimised set of multiple polylogarithms.

Multicomponent Diffusion in Experimentally Cooled Melt Inclusions

Science.gov (United States)

Saper, L.; Stolper, E.

2017-12-01

Glassy olivine-hosted melt inclusions are compositionally zoned, characterized by a boundary layer depleted in olivine-compatible components that extends into the melt inclusion from its wall. The boundary layer forms in response to crystallization of olivine and relaxes with time due to diffusive exchange with the interior of the inclusion. At magmatic temperatures, the time scale for homogenization of inclusions is minutes to hours. Preservation of compositional gradients in natural inclusions results from rapid cooling upon eruption. A model of MgO concentration profiles that couples crystal growth and diffusive relaxation of a boundary layer can be used to solve for eruptive cooling rates [1]. Controlled cooling-rate experiments were conducted to test the accuracy of the model. Mauna Loa olivine containing >80 µm melt inclusions were equilibrated at 1225°C in a 1-atm furnace for 24 hours, followed by linear cooling at rates of 102 - 105 °C/hr. High-resolution concentration profiles of 40 inclusions were obtained using an electron microprobe. The model of [1] fits the experimental data with low residuals and the best-fit cooling rates are within 30% of experimental values. The initial temperature of 1225 °C is underestimated by 65°C. The model was modified using (i) MELTS to calculate the interface melt composition as a function of temperature, and (ii) a concentration-dependent MgO diffusion coefficient using the functional form of [2]. With this calibration the best-fit starting temperatures are within 5°C of the experimental values and the best-fit cooling rates are within 20% of experimental rates. The evolution of the CaO profile during cooling is evidence for strong diffusive coupling between melt components. Because CaO is incompatible in olivine, CaO concentrations are expected to be elevated in the boundary layer adjacent to the growing olivine. Although this is observed at short time scales, as the profile evolves the CaO concentration near the

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.

Premature melt solidification during mold filling and its influence on the as-cast structure

Science.gov (United States)

Wu, M.; Ahmadein, M.; Ludwig, A.

2018-03-01

Premature melt solidification is the solidification of a melt during mold filling. In this study, a numerical model is used to analyze the influence of the pouring process on the premature solidification. The numerical model considers three phases, namely, air, melt, and equiaxed crystals. The crystals are assumed to have originated from the heterogeneous nucleation in the undercooled melt resulting from the first contact of the melt with the cold mold during pouring. The transport of the crystals by the melt flow, in accordance with the socalled "big bang" theory, is considered. The crystals are assumed globular in morphology and capable of growing according to the local constitutional undercooling. These crystals can also be remelted by mixing with the superheated melt. As the modeling results, the evolutionary trends of the number density of the crystals and the volume fraction of the solid crystals in the melt during pouring are presented. The calculated number density of the crystals and the volume fraction of the solid crystals in the melt at the end of pouring are used as the initial conditions for the subsequent solidification simulation of the evolution of the as-cast structure. A five-phase volume-average model for mixed columnar-equiaxed solidification is used for the solidification simulation. An improved agreement between the simulation and experimental results is achieved by considering the effect of premature melt solidification during mold filling. Finally, the influences of pouring parameters, namely, pouring temperature, initial mold temperature, and pouring rate, on the premature melt solidification are discussed.

Micro-scale prediction method for API-solubility in polymeric matrices and process model for forming amorphous solid dispersion by hot-melt extrusion.

Science.gov (United States)

Bochmann, Esther S; Neumann, Dirk; Gryczke, Andreas; Wagner, Karl G

2016-10-01

A new predictive micro-scale solubility and process model for amorphous solid dispersions (ASDs) by hot-melt extrusion (HME) is presented. It is based on DSC measurements consisting of an annealing step and a subsequent analysis of the glass transition temperature (Tg). The application of a complex mathematical model (BCKV-equation) to describe the dependency of Tg on the active pharmaceutical ingredient (API)/polymer ratio, enables the prediction of API solubility at ambient conditions (25°C). Furthermore, estimation of the minimal processing temperature for forming ASDs during HME trials could be defined and was additionally confirmed by X-ray powder diffraction data. The suitability of the DSC method was confirmed with melt rheological trials (small amplitude oscillatory system). As an example, ball milled physical mixtures of dipyridamole, indomethacin, itraconazole and nifedipine in poly(vinylpyrrolidone-co-vinylacetate) (copovidone) and polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft copolymer (Soluplus®) were used. Copyright © 2016 Elsevier B.V. All rights reserved.

