Study of the stability of electrode metal melting and transfer in the process of consumable electrode welding powered by supplies with differing dynamic characteristics

NASA Astrophysics Data System (ADS)

Saraev, Y. N.; Chinakhov, D. A.; Il'yashchenko, D. P.; Kiselev, A. S.; Gardiner, A. S.; Raev, I. V.

2016-11-01

In the paper we present the results of the study of the power supply characteristics effect upon the stability of electrode metal melting and transfer into the weld pool in the process of consumable electrode welding. It was shown that application of inverter type welding power supplies of the new generation results in changing the characteristics of the heat and mass transfer which has a decisive impact upon the heat content of the weld pool, reduction of residual stresses in the heat-affected zone (HAZ). The authors also substantiate the tendency to the reduction of the structural constituents in the area of the permanent joint.

Determination and Dependencies of Melt Pool Dimensions in Laser Micro Welding

NASA Astrophysics Data System (ADS)

Patschger, Andreas; Bliedtner, Jens

Melt pool dimensions such as width and length influence the properties of the resulting weld joint and should be considered when designing the laser welding process. The melt pool width and as a consequence the weld seam width determine the strength of the joint. The melt pool length is directly linked to the solidification time which affects the resulting metallurgical micro structure. The melt pool dimensions can be estimated by given analytical solutions based on the capillary diameter. In order to test the given estimations, melt pool dimensions of bead-on-plate welds in stainless steel foils were measured by means of high speed imaging and microscopy. The welds were obtained by applying different focal diameters between 25 μm and 204 μm to foil thicknesses of 50 μm and 100 μm. As a result, simplified correlations based on the focal diameter are derived which is less complex to determine in practice. Regression analyses ensure a statistical comparability.

Numerical and Experimental Investigations of Humping Phenomena in Laser Micro Welding

NASA Astrophysics Data System (ADS)

Otto, Andreas; Patschger, Andreas; Seiler, Michael

The Humping effect is a phenomenon which is observed approximately since 50 years in various welding procedures and is characterized by droplets due to a pile-up of the melt pool. It occurs within a broad range of process parameters. Particularly during micro welding, humping effect is critical due to typically high feed rates. In the past, essentially two approaches (fluid-dynamic approach of streaming melt within the molten pool and the Plateau-Rayleigh instability of a liquid jet) were discussed in order to explain the occurrence of the humping effect. But none of both can fully explain all observed effects. For this reason, experimental studies in micro welding of thin metal foils were performed in order to determine the influence of process parameters on the occurrence of humping effects. The experimental observations were compared with results from numerical multi-physical simulations (incorporating beam propagation, incoupling, heat transfer, fluid dynamics etc.) to provide a deeper understanding of the causes for hump formation.

Solidification microstructures in single-crystal stainless steel melt pools

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sipf, J.B.; Boatner, L.A.; David, S.A.

1994-03-01

Development of microstructure of stationary melt pools of oriented stainless steel single crystals (70%Fe-15%Ni-15%Cr was analyzed. Stationary melt pools were formed by electron-beam and gas-tungsten-arc heating on (001), (011), and (111) oriented planes of the austenitic, fcc-alloy crystals. Characterization and analysis of resulting microstructure was carried out for each crystallographic plane and welding method. Results showed that crystallography which favors ``easy growth`` along the <100> family of directions is a controlling factor in the microstructural formation along with the melt-pool shape. The microstructure was found to depend on the melting method, since each method forms a unique melt-pool shape. Thesemore » results are used in making a three-dimensional reconstruction of the microstructure for each plane and melting method employed. This investigation also suggests avenues for future research into the microstructural properties of electron-beam welds as well as providing an experimental basis for mathematical models for the prediction of solidification microstructures.« less

Application of a Model for Simulating the Vacuum Arc Remelting Process in Titanium Alloys

NASA Astrophysics Data System (ADS)

Patel, Ashish; Tripp, David W.; Fiore, Daniel

Mathematical modeling is routinely used in the process development and production of advanced aerospace alloys to gain greater insight into system dynamics and to predict the effect of process modifications or upsets on final properties. This article describes the application of a 2-D mathematical VAR model presented in previous LMPC meetings. The impact of process parameters on melt pool geometry, solidification behavior, fluid-flow and chemistry in Ti-6Al-4V ingots will be discussed. Model predictions were first validated against the measured characteristics of industrially produced ingots, and process inputs and model formulation were adjusted to match macro-etched pool shapes. The results are compared to published data in the literature. Finally, the model is used to examine ingot chemistry during successive VAR melts.

Toward determining melt pool quality metrics via coaxial monitoring in laser powder bed fusion.

PubMed

Fisher, Brian A; Lane, Brandon; Yeung, Ho; Beuth, Jack

2018-01-01

The current industry trend in metal additive manufacturing is towards greater real time process monitoring capabilities during builds to ensure high quality parts. While the hardware implementations that allow for real time monitoring of the melt pool have advanced significantly, the knowledge required to correlate the generated data to useful metrics of interest are still lacking. This research presents promising results that aim to bridge this knowledge gap by determining a novel means to correlate easily obtainable sensor data (thermal emission) to key melt pool size metrics (e.g., melt pool cross sectional area).

An instrument for in situ time-resolved X-ray imaging and diffraction of laser powder bed fusion additive manufacturing processes

NASA Astrophysics Data System (ADS)

Calta, Nicholas P.; Wang, Jenny; Kiss, Andrew M.; Martin, Aiden A.; Depond, Philip J.; Guss, Gabriel M.; Thampy, Vivek; Fong, Anthony Y.; Weker, Johanna Nelson; Stone, Kevin H.; Tassone, Christopher J.; Kramer, Matthew J.; Toney, Michael F.; Van Buuren, Anthony; Matthews, Manyalibo J.

2018-05-01

In situ X-ray-based measurements of the laser powder bed fusion (LPBF) additive manufacturing process produce unique data for model validation and improved process understanding. Synchrotron X-ray imaging and diffraction provide high resolution, bulk sensitive information with sufficient sampling rates to probe melt pool dynamics as well as phase and microstructure evolution. Here, we describe a laboratory-scale LPBF test bed designed to accommodate diffraction and imaging experiments at a synchrotron X-ray source during LPBF operation. We also present experimental results using Ti-6Al-4V, a widely used aerospace alloy, as a model system. Both imaging and diffraction experiments were carried out at the Stanford Synchrotron Radiation Lightsource. Melt pool dynamics were imaged at frame rates up to 4 kHz with a ˜1.1 μm effective pixel size and revealed the formation of keyhole pores along the melt track due to vapor recoil forces. Diffraction experiments at sampling rates of 1 kHz captured phase evolution and lattice contraction during the rapid cooling present in LPBF within a ˜50 × 100 μm area. We also discuss the utility of these measurements for model validation and process improvement.

An instrument for in situ time-resolved X-ray imaging and diffraction of laser powder bed fusion additive manufacturing processes.

PubMed

Calta, Nicholas P; Wang, Jenny; Kiss, Andrew M; Martin, Aiden A; Depond, Philip J; Guss, Gabriel M; Thampy, Vivek; Fong, Anthony Y; Weker, Johanna Nelson; Stone, Kevin H; Tassone, Christopher J; Kramer, Matthew J; Toney, Michael F; Van Buuren, Anthony; Matthews, Manyalibo J

2018-05-01

In situ X-ray-based measurements of the laser powder bed fusion (LPBF) additive manufacturing process produce unique data for model validation and improved process understanding. Synchrotron X-ray imaging and diffraction provide high resolution, bulk sensitive information with sufficient sampling rates to probe melt pool dynamics as well as phase and microstructure evolution. Here, we describe a laboratory-scale LPBF test bed designed to accommodate diffraction and imaging experiments at a synchrotron X-ray source during LPBF operation. We also present experimental results using Ti-6Al-4V, a widely used aerospace alloy, as a model system. Both imaging and diffraction experiments were carried out at the Stanford Synchrotron Radiation Lightsource. Melt pool dynamics were imaged at frame rates up to 4 kHz with a ∼1.1 μm effective pixel size and revealed the formation of keyhole pores along the melt track due to vapor recoil forces. Diffraction experiments at sampling rates of 1 kHz captured phase evolution and lattice contraction during the rapid cooling present in LPBF within a ∼50 × 100 μm area. We also discuss the utility of these measurements for model validation and process improvement.

An instrument for in situ time-resolved X-ray imaging and diffraction of laser powder bed fusion additive manufacturing processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calta, Nicholas P.; Wang, Jenny; Kiss, Andrew M.

In situ X-ray-based measurements of the laser powder bed fusion (LPBF) additive manufacturing process produce unique data for model validation and improved process understanding. Synchrotron X-ray imaging and diffraction provide high resolution, bulk sensitive information with sufficient sampling rates to probe melt pool dynamics as well as phase and microstructure evolution. Here, we describe a laboratory-scale LPBF test bed designed to accommodate diffraction and imaging experiments at a synchrotron X-ray source during LPBF operation. We also present experimental results using Ti-6Al-4V, a widely used aerospace alloy, as a model system. Both imaging and diffraction experiments were carried out at themore » Stanford Synchrotron Radiation Lightsource. Melt pool dynamics were imaged at frame rates up to 4 kHz with a ~1.1 μm effective pixel size and revealed the formation of keyhole pores along the melt track due to vapor recoil forces. Diffraction experiments at sampling rates of 1 kHz captured phase evolution and lattice contraction during the rapid cooling present in LPBF within a ~50 × 100 μm area. In conclusion, we also discuss the utility of these measurements for model validation and process improvement.« less

An instrument for in situ time-resolved X-ray imaging and diffraction of laser powder bed fusion additive manufacturing processes

DOE PAGES

Calta, Nicholas P.; Wang, Jenny; Kiss, Andrew M.; ...

2018-05-01

In situ X-ray-based measurements of the laser powder bed fusion (LPBF) additive manufacturing process produce unique data for model validation and improved process understanding. Synchrotron X-ray imaging and diffraction provide high resolution, bulk sensitive information with sufficient sampling rates to probe melt pool dynamics as well as phase and microstructure evolution. Here, we describe a laboratory-scale LPBF test bed designed to accommodate diffraction and imaging experiments at a synchrotron X-ray source during LPBF operation. We also present experimental results using Ti-6Al-4V, a widely used aerospace alloy, as a model system. Both imaging and diffraction experiments were carried out at themore » Stanford Synchrotron Radiation Lightsource. Melt pool dynamics were imaged at frame rates up to 4 kHz with a ~1.1 μm effective pixel size and revealed the formation of keyhole pores along the melt track due to vapor recoil forces. Diffraction experiments at sampling rates of 1 kHz captured phase evolution and lattice contraction during the rapid cooling present in LPBF within a ~50 × 100 μm area. In conclusion, we also discuss the utility of these measurements for model validation and process improvement.« less

Effect of Laser Power and Scan Speed on Melt Pool Characteristics of Commercially Pure Titanium (CP-Ti)

NASA Astrophysics Data System (ADS)

Kusuma, Chandrakanth; Ahmed, Sazzad H.; Mian, Ahsan; Srinivasan, Raghavan

2017-07-01

Selective laser melting (SLM) is an additive manufacturing technique that creates complex parts by selectively melting metal powder layer-by-layer using a laser. In SLM, the process parameters decide the quality of the fabricated component. In this study, single beads of commercially pure titanium (CP-Ti) were melted on a substrate of the same material using an in-house built SLM machine. Multiple combinations of laser power and scan speed were used for single bead fabrication, while the laser beam diameter and powder layer thickness were kept constant. This experimental study investigated the influence of laser power, scan speed, and laser energy density on the melt pool formation, surface morphology, geometry (width and height), and hardness of solidified beads. In addition, the observed unfavorable effect such as inconsistency in melt pool width formation is discussed. The results show that the quality, geometry, and hardness of solidified melt pool are significantly affected by laser power, scanning speed, and laser energy density.

Verification and validation of a rapid heat transfer calculation methodology for transient melt pool solidification conditions in powder bed metal additive manufacturing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plotkowski, A.; Kirka, M. M.; Babu, S. S.

A fundamental understanding of spatial and temporal thermal distributions is crucial for predicting solidification and solid-state microstructural development in parts made by additive manufacturing. While sophisticated numerical techniques that are based on finite element or finite volume methods are useful for gaining insight into these phenomena at the length scale of the melt pool (100 - 500 µm), they are ill-suited for predicting engineering trends over full part cross-sections (> 10 x 10 cm) or many layers over long process times (> many days) due to the necessity of fully resolving the heat source characteristics. On the other hand, itmore » is extremely difficult to resolve the highly dynamic nature of the process using purely in-situ characterization techniques. This article proposes a pragmatic alternative based on a semi-analytical approach to predicting the transient heat conduction during powder bed metal additive manufacturing process. The model calculations were theoretically verified for selective laser melting of AlSi10Mg and electron beam melting of IN718 powders for simple cross-sectional geometries and the transient results are compared to steady state predictions from the Rosenthal equation. It is shown that the transient effects of the scan strategy create significant variations in the melt pool geometry and solid-liquid interface velocity, especially as the thermal diffusivity of the material decreases and the pre-heat of the process increases. With positive verification of the strategy, the model was then experimentally validated to simulate two point-melt scan strategies during electron beam melting of IN718, one intended to produce a columnar and one an equiaxed grain structure. Lastly, through comparison of the solidification conditions (i.e. transient and spatial variations of thermal gradient and liquid-solid interface velocity) predicted by the model to phenomenological CET theory, the model accurately predicted the experimental grain structures.« less

Verification and validation of a rapid heat transfer calculation methodology for transient melt pool solidification conditions in powder bed metal additive manufacturing

DOE PAGES

Plotkowski, A.; Kirka, M. M.; Babu, S. S.