Effective mass of liquid 3He using the melting curve data

International Nuclear Information System (INIS)

Chaddah, P.; Simmons, R.O.; Illinois Univ., Urbana

1980-01-01

Measurements of dp/dt and of the liquid and solid molar volumes along the melting curve of 3 He can be used to obtain information about the Fermi liquid parameter Esub(f) = p 2 sub(f)/2m* of liquid 3 He. Data at temperatures reasonably far above the Neel temperature of the solid, but low enough so that the first finite-temperature correction term in Fermi liquid theory is not large are used. It is shown that in spite of uncertainties in the solid 3 He entropy because of uncertainties in the knowledge of the exchange mechanism, the melting curve data provide a check on the different sets of values for m* quoted in literature. The possible effect of ground state vacancies, whose existence in BCC 3 He has been speculated on this analysis is also discussed. (author)

Oscillatory convection in low aspect ratio Czochralski melts

Science.gov (United States)

Anselmo, A.; Prasad, V.; Koziol, J.; Gupta, K. P.

1993-11-01

Modeling of the crucible in bulk crystal growth simulations as a right circular cylinder may be adequate for high aspect ratio melts but this may be unrealistic when the melt height is low. Low melt height is a unique feature of a solid feed continuous Czochralski growth process for silicon single crystals currently under investigation. At low melt heights, the crucible bottom curvature has a dampening effect on the buoyancy-induced oscillations, a source of inhomogeneities in the grown crystal. The numerical results demonstrate how the mode of convection changes from vertical wall-dominated recirculating flows to Benard convection as the aspect ratio is lowered. This phenomenon is strongly dependent on the boundary condition at the free surface of the melt, which has been generally considered to be either adiabatic or radiatively cooled. A comparison of the flow oscillations in crucibles with and without curved bottoms at aspect ratios in the range of 0.25 to 0.50, and at realistic Grashof numbers (10 7 < Gr < 10 8) illustrate that changing the shape of the crucible may be an effective means of suppressing oscillations and controlling the melt flow.

A porous flow approach to model thermal non-equilibrium applicable to melt migration

Science.gov (United States)

Schmeling, Harro; Marquart, Gabriele; Grebe, Michael

2018-01-01

We develop an approach for heat exchange between a fluid and a solid phase of a porous medium where the temperatures of the fluid and matrix are not in thermal equilibrium. The formulation considers moving of the fluid within a resting or deforming porous matrix in an Eulerian coordinate system. The approach can be applied, for example, to partially molten systems or to brine transport in porous rocks. We start from an existing theory for heat exchange where the energy conservation equations for the fluid and the solid phases are separated and coupled by a heat exchange term. This term is extended to account for the full history of heat exchange. It depends on the microscopic geometry of the fluid phase. For the case of solid containing hot, fluid-filled channels, we derive an expression based on a time-dependent Fourier approach for periodic half-waves. On the macroscopic scale, the temporal evolution of the heat exchange leads to a convolution integral along the flow path of the solid, which simplifies considerably in case of a resting matrix. The evolution of the temperature in both phases with time is derived by inserting the heat exchange term into the energy equations. We explore the effects of thermal non-equilibrium between fluid and solid by considering simple cases with sudden temperature differences between fluid and solid as initial or boundary conditions, and by varying the fluid velocity with respect to the resting porous solid. Our results agree well with an analytical solution for non-moving fluid and solid. The temperature difference between solid and fluid depends on the Peclet number based on the Darcy velocity. For Peclet numbers larger than 1, the temperature difference after one diffusion time reaches 5 per cent of \\tilde{T} or more (\\tilde{T} is a scaling temperature, e.g. the initial temperature difference). Thus, our results imply that thermal non-equilibrium can play an important role for melt migration through partially molten systems

A high pressure x-ray photoelectron spectroscopy experimental method for characterization of solid-liquid interfaces demonstrated with a Li-ion battery system

Energy Technology Data Exchange (ETDEWEB)

Maibach, Julia; Xu, Chao; Gustafsson, Torbjörn; Edström, Kristina [Department of Chemistry–Ångström Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Eriksson, Susanna K. [Department of Chemistry–Ångström Laboratory, Uppsala University, Box 523, SE-751 20 Uppsala (Sweden); Åhlund, John [VG Scienta AB, Box 15120, SE-750 15 Uppsala (Sweden); Siegbahn, Hans; Rensmo, Håkan; Hahlin, Maria, E-mail: maria.hahlin@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden)

2015-04-15

We report a methodology for a direct investigation of the solid/liquid interface using high pressure x-ray photoelectron spectroscopy (HPXPS). The technique was demonstrated with an electrochemical system represented by a Li-ion battery using a silicon electrode and a liquid electrolyte of LiClO{sub 4} in propylene carbonate (PC) cycled versus metallic lithium. For the first time the presence of a liquid electrolyte was realized using a transfer procedure where the sample was introduced into a 2 mbar N{sub 2} environment in the analysis chamber without an intermediate ultrahigh vacuum (UHV) step in the load lock. The procedure was characterized in detail concerning lateral drop gradients as well as stability of measurement conditions over time. The X-ray photoelectron spectroscopy (XPS) measurements demonstrate that the solid substrate and the liquid electrolyte can be observed simultaneously. The results show that the solid electrolyte interphase (SEI) composition for the wet electrode is stable within the probing time and generally agrees well with traditional UHV studies. Since the methodology can easily be adjusted to various high pressure photoelectron spectroscopy systems, extending the approach towards operando solid/liquid interface studies using liquid electrolytes seems now feasible.

The study for management process of radioactive solid waste

Energy Technology Data Exchange (ETDEWEB)

Nakayama, Jumpei; Sugimoto, Masahiko [Energy and Nuclear System Center, Engineering Company, Kobe Steel Ltd., Osaka (Japan)

1999-12-01

For the purpose of contributing to decide treatment method for solid waste stored by JNC, a series of investigation was conducted for domestic and overseas technologies about volume-reduction and immobilization of radioactive solid waste, focused on the melting technologies. Based on the result of investigation, melting and off-gas treatment were classified and summarized based on the result of investigation. Treatment and disposal cost for each melting method were estimated under definite conditions. Followings are obtained: (1) Melters for radioactive metal have been in operation since 1980's. On the other hand, melter for solid waste is under construction in Japan and Switzerland, never in operation. (2) Plasma arc melter and induction heat melter is developed for radioactive solid waste. They are classified into 5 method since there are 4 induction heat melter is developed. (3) Construction cost for each kind of melter are about 700-950 million yen, estimated by using open melting capacity and cost ratio of existing facility. (4) Volume of the molten waste to be filled up per disposal container, supposing 200 liter drum about 70-140 liter depends on the volume of receptacle and sub-heat material. Decision of the melter need detailed estimation of filling factor since they have large effects on disposal cost. (5) For adopting radioactive solid waste melter, it needs to estimate of melting capacity taking consideration into wide range composition of the JNC waste. In addition, it is necessary to develop estimating method of inventory for JNC waste since radioactivity composition is differ from that of nuclear power station. (author)

230Th-238U disequilibrium and the melting processes beneath ridge axes

International Nuclear Information System (INIS)

McKenzie, D.

1985-01-01

The activity ratio ( 230 Th/ 238 U) is calculated for a simple model of melting, for which the melt fraction in chemical and radioactive equilibrium with the solid residium remains constant as melting proceeds. The activity ratio in the melt is only significantly different from unity if the melting is slow compared with the half-life of 230 Th and if the melt fraction present at any time does not exceed a few percent. The observation that ( 230 Th/ 238 U) is about 1.25 for many ocean ridge basalts is therefore most easily explained if the melt fraction in the source region is less than 2% and if the melting occurs in a broad region more than 100 km wide beneath the ridge axis. These results are compatible with other geophysical observations. Measurements of ( 226 Ra/ 238 U) might provide useful constraints on the time required to reach chemical equilibrium between the melt and the matrix. (orig.)

Melting diagram of hydrogen-deuterium solutions for pressures up to 100 atm

International Nuclear Information System (INIS)

Bereznyak, N.G.; Sheinina, A.A.

1985-01-01

Curves of the onset of melting of hydrogen-deuterium solutions of three different concentrations versus the vapor pressure up to ∼140 atm are measured. The topology of the melting diagram of H 2 --D 2 solutions at elevated pressures is determined. The isotope separation coefficients between the liquid and solid phases are calculated

Electrochemical characterisation of CaCl{sub 2} deficient LiCl–KCl–CaCl{sub 2} eutectic melt and electro-deoxidation of solid UO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Sri Maha Vishnu, D., E-mail: smvd2@cam.ac.uk; Sanil, N.; Mohandas, K.S.; Nagarajan, K.