2017-10-16

A fundamental understanding of spatial and temporal thermal distributions is crucial for predicting solidification and solid-state microstructural development in parts made by additive manufacturing. While sophisticated numerical techniques that are based on finite element or finite volume methods are useful for gaining insight into these phenomena at the length scale of the melt pool (100 - 500 µm), they are ill-suited for predicting engineering trends over full part cross-sections (> 10 x 10 cm) or many layers over long process times (> many days) due to the necessity of fully resolving the heat source characteristics. On the other hand, itmore » is extremely difficult to resolve the highly dynamic nature of the process using purely in-situ characterization techniques. This article proposes a pragmatic alternative based on a semi-analytical approach to predicting the transient heat conduction during powder bed metal additive manufacturing process. The model calculations were theoretically verified for selective laser melting of AlSi10Mg and electron beam melting of IN718 powders for simple cross-sectional geometries and the transient results are compared to steady state predictions from the Rosenthal equation. It is shown that the transient effects of the scan strategy create significant variations in the melt pool geometry and solid-liquid interface velocity, especially as the thermal diffusivity of the material decreases and the pre-heat of the process increases. With positive verification of the strategy, the model was then experimentally validated to simulate two point-melt scan strategies during electron beam melting of IN718, one intended to produce a columnar and one an equiaxed grain structure. Lastly, through comparison of the solidification conditions (i.e. transient and spatial variations of thermal gradient and liquid-solid interface velocity) predicted by the model to phenomenological CET theory, the model accurately predicted the experimental grain structures.« less

Analysis of Welding Zinc Coated Steel Sheets in Zero Gap Configuration by 3D Simulations and High Speed Imaging

NASA Astrophysics Data System (ADS)

Koch, Holger; Kägeler, Christian; Otto, Andreas; Schmidt, Michael

Welding of zinc coated sheets in zero gap configuration is of eminent interest for the automotive industry. This Laser welding process would enable the automotive industry to build auto bodies with a high durability in a plain manufacturing process. Today good welding results can only be achieved by expensive constructive procedures such as clamping devices to ensure a defined gad. The welding in zero gap configuration is a big challenge because of the vaporised zinc expelled from the interface between the two sheets. To find appropriate welding parameters for influencing the keyhole and melt pool dynamics, a three dimensional simulation and a high speed imaging system for laser keyhole welding have been developed. The obtained results help to understand the process of the melt pool perturbation caused by vaporised zinc.

Simulation of Laser Additive Manufacturing and its Applications

NASA Astrophysics Data System (ADS)

Lee, Yousub

Laser and metal powder based additive manufacturing (AM), a key category of advanced Direct Digital Manufacturing (DDM), produces metallic components directly from a digital representation of the part such as a CAD file. It is well suited for the production of high-value, customizable components with complex geometry and the repair of damaged components. Currently, the main challenges for laser and metal powder based AM include the formation of defects (e.g., porosity), low surface finish quality, and spatially non-uniform properties of material. Such challenges stem largely from the limited knowledge of complex physical processes in AM especially the molten pool physics such as melting, molten metal flow, heat conduction, vaporization of alloying elements, and solidification. Direct experimental measurement of melt pool phenomena is highly difficult since the process is localized (on the order of 0.1 mm to 1 mm melt pool size) and transient (on the order of 1 m/s scanning speed). Furthermore, current optical and infrared cameras are limited to observe the melt pool surface. As a result, fluid flows in the melt pool, melt pool shape and formation of sub-surface defects are difficult to be visualized by experiment. On the other hand, numerical simulation, based on rigorous solution of mass, momentum and energy transport equations, can provide important quantitative knowledge of complex transport phenomena taking place in AM. The overarching goal of this dissertation research is to develop an analytical foundation for fundamental understanding of heat transfer, molten metal flow and free surface evolution. Two key types of laser AM processes are studied: a) powder injection, commonly used for repairing of turbine blades, and b) powder bed, commonly used for manufacturing of new parts with complex geometry. In the powder injection simulation, fluid convection, temperature gradient (G), solidification rate (R) and melt pool shape are calculated using a heat transfer and fluid flow model, which solves the mass, momentum and energy transport equations using the volume of fluid (VOF) method. These results provide quantitative understanding of underlying mechanisms of solidification morphology, solidification scale and deposit side bulging. In particular, it is shown that convective mixing alters solidification conditions (G and R), cooling trend and resultant size of primary dendrite arm spacing. Melt pool convexity in multiple layer LAM is associated not only with the convex shape of prior deposit but also with Marangoni flow. Lastly, it is shown that the lateral width of bulge is possibly controlled by the type of surface tension gradient. It is noted that laser beam spot size in the powder injection AM is about 2 mm and it melts hundreds of powder particles. Hence, the injection of individual particles is approximated by a lumped mass flux into the molten pool. On the other hand, for laser powder bed AM, the laser beam spot size is about 100 microm and thus it only melts a few tens of particles. Therefore, resolution of individual powder particles is essential for the accurate simulation of laser powder bed AM. To obtain the powder packing information in the powder bed, dynamic discrete element simulation (DEM) is used. It considers particle-particle interactions during packing to provide the quantitative structural powder bed properties such as particle arrangement, size and packing density, which is then an inputted as initial geometry for heat transfer and fluid flow simulation. This coupled 3D transient transport model provides a high spatial resolution while requiring less demanding computation. The results show that negatively skewed particle size distribution, faster scanning speed, low power and low packing density worsen the surface finish quality and promote the formation of balling defects. Taken together, both powder injection and powder bed models have resulted in an improved quantitative understanding of heat transfer, molten metal flow and free surface evolution. Furthermore, the analytical foundation that is developed in this dissertation provides the temperature history in AM, a prerequisite for predicting the solid-state phase transformation kinetics, residual stresses and distortion using other models. Moreover, it can be integrated with experimental monitoring and sensing tools to provide the capability of controlling melt pool shape, solidification microstructure, defect formation and surface finish.

Correlations of Melt Pool Geometry and Process Parameters During Laser Metal Deposition by Coaxial Process Monitoring

NASA Astrophysics Data System (ADS)

Ocylok, Sörn; Alexeev, Eugen; Mann, Stefan; Weisheit, Andreas; Wissenbach, Konrad; Kelbassa, Ingomar

One major demand of today's laser metal deposition (LMD) processes is to achieve a fail-save build-up regarding changing conditions like heat accumulations. Especially for the repair of thin parts like turbine blades is the knowledge about the correlations between melt pool behavior and process parameters like laser power, feed rate and powder mass stream indispensable. The paper will show the process layout with the camera based coaxial monitoring system and the quantitative influence of the process parameters on the melt pool geometry. Therefore the diameter, length and area of the melt pool are measured by a video analytic system at various parameters and compared with the track wide in cross-sections and the laser spot diameter. The influence of changing process conditions on the melt pool is also investigated. On the base of these results an enhanced process of the build-up of a multilayer one track fillet geometry will be presented.

Effect of Inverter Power Source Characteristics on Welding Stability and Heat Affected Zone Dimensions

NASA Astrophysics Data System (ADS)

Il'yaschenko, D. P.; Chinakhov, D. A.; Mamadaliev, R. A.

2018-01-01

The paper presents results the research in the effect of power sources dynamic characteristics on stability of melting and electrode metal transfer to the weld pool shielded metal arc welding. It is proved that when applying inverter-type welding power sources, heat and mass transfer characteristics change, arc gap short-circuit time and drop generation time are reduced. This leads to reduction of weld pool heat content and contraction of the heat-affected zone by 36% in comparison the same parameters obtained using a diode rectifier.

Determination of melt pool dimensions using DOE-FEM and RSM with process window during SLM of Ti6Al4V powder

NASA Astrophysics Data System (ADS)

Zhuang, Jyun-Rong; Lee, Yee-Ting; Hsieh, Wen-Hsin; Yang, An-Shik

2018-07-01

Selective laser melting (SLM) shows a positive prospect as an additive manufacturing (AM) technique for fabrication of 3D parts with complicated structures. A transient thermal model was developed by the finite element method (FEM) to simulate the thermal behavior for predicting the time evolution of temperature field and melt pool dimensions of Ti6Al4V powder during SLM. The FEM predictions were then compared with published experimental measurements and calculation results for model validation. This study applied the design of experiment (DOE) scheme together with the response surface method (RSM) to conduct the regression analysis based on four processing parameters (exactly, the laser power, scanning speed, preheating temperature and hatch space) for predicting the dimensions of the melt pool in SLM. The preliminary RSM results were used to quantify the effects of those parameters on the melt pool size. The process window was further implemented via two criteria of the width and depth of the molten pool to screen impractical conditions of four parameters for including the practical ranges of processing parameters. The FEM simulations confirmed the good accuracy of the critical RSM models in the predictions of melt pool dimensions for three typical SLM working scenarios.

Numerical Simulation of the Evolution of Solidification Microstructure in Laser Deposition (Preprint)

DTIC Science & Technology

2007-08-01

the deposition process. This model is applied to Ti-6Al-4V. 1. Instruction Laser deposition is an extension of the laser cladding process...uses a focused laser beam as a heat source to create a melt pool on an underlying substrate. Powder material is then injected into the melt pool...melt pool Deposited layer Remelted zone Substrate Shielding gas Laser beam Powder The governing equations have been discretized using a

Evaluation of thermal behavior during laser metal deposition using optical pyrometry and numerical simulation

NASA Astrophysics Data System (ADS)

Dubrov, Alexander V.; Zavalov, Yuri N.; Mirzade, Fikret K.; Dubrov, Vladimir D.

2017-06-01

3D mathematical model of non-stationary processes of heat and mass transfer was developed for additive manufacturing of materials by direct laser metal deposition. The model takes into account self-consistent dynamics of free surface, temperature fields, and melt flow speeds. Evolution of free surface is modelled using combined Volume of Fluid and Level-Set method. Article presents experimental results of the measurement of temperature distribution in the area of bead formation by direct laser metal deposition, using multi-channel pyrometer, that is based on two-color sensors line. A comparison of experimental data with the results of numerical modeling was carried out. Features of thermal dynamics on the surface of melt pool have been detected, which were caused by thermo-capillary convection.

Dimethyl sulfide dynamics in first-year sea ice melt ponds in the Canadian Arctic Archipelago

NASA Astrophysics Data System (ADS)

Gourdal, Margaux; Lizotte, Martine; Massé, Guillaume; Gosselin, Michel; Poulin, Michel; Scarratt, Michael; Charette, Joannie; Levasseur, Maurice

2018-05-01

Melt pond formation is a seasonal pan-Arctic process. During the thawing season, melt ponds may cover up to 90 % of the Arctic first-year sea ice (FYI) and 15 to 25 % of the multi-year sea ice (MYI). These pools of water lying at the surface of the sea ice cover are habitats for microorganisms and represent a potential source of the biogenic gas dimethyl sulfide (DMS) for the atmosphere. Here we report on the concentrations and dynamics of DMS in nine melt ponds sampled in July 2014 in the Canadian Arctic Archipelago. DMS concentrations were under the detection limit ( < 0.01 nmol L-1) in freshwater melt ponds and increased linearly with salinity (rs = 0.84, p ≤ 0.05) from ˜ 3 up to ˜ 6 nmol L-1 (avg. 3.7 ± 1.6 nmol L-1) in brackish melt ponds. This relationship suggests that the intrusion of seawater in melt ponds is a key physical mechanism responsible for the presence of DMS. Experiments were conducted with water from three melt ponds incubated for 24 h with and without the addition of two stable isotope-labelled precursors of DMS (dimethylsulfoniopropionate), (D6-DMSP) and dimethylsulfoxide (13C-DMSO). Results show that de novo biological production of DMS can take place within brackish melt ponds through bacterial DMSP uptake and cleavage. Our data suggest that FYI melt ponds could represent a reservoir of DMS available for potential flux to the atmosphere. The importance of this ice-related source of DMS for the Arctic atmosphere is expected to increase as a response to the thinning of sea ice and the areal and temporal expansion of melt ponds on Arctic FYI.

Melting Efficiency During Plasma Arc Welding

NASA Technical Reports Server (NTRS)

McClure, J.C.; Evans, D. M.; Tang, W.; Nunes, A. C.