2016-03-15

The CaCl{sub 2} deficient ternary eutectic melt LiCl–KCl–CaCl{sub 2} (50.5: 44.2: 5.3 mol %) was electrochemically characterised by cyclic voltammetry and polarization techniques in the context of its probable use as the electrolyte in the electrochemical reduction of solid UO{sub 2} to uranium metal. Tungsten (cathodic polarization) and graphite (anodic polarization) working electrodes were used in these studies carried out in the temperature range 623 K–923 K. The cathodic limit of the melt was observed to be set by the deposition of Ca{sup 2+} ions followed by Li{sup +} ions on the tungsten electrode and the anodic limit by oxidation of chloride ions on the graphite electrode (chlorine evolution). The difference between the onset potential of deposition of Ca{sup 2+} and Li{sup +} was found to be 0.241 V at a scan rate of 20 mV/s at 623 K and the difference decreased with increase in temperature and vanished at 923 K. Polarization measurements with stainless steel (SS) cathode and graphite anode at 673 K showed the possibility of low–energy reactions occurring on the UO{sub 2} electrode in the melt. UO{sub 2} pellets were cathodically polarized at 3.9 V for 25 h to test the feasibility of electro-reduction to uranium in the melt. The surface of the pellets was found reduced to U metal. - Highlights: • Electrochemically characterized LiCl–KCl–CaCl{sub 2} (50.5: 44.2: 5.3 mol %) melt by CV, LSV and polarization techniques. • Ca{sup 2+} deposits first on tungsten working electrode followed by Li{sup +}. Cl{sup −} discharges on graphite to liberate chlorine gas. • Surface of UO{sub 2} pellet reduced to U in the melt with low carbon contamination of melt. • Slow reduction of UO{sub 2} due to slow kinetics and low solubility of oxide ions in the low temperature melt.

Role of crucible partition in improving Czochralski melt conditions

Science.gov (United States)

Jafri, I. H.; Prasad, V.; Anselmo, A. P.; Gupta, K. P.

1995-09-01

Many of the inhomogeneities and defects in the crystal grown from a pool of melt are because of the inherent unsteady growth kinetics and flow instabilities of the process. A scaled up version of the Czochralski process induces oscillatory and turbulent conditions in the melt, thereby resulting in the production of non-uniform silicon crystals. This numerical study reveals that a crucible partition shorter than the melt height can significantly improve the melt conditions. The obstruction at the bottom of the crucible is helpful but the variations in heat flux and flow patterns remain random. However, when the obstruction is introduced at the top of the melt, the flow conditions become much more desirable and oscillations are greatly suppressed. It is also found that a full-melt height partition or a double-crucible may not be a good choice. An optimal size of the blockage and its location to produce the most desirable process conditions will depend on the growth parameters including the melt height and the crucible diameter. These findings should be particularly useful in designing a solid polysilicon pellets-feed continuous Czochralski process for Si crystals.

Conformal, planarizing and bridging AZ5214-E layers deposited by a 'draping' technique on non-planar III V substrates

Science.gov (United States)

Eliás, P.; Strichovanec, P.; Kostic, I.; Novák, J.

2006-12-01

A draping technique was tested for the deposition of positive-tone AZ5214-E photo-resist layers on non-planar (1 0 0)-oriented III-V substrates, which had a variety of three-dimensional (3D) topographies micromachined in them that consisted, e.g., of mesa ridges confined to side facets with variable tilt, inverted pyramidal holes and stubs confined to perpendicular side facets. All objects were sharp-edged. In each draping experiment, an AZ5214-E sheet was (1) formed floating on the water surface, (2) lowered onto a non-planar substrate and (3) draped over it during drying to form either self-sustained, or conformal, or planarizing layers over the non-planar substrates. The draping process is based on the depression of the glass transition temperature Tg of AZ5214-E material induced by penetrant water molecules that interact with AZ5214-E. During the process, the molecules are initially trapped under an AZ5214-E sheet and then transported out through the sheet via permeation. The water-AZ5214-E interaction modifies the stiffness κ of the sheet. The magnitude of the effect depends on temperature T and on partial water vapour pressure difference p(T, P, κ): the net effect is that Tg = f(C(T, P), p(T, P, κ)) is lowered as the concentration C of water increases with T and p, where P is the permeability of the sheet. The interaction depressed the Tg of the sheets as low as or lower than 53 °C for 6 µm thick sheets. At room temperature T Tg, the sheet becomes rubbery and mouldable by adhesion and capillary forces. As a result, it can either contour or planarize the topography depending on its geometry and thickness of the sheet.