1999-01-01

A series of partial penetration Variable Polarity Plasma Arc welds were made at equal power but various combinations of current and voltage on 2219 aluminum. Arc Efficiency was measured calorimetrically and ranged between 48% and 66%. Melting efficiency depends on the weld pool shape. Increased current increases the melting efficiency as it increases the depth to width ratio of the weld pool. Higher currents are thought to raise arc pressure and depress the liquid at the bottom of the weld pool causing a more nearly two dimensional heat flow condition.

Dynamic melting in plume heads: the formation of Gorgona komatiites and basalts

NASA Astrophysics Data System (ADS)

Arndt, Nicholas T.; Kerr, Andrew C.; Tarney, John

1997-01-01

The small Pacific island of Gorgona, off the coast of Colombia, is well known for its spectacular spinifex-textured komatiites. These high-Mg liquids, which have been linked to a late Cretaceous deep mantle plume, are part of a volcanic series with a wide range of trace-element compositions, from moderately enriched basalts ( La/SmN ˜ 1.5) to extremely depleted ultramafic tuffs and picrites ( La/SmN ˜ 0.2). Neither fractional crystallization, nor partial melting of a homogeneous mantle source, can account for this large variation: the source must have been chemically heterogeneous. Low 143Nd/144Nd in the more enriched basalts indicates some initial source heterogeneity but most of the variation in magma compositions is believed to result from dynamic melting during the ascent of a plume. Modelling of major- and trace-element compositions suggests that ultramafic magmas formed at ˜ 60-100 km depth, and that the melt extraction that gave rise to their depleted sources started at still greater depths. The ultra-depleted lavas represent magmas derived directly from the hottest, most depleted parts of the plume; the more abundant moderately depleted basalts are interpreted as the products of pooling of liquids from throughout the melting region.

Numerical study of effect of the gas-coolant free surface on the droplet fragmentation behavior of coolants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, H.X.; Anh, B.V.; Dinh, T.N.

1999-07-01

This paper presents results of a numerical investigation on the behavior of melt drops falling in a gas (vapor) space and then penetrating into a liquid volume through the gas-liquid interface. The phenomenon studied here is, usually, observed when a liquid drop falls through air into a water pool and is, specially, of interest when a hypothetical severe reactor core meltdown accident is considered. The objective of this work is to study the effect of the gas-liquid interface on the dynamic evolution of the interaction area between the fragmenting melt drop and water. In the present study, the Navier-Stokes equationsmore » are solved for three phases (gas, liquid and melt-drop) using a higher-order, explicit, numerical method, called Cubic-Interpolated Pseudo-Particle (CIP) method, which is employed in combination with an advanced front-capturing scheme, named the Level Set Algorithm (LSA). By using this method, reasonable physical pictures of droplet deformation and fragmentation during movement in a stationary uniform water pool, and in a gas-liquid two-layer volume, is simulated. Effect of the gas-liquid interface on the drop deformation and fragmentation is analyzed by comparing the simulation results obtained for the two cases. Effects of the drop geometry, and of the flow conditions, on the behavior of the melt drop are also analyzed.« less

Geomorphologic mapping of the lunar crater Tycho and its impact melt deposits

NASA Astrophysics Data System (ADS)

Krüger, T.; van der Bogert, C. H.; Hiesinger, H.

2016-07-01

Using SELENE/Kaguya Terrain Camera and Lunar Reconnaissance Orbiter Camera (LROC) data, we produced a new, high-resolution (10 m/pixel), geomorphological and impact melt distribution map for the lunar crater Tycho. The distal ejecta blanket and crater rays were investigated using LROC wide-angle camera (WAC) data (100 m/pixel), while the fine-scale morphologies of individual units were documented using high resolution (∼0.5 m/pixel) LROC narrow-angle camera (NAC) frames. In particular, Tycho shows a large coherent melt sheet on the crater floor, melt pools and flows along the terraced walls, and melt pools on the continuous ejecta blanket. The crater floor of Tycho exhibits three distinct units, distinguishable by their elevation and hummocky surface morphology. The distribution of impact melt pools and ejecta, as well as topographic asymmetries, support the formation of Tycho as an oblique impact from the W-SW. The asymmetric ejecta blanket, significantly reduced melt emplacement uprange, and the depressed uprange crater rim at Tycho suggest an impact angle of ∼25-45°.

In-situ characterization of laser-powder interaction and cooling rates through high-speed imaging of powder bed fusion additive manufacturing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scipioni Bertoli, Umberto; Guss, Gabe; Wu, Sheldon

We report detailed understanding of the complex melt pool physics plays a vital role in predicting optimal processing regimes in laser powder bed fusion additive manufacturing. In this work, we use high framerate video recording of Selective Laser Melting (SLM) to provide useful insight on the laser-powder interaction and melt pool evolution of 316 L powder layers, while also serving as a novel instrument to quantify cooling rates of the melt pool. The experiment was performed using two powder types – one gas- and one water-atomized – to further clarify how morphological and chemical differences between these two feedstock materialsmore » influence the laser melting process. Finally, experimentally determined cooling rates are compared with values obtained through computer simulation, and the relationship between cooling rate and grain cell size is compared with data previously published in the literature.« less

In-situ characterization of laser-powder interaction and cooling rates through high-speed imaging of powder bed fusion additive manufacturing

DOE PAGES

Scipioni Bertoli, Umberto; Guss, Gabe; Wu, Sheldon; ...

2017-09-21

We report detailed understanding of the complex melt pool physics plays a vital role in predicting optimal processing regimes in laser powder bed fusion additive manufacturing. In this work, we use high framerate video recording of Selective Laser Melting (SLM) to provide useful insight on the laser-powder interaction and melt pool evolution of 316 L powder layers, while also serving as a novel instrument to quantify cooling rates of the melt pool. The experiment was performed using two powder types – one gas- and one water-atomized – to further clarify how morphological and chemical differences between these two feedstock materialsmore » influence the laser melting process. Finally, experimentally determined cooling rates are compared with values obtained through computer simulation, and the relationship between cooling rate and grain cell size is compared with data previously published in the literature.« less

Denudation of metal powder layers in laser powder bed fusion processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matthews, Manyalibo J.; Guss, Gabe; Khairallah, Saad A.