Solid-liquid interfacial energy of aminomethylpropanediol

International Nuclear Information System (INIS)

Ocak, Yavuz; Keslioglu, Kazim; Marasli, Necmettin; Akbulut, Sezen

2008-01-01

The grain boundary groove shapes for equilibrated solid aminomethylpropanediol, 2-amino-2 methyl-1.3 propanediol (AMPD) with its melt were directly observed by using a horizontal temperature gradient stage. From the observed grain boundary groove shapes, the Gibbs-Thomson coefficient (Γ), solid-liquid interfacial energy (σ SL ) and grain boundary energy (σ gb ) of AMPD have been determined to be (5.4 ± 0.5) x 10 -8 K m, (8.5 ± 1.3) x 10 -3 J m -2 and (16.5 ± 2.8) x 10 -3 J m -2 , respectively. The ratio of thermal conductivity of equilibrated liquid phase to solid phase for the AMPD has also been measured to be 1.12 at the melting temperature

Solid-liquid interfacial energy of aminomethylpropanediol

Energy Technology Data Exchange (ETDEWEB)

Ocak, Yavuz; Keslioglu, Kazim; Marasli, Necmettin [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey); Akbulut, Sezen [Department of Physics, Institute of Science and Technology, Erciyes University, 38039 Kayseri (Turkey)], E-mail: marasli@erciyes.edu.tr

2008-03-21

The grain boundary groove shapes for equilibrated solid aminomethylpropanediol, 2-amino-2 methyl-1.3 propanediol (AMPD) with its melt were directly observed by using a horizontal temperature gradient stage. From the observed grain boundary groove shapes, the Gibbs-Thomson coefficient ({gamma}), solid-liquid interfacial energy ({sigma}{sub SL}) and grain boundary energy ({sigma}{sub gb}) of AMPD have been determined to be (5.4 {+-} 0.5) x 10{sup -8} K m, (8.5 {+-} 1.3) x 10{sup -3} J m{sup -2} and (16.5 {+-} 2.8) x 10{sup -3} J m{sup -2}, respectively. The ratio of thermal conductivity of equilibrated liquid phase to solid phase for the AMPD has also been measured to be 1.12 at the melting temperature.

Water at Interfaces.

Science.gov (United States)

Björneholm, Olle; Hansen, Martin H; Hodgson, Andrew; Liu, Li-Min; Limmer, David T; Michaelides, Angelos; Pedevilla, Philipp; Rossmeisl, Jan; Shen, Huaze; Tocci, Gabriele; Tyrode, Eric; Walz, Marie-Madeleine; Werner, Josephina; Bluhm, Hendrik

2016-07-13

The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities, the liquid/solid interface which drives many electrochemical reactions, and the liquid/vapor interface, which governs the uptake and release of trace gases by the oceans and cloud droplets. In this article we review some of the recent experimental and theoretical advances in our knowledge of the properties of aqueous interfaces and discuss open questions and gaps in our understanding.

Amorphous-crystalline interface evolution during Solid Phase Epitaxy Regrowth of SiGe films amorphized by ion implantation

International Nuclear Information System (INIS)

D'Angelo, D.; Piro, A.M.; Mirabella, S.; Bongiorno, C.; Romano, L.; Terrasi, A.; Grimaldi, M.G.

2007-01-01

Transmission Electron Microscopy was combined with Time Resolved Reflectivity to study the amorphous-crystalline (a-c) interface evolution during Solid Phase Epitaxy Regrowth (SPER) of Si 0.83 Ge 0.17 films deposited on Si by Molecular Beam Epitaxy and amorphized with Ge + ion implantation. Starting from the Si/SiGe interface, a 20 nm thick layer regrows free of defects with the same SPER rate of pure Si. The remaining SiGe regrows with planar defects and dislocations, accompanied by a decrease of the SPER velocity. The sample was also studied after implantation with B or P. In these cases, the SPER rate raises following the doping concentration profile, but no difference in the defect-free layer thickness was observed compared to the un-implanted sample. On the other hand, B or P introduction reduces the a-c interface roughness, while B-P co-implantation produces roughness comparable to the un-implanted sample

Non-planar dislocations: 3D models and thermally-activated glide processes

International Nuclear Information System (INIS)

Ngan, A.H.W.

2005-01-01

In recent years, there has been a renewed interest in studying the cross-slip of screw dislocations in the simple face-centred cubic (FCC) structure. This paper serves to address parallel developments in modelling the cross-slip of screw dislocations in the body-centred cubic (BCC) structure and the ordered L1 2 structure. In the latter two cases, the dislocation cores have non-planar spreading offering high intrinsic Peierls stresses. The flow behaviours of these materials, such as the non-Schmid behaviour and temperature-dependence of flow stress, are largely due to the behaviours of single dislocations. 3D atomistic modelling of the minimum-energy path for the glide processes in these cases is performed with an aim to reconcile with experimentally determined activation energies for slip

Nonplanar nanoselective area growth of InGaAs/InP

DEFF Research Database (Denmark)

Kuznetsova, Nadezda; Colman, Pierre; Semenova, Elizaveta

2014-01-01

In this study, we have investigated metal-organic vapor phase epitaxial nano-patterned selective area growth of InGaAs/InP on non-planar (001) InP surfaces. Due to high etching resistance and the small molecular size of negative tone electron beam HSQ resist, the protection mask formed in HSQ has...... small feature sizes in ten nanometers scale and allow realization of in-situ etching. As was observed in the SAG regime, in-situ etching of InP by carbon tetrabromide leads to formation of self-limited structures. By altering etching time, the groove shape can be changed from a triangular trench...... to anistropic or isotropic character of etching. The investigated technique of nano-patterned selective area growth allows obtaining different profiles of structures and different quantum structures such as quantum well or wires in the same growth run. To investigate the shape and crystalline quality...

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.

Numerical simulation of cracks and interfaces with cohesive zone models in the extended finite element method, with EDF R and D software Code Aster

International Nuclear Information System (INIS)

Ferte, Guilhem

2014-01-01

In order to assess the harmfulness of detected defects in some nuclear power plants, EDF Group is led to develop advanced simulation tools. Among the targeted mechanisms are 3D non-planar quasi-static crack propagation, but also dynamic transients during unstable phases. In the present thesis, quasi-brittle crack growth is simulated based on the combination of the XFEM and cohesive zone models. These are inserted over large potential crack surfaces, so that the cohesive law will naturally separate adherent and de-bonding zones, resulting in an implicit update of the crack front, which makes the originality of the approach. This requires a robust insertion of non-smooth interface laws in the XFEM, which is achieved in quasi-statics with the use of XFEM-suited multiplier spaces in a consistent formulation, block-wise diagonal interface operators and an augmented Lagrangian formalism to write the cohesive law. Based on this concept and a novel directional criterion appealing to cohesive integrals, a propagation procedure over non-planar crack paths is proposed and compared with literature benchmarks. As for dynamics, an initially perfectly adherent cohesive law is implicitly treated within an explicit time-stepping scheme, resulting in an analytical determination of interface tractions if appropriate discrete spaces are used. Implementation is validated on a tapered DCB test. Extension to quadratic elements is then investigated. For stress-free cracks, it was found that a subdivision into quadratic sub-cells is needed for optimality. Theory expects enriched quadrature to be necessary for distorted sub-cells, but this could not be observed in practice. For adherent interfaces, a novel discrete multiplier space was proposed which has both numerical stability and produces quadratic convergence if used along with quadratic sub-cells. (author)

Phase behavior and reactive transport of partial melt in heterogeneous mantle model

Science.gov (United States)

Jordan, J.; Hesse, M. A.

2013-12-01

The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation

Drop-on-Demand System for Manufacturing of Melt-based Solid Oral Dosage: Effect of Critical Process Parameters on Product Quality.

Science.gov (United States)

Içten, Elçin; Giridhar, Arun; Nagy, Zoltan K; Reklaitis, Gintaras V

2016-04-01

The features of a drop-on-demand-based system developed for the manufacture of melt-based pharmaceuticals have been previously reported. In this paper, a supervisory control system, which is designed to ensure reproducible production of high quality of melt-based solid oral dosages, is presented. This control system enables the production of individual dosage forms with the desired critical quality attributes: amount of active ingredient and drug morphology by monitoring and controlling critical process parameters, such as drop size and product and process temperatures. The effects of these process parameters on the final product quality are investigated, and the properties of the produced dosage forms characterized using various techniques, such as Raman spectroscopy, optical microscopy, and dissolution testing. A crystallization temperature control strategy, including controlled temperature cycles, is presented to tailor the crystallization behavior of drug deposits and to achieve consistent drug morphology. This control strategy can be used to achieve the desired bioavailability of the drug by mitigating variations in the dissolution profiles. The supervisor control strategy enables the application of the drop-on-demand system to the production of individualized dosage required for personalized drug regimens.