Understanding laser interaction with metal powder beds is critical in predicting optimum processing regimes in laser powder bed fusion additive manufacturing of metals. In this work, we study the denudation of metal powders that is observed near the laser scan path as a function of laser parameters and ambient gas pressure. We show that the observed depletion of metal powder particles in the zone immediately surrounding the solidified track is due to a competition between outward metal vapor flux directed away from the laser spot and entrainment of powder particles in a shear flow of gas driven by a metalmore » vapor jet at the melt track. Between atmospheric pressure and ~10 Torr of Ar gas, the denuded zone width increases with decreasing ambient gas pressure and is dominated by entrainment from inward gas flow. The denuded zone then decreases from 10 to 2.2 Torr reaching a minimum before increasing again from 2.2 to 0.5 Torr where metal vapor flux and expansion from the melt pool dominates. In addition, the dynamics of the denudation process were captured using high-speed imaging, revealing that the particle movement is a complex interplay among melt pool geometry, metal vapor flow, and ambient gas pressure. The experimental results are rationalized through finite element simulations of the melt track formation and resulting vapor flow patterns. The results presented here represent new insights to denudation and melt track formation that can be important for the prediction and minimization of void defects and surface roughness in additively manufactured metal components.« less

Denudation of metal powder layers in laser powder bed fusion processes

DOE PAGES

Matthews, Manyalibo J.; Guss, Gabe; Khairallah, Saad A.; ...

2016-05-20

Understanding laser interaction with metal powder beds is critical in predicting optimum processing regimes in laser powder bed fusion additive manufacturing of metals. In this work, we study the denudation of metal powders that is observed near the laser scan path as a function of laser parameters and ambient gas pressure. We show that the observed depletion of metal powder particles in the zone immediately surrounding the solidified track is due to a competition between outward metal vapor flux directed away from the laser spot and entrainment of powder particles in a shear flow of gas driven by a metalmore » vapor jet at the melt track. Between atmospheric pressure and ~10 Torr of Ar gas, the denuded zone width increases with decreasing ambient gas pressure and is dominated by entrainment from inward gas flow. The denuded zone then decreases from 10 to 2.2 Torr reaching a minimum before increasing again from 2.2 to 0.5 Torr where metal vapor flux and expansion from the melt pool dominates. In addition, the dynamics of the denudation process were captured using high-speed imaging, revealing that the particle movement is a complex interplay among melt pool geometry, metal vapor flow, and ambient gas pressure. The experimental results are rationalized through finite element simulations of the melt track formation and resulting vapor flow patterns. The results presented here represent new insights to denudation and melt track formation that can be important for the prediction and minimization of void defects and surface roughness in additively manufactured metal components.« less

The hydrometeor partitioning and microphysical processes over the Pacific Warm Pool in numerical modeling

NASA Astrophysics Data System (ADS)

Huang, Yi-Chih; Wang, Pao K.

2017-01-01

Numerical modeling is conducted to study the hydrometeor partitioning and microphysical source and sink processes during a quasi-steady state of thunderstorms over the Pacific Warm Pool by utilizing the microphysical model WISCDYMM to simulate selected storm cases. The results show that liquid-phase hydrometeors dominate thunderstorm evolution over the Pacific Warm Pool. The ratio of ice-phase mass to liquid-phase mass is about 41%: 59%, indicating that ice-phase water is not as significant over the Pacific Warm Pool as the liquid water compared to the larger than 50% in the subtropics and 80% in the US High Plains in a previous study. Sensitivity tests support the dominance of liquid-phase hydrometeors over the Pacific Warm Pool. The major rain sources are the key hail sinks: melting of hail and shedding from hail; whereas the crucial rain sinks are evaporation and accretion by hail. The major snow sources are Bergeron-Findeisen process, transfer of cloud ice to snow and accretion of cloud water; whereas the foremost sink of snow is accretion by hail. The essential hail sources are accretions of rain, cloud water, and snow; whereas the critical hail sinks are melting of hail and shedding from hail. The contribution and ranking of sources and sinks of these precipitates are compared with the previous study. Hydrometeors have their own special microphysical processes in the development and depletion over the Pacific Warm Pool. Microphysical budgets depend on atmospheric dynamical and thermodynamical conditions which determine the partitioning of hydrometeors. This knowledge would benefit the microphysics parameterization in cloud models and cumulus parameterization in global circulation models.

2D modeling of direct laser metal deposition process using a finite particle method

NASA Astrophysics Data System (ADS)

Anedaf, T.; Abbès, B.; Abbès, F.; Li, Y. M.

2018-05-01

Direct laser metal deposition is one of the material additive manufacturing processes used to produce complex metallic parts. A thorough understanding of the underlying physical phenomena is required to obtain a high-quality parts. In this work, a mathematical model is presented to simulate the coaxial laser direct deposition process tacking into account of mass addition, heat transfer, and fluid flow with free surface and melting. The fluid flow in the melt pool together with mass and energy balances are solved using the Computational Fluid Dynamics (CFD) software NOGRID-points, based on the meshless Finite Pointset Method (FPM). The basis of the computations is a point cloud, which represents the continuum fluid domain. Each finite point carries all fluid information (density, velocity, pressure and temperature). The dynamic shape of the molten zone is explicitly described by the point cloud. The proposed model is used to simulate a single layer cladding.

Method for the melting of metals

DOEpatents

White, Jack C.; Traut, Davis E.

1992-01-01

A method of quantitatively determining the molten pool configuration in melting of metals. The method includes the steps of introducing hafnium metal seeds into a molten metal pool at intervals to form ingots, neutron activating the ingots and determining the hafnium location by radiometric means. Hafnium possesses exactly the proper metallurgical and radiochemical properties for this use.

ARC and Melting Efficiency of Plasma ARC Welds

NASA Technical Reports Server (NTRS)

McClure, J. C.; Nunes, A. C.; Evans, D. M.

1999-01-01

A series of partial penetration Variable Polarity Plasma Arc welds were made at equal power but various combinations of current and voltage on 2219 Aluminum. Arc efficiency was measured calorimetrically and ranged between 48% and 66% for the conditions of the welds. Arc efficiency depends in different ways on voltage and current. The voltage effect dominates. Raising voltage while reducing current increases arc efficiency. Longer, higher voltage arcs are thought to transfer a greater portion of arc power to the workpiece through shield gas convection. Melting efficiency depends upon weld pool shape as well as arc efficiency. Increased current increases the melting efficiency as it increases the depth to width ratio of the weld pool. Increased plasma gas flow does the same thing. Higher currents are thought to raise arc pressure and depress liquid at the bottom of the weld pool. More arc power then transfers to the workpiece through increasing plasma gas convection. If the power is held constant, the reduced voltage lowers the arc efficiency, while the pool shape change increases the melting efficiency,

Major and trace element modeling of mid-ocean ridge mantle melting from the garnet to the plagioclase stability fields: Generating local and global compositional variability

NASA Astrophysics Data System (ADS)

Brown, S. M.; Behn, M. D.; Grove, T. L.

2017-12-01

We present results of a combined petrologic - geochemical (major and trace element) - geodynamical forward model for mantle melting and subsequent melt modification. The model advances Behn & Grove (2015), and is calibrated using experimental petrology. Our model allows for melting in the plagioclase, spinel, and garnet fields with a flexible retained melt fraction (from pure batch to pure fractional), tracks residual mantle composition, and includes melting with water, variable melt productivity, and mantle mode calculations. This approach is valuable for understanding oceanic crustal accretion, which involves mantle melting and melt modification by migration and aggregation. These igneous processes result in mid-ocean ridge basalts that vary in composition at the local (segment) and global scale. The important variables are geophysical and geochemical and include mantle composition, potential temperature, mantle flow, and spreading rate. Accordingly, our model allows us to systematically quantify the importance of each of these external variables. In addition to discriminating melt generation effects, we are able to discriminate the effects of different melt modification processes (inefficient pooling, melt-rock reaction, and fractional crystallization) in generating both local, segment-scale and global-scale compositional variability. We quantify the influence of a specific igneous process on the generation of oceanic crust as a function of variations in the external variables. We also find that it is unlikely that garnet lherzolite melting produces a signature in either major or trace element compositions formed from aggregated melts, because when melting does occur in the garnet field at high mantle temperature, it contributes a relatively small, uniform fraction (< 10%) of the pooled melt compositions at all spreading rates. Additionally, while increasing water content and/or temperature promote garnet melting, they also increase melt extent, pushing the pooled composition to lower Sm/Yb and higher Lu/Hf.

Evaluation of alloy 690 process pot at the contact with borosilicate melt pool during vitrification of high-level nuclear waste

NASA Astrophysics Data System (ADS)

Sengupta, Pranesh; Kaushik, C. P.; Kale, G. B.; Das, D.; Raj, K.; Sharma, B. P.

2009-08-01

Understanding the material behaviour under service conditions is essential to enhance the life span of alloy 690 process pot used in vitrification of high-level nuclear waste. During vitrification process, interaction of alloy 690 with borosilicate melt takes place for substantial time period. Present experimental studies show that such interactions may result in Cr carbide precipitation along grain boundaries, Cr depletion in austenitic matrix and intergranular attack close to alloy 690/borosilicate melt pool interfaces. Widths of Cr depleted zone within alloy 690 is found to follow kinetics of the type x = 10.9 × 10 -6 + 1 × 10 -8t1/2 m. Based on the experimental results it is recommended that compositional modification of alloy 690 process pot adjacent to borosilicate melt pool need to be considered seriously for any efforts towards reduction and/or prevention of process pot failures.

Numerical simulation and parametric analysis of selective laser melting process of AlSi10Mg powder

NASA Astrophysics Data System (ADS)

Pei, Wei; Zhengying, Wei; Zhen, Chen; Junfeng, Li; Shuzhe, Zhang; Jun, Du

2017-08-01

A three-dimensional numerical model was developed to investigate effects of laser scanning speed, laser power, and hatch spacing on the thermodynamic behaviors of the molten pool during selective laser melting of AlSi10Mg powder. A randomly distributed packed powder bed was achieved using discrete element method (DEM). The powder bed can be treated as a porous media with interconnected voids in the simulation. A good agreement between numerical results and experimental results establish the validity of adopted method. The numerical results show that the Marangoni flow within the molten pool was significantly affected by the processing parameters. An intense Marangoni flow leads to a perturbation within the molten pool. In addition, a relatively high scanning speed tends to cause melt instability. The perturbation or the instability within the molten pool results in the formation of pores during SLM, which have a direct influence on the densification level.

TEMperature Pressure ESTimation of a homogeneous boiling fuel-steel mixture in an LMFBR core. [TEMPEST code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pyun, J.J.; Majumdar, D.

The paper describes TEMPEST, a simple computer program for the temperature and pressure estimation of a boiling fuel-steel pool in an LMFBR core. The time scale of interest of this program is large, of the order of ten seconds. Further, the vigorous boiling in the pool will generate a large contact, and hence a large heat transfer between fuel and steel. The pool is assumed to be a uniform mixture of fuel and steel, and consequently vapor production is also assumed to be uniform throughout the pool. The pool is allowed to expand in volume if there is steel meltingmore » at the walls. In this program, the total mass of liquid and vapor fuel is always kept constant, but the total steel mass in the pool may change by steel wall melting. Because of a lack of clear understanding of the physical phenomena associated with the progression of a fuel-steel mixture at high temperature, various input options have been built-in to enable one to perform parametric studies. For example, the heat transfer from the pool to the surrounding steel structure may be controlled by input values for the heat transfer coefficients, or, the heat transfer may be calculated by a correlation obtained from the literature. Similarly, condensation of vapor on the top wall can be specified by input values of the condensation coefficient; the program can otherwise calculate condensation according to the non-equilibrium model predictions. Meltthrough rates of the surrounding steel walls can be specified by a fixed melt-rate or can be determined by a fraction of the heat loss that goes to steel-melting. The melted steel is raised to the pool temperature before it is joined with the pool material. Several applications of this program to various fuel-steel pools in the FFTF and the CRBR cores are discussed.« less

Selective Laser Melting of Pure Copper

NASA Astrophysics Data System (ADS)

Ikeshoji, Toshi-Taka; Nakamura, Kazuya; Yonehara, Makiko; Imai, Ken; Kyogoku, Hideki

2017-12-01

Appropriate building parameters for selective laser melting of 99.9% pure copper powder were investigated at relatively high laser power of 800 W for hatch pitch in the range from 0.025 mm to 0.12 mm. The highest relative density of the built material was 99.6%, obtained at hatch pitch of 0.10 mm. Building conditions were also studied using transient heat analysis in finite element modeling of the liquidation and solidification of the powder layer. The estimated melt pool length and width were comparable to values obtained by observations using a thermoviewer. The trend for the melt pool width versus the hatch pitch agreed with experimental values.

Selective Laser Melting of Pure Copper

NASA Astrophysics Data System (ADS)

Ikeshoji, Toshi-Taka; Nakamura, Kazuya; Yonehara, Makiko; Imai, Ken; Kyogoku, Hideki

2018-03-01

Appropriate building parameters for selective laser melting of 99.9% pure copper powder were investigated at relatively high laser power of 800 W for hatch pitch in the range from 0.025 mm to 0.12 mm. The highest relative density of the built material was 99.6%, obtained at hatch pitch of 0.10 mm. Building conditions were also studied using transient heat analysis in finite element modeling of the liquidation and solidification of the powder layer. The estimated melt pool length and width were comparable to values obtained by observations using a thermoviewer. The trend for the melt pool width versus the hatch pitch agreed with experimental values.