Creep measurements confirm steady flow after stress maximum in extension of branched polymer melts

DEFF Research Database (Denmark)

Javier Alvarez, Nicolas; Román Marín, José Manuel; Huang, Qian

2013-01-01

We provide conclusive evidence of nonmonotonic mechanical behavior in the extension of long-chain branched polymer melts. While nonmonotonic behavior is known to occur for solids, for the case of polymeric melts, this phenomenon is in direct contrast with current theoretical models. We rule out t...

Crust behavior and erosion rate prediction of EPR sacrificial material impinged by core melt jet

Energy Technology Data Exchange (ETDEWEB)

Li, Gen; Liu, Ming, E-mail: ming.liu@mail.xjtu.edu.cn; Wang, Jinshi; Chong, Daotong; Yan, Junjie

2017-04-01

Highlights: • A numerical code was developed to analyze melt jet-concrete interaction in the frame of MPS method. • Crust and ablated concrete layer at UO{sub 2}-ZrO{sub 2} melt and concrete interface periodically developed and collapsed. • Concrete surface temperature fluctuated around a low temperature and ablation temperature. • Concrete erosion by Fe-Zr melt jet was significantly faster than that by UO{sub 2}-ZrO{sub 2} melt jet. - Abstract: Sacrificial material is a special ferro-siliceous concrete, designed in the ex-vessel core melt stabilization system of European Pressurized water Reactor (EPR). Given a localized break of RPV lower head, the melt directly impinges onto the dry concrete in form of compact jet. The concrete erosion behavior influences the failure of melt plug, and further affects melt spreading. In this study, a numerical code was developed in the frame of Moving Particle Semi-implicit (MPS) method, to analyze the crust behavior and erosion rate of sacrificial concrete, impinged by prototypic melt jet. In validation of numerical modeling, the time-dependent erosion depth and erosion configuration matched well with the experimental data. Sensitivity study of sacrificial concrete erosion indicates that the crust and ablated concrete layer presented at UO{sub 2}-ZrO{sub 2} melt and concrete interface, whereas no crust could be found in the interaction of Fe-Zr melt with concrete. The crust went through stabilization-fracture-reformation periodic process, accompanied with accumulating and collapsing of molten concrete layer. The concrete surface temperature fluctuated around a low temperature and ablation temperature. It increased as the concrete surface layer was heated to melting, and dropped down when the cold concrete was revealed. The erosion progression was fast in the conditions of small jet diameter and large concrete inclination angle, and it was significantly faster in the erosion by metallic melt jet than by oxidic melt jet.

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

The mineral phase evolution behaviour in the production of glass-ceramics from municipal solid waste incineration fly ash by melting technology.

Science.gov (United States)

Luan, Jingde; Chai, Meiyun; Li, Rundong; Yao, Pengfei; Khan, Agha Saood

2016-01-01

High energy consumption was the major obstacle to the widespread application of melting technology in the treatment of municipal solid waste incineration fly ash. Aiming to lower the ash-melting temperature (AMT) for energy-saving, differential scanning calorimetry, X-ray diffraction and the scanning electron microscope were used to investigate the relations between AMT and the mineral evolution. The results indicated that the change of AMT was determined by the types and the contents of mineral crystals. The transition from refractory minerals to fluxing minerals was the key. The transition of the main crystalline phase from pseudowollastonite (Ca3(Si3O9)) to wollastonite (CaSiO3) played a significant role in AMT reduction. A quantum chemistry calculation was carried out to investigate the effect of crystal reaction activity on AMT. In the chemical reaction, the highest occupied molecular orbital and the lowest unoccupied molecular orbital played a more important role than any other orbits. Cations (Ca(2+), Mg(2+), Na(+), K(+)) were apt to enter into the crystal lattice of wollastonite and gehlenite mainly through Si (3), O (1), Si (6), O (10) and Al (2), O (10), and broke the covalent bonds of Si (3)-O (7), Al (1)-O (9) and Al (1)-O (15), respectively. This deconstruction behaviour provided convenient conditions for restructuring and promoted the formation of fluxing minerals. In melts, the excess SiO2 monomers which existed in the form of cristobalite and quartz caused AMT increase.

Appearance of minimum on the curve of cerium melting

International Nuclear Information System (INIS)

Boguslavskij, Yu.Ya.; Grigor'ev, S.B.

1986-01-01

It is shown by means of simple and obvious thermodynamical considerations that the reduced stability line continues up to the solid phase boundary. The existence of this line causes the appearance of minimum on the fcc cerium melting curve

Thermal-hydraulic behaviors of vapor-liquid interface due to arrival of a pressure wave

Energy Technology Data Exchange (ETDEWEB)

Inoue, Akira; Fujii, Yoshifumi; Matsuzaki, Mitsuo [Tokyo Institute of Technology (Japan)

1995-09-01

In the vapor explosion, a pressure wave (shock wave) plays a fundamental role for triggering, propagation and enhancement of the explosion. Energy of the explosion is related to the magnitude of heat transfer rate from hot liquid to cold volatile one. This is related to an increasing rate of interface area and to an amount of transient heat flux between the liquids. In this study, the characteristics of transient heat transfer and behaviors of vapor film both on the platinum tube and on the hot melt tin drop, under same boundary conditions have been investigated. It is considered that there exists a fundamental mechanism of the explosion in the initial expansion process of the hot liquid drop immediately after arrival of pressure wave. The growth rate of the vapor film is much faster on the hot liquid than that on the solid surface. Two kinds of roughness were observed, one due to the Taylor instability, by rapid growth of the explosion bubble, and another, nucleation sites were observed at the vapor-liquid interface. Based on detailed observation of early stage interface behaviors after arrival of a pressure wave, the thermal fragmentation mechanism is proposed.

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.

A numerical study of the influence of feeding polycrystalline silicon granules on melt temperature in the continuous Czochralski process

Science.gov (United States)

Ono, Naoki; Kida, Michio; Arai, Yoshiaki; Sahira, Kensho

1993-09-01

Temperature change was simulated using a solid body rotating melt model when solid polycrystalline silicon granules were supplied to a melt in a double-crucible method. Only heat conduction was considered in the analysis. The influence of the crucible rotation rates and of the initial temperature of the supplied silicon was investigated systematically and quantitatively. The influence of the crucible rotation rate was stronger than expected, which suggests that the crucible rotation rate cannot be lowered too much because of the possibility of the melt solidifying between the inner and outer crucibles.

Superheating and supercooling of Ge nanocrystals embedded in SiO2

International Nuclear Information System (INIS)

Xu, Q; Sharp, I D; Yuan, C W; Yi, D O; Liao, C Y; Glaeser, A M; Minor, A M; Beeman, J W; Ridgway, M C; Kluth, P; Iii, J W Ager; Chrzan, D C; Haller, E E

2007-01-01

Free-standing nanocrystals exhibit a size-dependant thermodynamic melting point reduction relative to the bulk melting point that is governed by the surface free energy. The presence of an encapsulating matrix, however, alters the interface free energy of nanocrystals and their thermodynamic melting point can either increase or decrease relative to bulk. Furthermore, kinetic contributions can significantly alter the melting behaviours of embedded nanoscale materials. To study the effect of an encapsulating matrix on the melting behaviour of nanocrystals, we performed in situ electron diffraction measurements on Ge nanocrystals embedded in a silicon dioxide matrix. Ge nanocrystals were formed by multi-energy ion implantation into a 500 nm thick silica thin film on a silicon substrate followed by thermal annealing at 900 deg. C for 1 h. We present results demonstrating that Ge nanocrystals embedded in SiO 2 exhibit a 470 K melting/solidification hysteresis that is approximately symmetric about the bulk melting point. This unique behaviour, which is thought to be impossible for bulk materials, is well described using a classical thermodynamic model that predicts both kinetic supercooling and kinetic superheating. The presence of the silica matrix suppresses surface pre-melting of nanocrystals. Therefore, heterogeneous nucleation of both the liquid phase and the solid phase are required during the heating and cooling cycle. The magnitude of melting hysteresis is governed primarily by the value of the liquid Ge/solid Ge interface free energy, whereas the relative values of the solid Ge/matrix and liquid Ge/matrix interface free energies govern the position of the hysteresis loop in absolute temperature