Real-time wetting dynamics and interfacial chemistry in low-melting 57Bi-42Sn-1Ag solder paste on Ni-Au

NASA Astrophysics Data System (ADS)

Bozack, M. J.

2004-11-01

We report the observation of real-time, in situ, wetting and spreading dynamics for 57Bi-42Sn-1Ag solder paste on Ni-Au surfaces during melting in a scanning electron microscope. The 57Bi-42Sn-1Ag is a low melting (139 °C) Pb-free eutectic alloy currently under consideration by automobile manufacturers for use in instrument displays. We find that, while there is excellent wetting of 57Bi-42Sn-1Ag solder paste on Ni-Au, there is almost no spreading. A large amount of Bi segregates to the surface of 57Bi-42Sn-1Ag solder balls during the sintering process. At melting, excessive flux outgassing and pooling are observed, several melted solder balls float on top of the flux, and substantial elemental segregation occurs during the first minutes of wetting. Neither Ni nor Au fully intermixes throughout the alloy at the interface within seconds of wetting. Bi does not move outward with the expanding alloy front. This combination of detrimental effects forms voids in the solder paste, contributes to low reliability of solder joints, and complicates the materials science at the solder-substrate interface as shown by Auger electron spectroscopy. Reliability work in progress (3000 cycles) shows that 57Bi-42Sn-1Ag on Ni-Au is less reliable than eutectic Sn-37Pb on Ni-Au for 2512 chip resistors cycled from -40 to 125 °C.

Thermal behavior in single track during selective laser melting of AlSi10Mg powder

NASA Astrophysics Data System (ADS)

Wei, Pei; Wei, Zhengying; Chen, Zhen; He, Yuyang; Du, Jun

2017-09-01

A three-dimensional model was developed to simulate the radiation heat transfer in the AlSi10Mg packed bed. The volume of fluid method (VOF) was used to capture the free surface during selective laser melting (SLM). A randomly packed powder bed was obtained using discrete element method (DEM) in Particle Flow Code (PFC). The proposed model has demonstrated a high potential to simulate the selective laser melting process (SLM) with high accuracy. In this paper, the effect of the laser scanning speed and laser power on the thermodynamic behavior of the molten pool was investigated numerically. The results show that the temperature gradient and the resultant surface tension gradient between the center and the edge of the molten pool increase with decreasing the scanning speed or increasing the laser power, thereby intensifying the Marangoni flow and attendant turbulence within the molten pool. However, at a relatively high scanning speed, a significant instability may be generated in the molten pool. The perturbation and instability in the molten pool during SLM may result in an irregular shaped track.

Laser pulse heating of steel mixing with WC particles in a irradiated region

NASA Astrophysics Data System (ADS)

Shuja, S. Z.; Yilbas, B. S.; Ali, H.; Karatas, C.

2016-12-01

Laser pulse heating of steel mixing with tungsten carbide (WC) particles is carried out. Temperature field in the irradiated region is simulated in line with the experimental conditions. In the analysis, a laser pulse parameter is introduced, which defines the laser pulse intensity distribution at the irradiated surface. The influence of the laser parameter on the melt pool size and the maximum temperature increase in the irradiated region is examined. Surface temperature predictions are compared with the experimental data. In addition, the distribution of WC particles and their re-locations in the treated layer, due to combination of the natural convection and Marangoni currents, are predicted. The findings are compared to the experimental data. It is found that surface temperature predictions agree well with the experimental data. The dislocated WC particles form a streamlining in the near region of the melt pool wall, which agree with the experimental findings. The Gaussian distribution of the laser pulse intensity results in the maximum peak temperature and the maximum flow velocity inside the melt pool. In this case, the melt pool depth becomes the largest as compared to those corresponding to other laser pulse intensity distributions at the irradiated surface.

Ecohydrological dynamics of peatlands and adjacent upland forests in the Rocky Mountains

NASA Astrophysics Data System (ADS)

Millar, D.; Parsekian, A.; Mercer, J.; Ewers, B. E.; Mackay, D. S.; Williams, D. G.; Cooper, D. J.; Ronayne, M. J.

2017-12-01

Mountain peatlands are susceptible to a changing climate via changes in the water cycle. Understanding the impacts of such changes requires knowledge of the hydrological processes within these peatlands and in the upland forests that supply them with water. We investigated hydrological processes in peatland catchments in the Rocky Mountains by developing empirical models of groundwater dynamics, and are working to improve subsurface water dynamics in a ecohydrological process model, the Terrestrial Regional Ecosystem Exchange Simulator (TREES). Results from empirical models showed major differences in water budget components between two peatlands with differing climate, vegetation, and hydrogeological settings. Several-fold higher rates of evapotranspiration from the saturated zone, and groundwater inflow were observed for a sloping fen in southern Wyoming than that of a basin fen in southwestern Colorado, where rainfall was two-fold higher due to stronger influence of the North American monsoon. We also present ongoing work coupling stable water isotope and borehole nuclear magnetic resonance analyses to test which soil water pools (bound or mobile) are used by dominant upland and peatland vegetation in two catchments in southern Wyoming. These data are being used to test whether the root hydraulic mechanisms in TREES can simulate water uptake from these two soil water pools, and sap flux measurements are being used to evaluate simulated transpiration. Preliminary results from this work suggest that upland vegetation utilize tightly-bound soil water pools, as these pools comprise the largest amount of subsurface water (> 80%) in the vadose zone long after snow melt. Conversely, it appears that herbaceous peatland hydrophytes may preferentially utilize mobile soil water pools, since their roots extend below the water table. The results of this work are expected to increase predictive understanding of hydrological processes in these important ecosystems.

A multi-component evaporation model for beam melting processes

NASA Astrophysics Data System (ADS)

Klassen, Alexander; Forster, Vera E.; Körner, Carolin

2017-02-01

In additive manufacturing using laser or electron beam melting technologies, evaporation losses and changes in chemical composition are known issues when processing alloys with volatile elements. In this paper, a recently described numerical model based on a two-dimensional free surface lattice Boltzmann method is further developed to incorporate the effects of multi-component evaporation. The model takes into account the local melt pool composition during heating and fusion of metal powder. For validation, the titanium alloy Ti-6Al-4V is melted by selective electron beam melting and analysed using mass loss measurements and high-resolution microprobe imaging. Numerically determined evaporation losses and spatial distributions of aluminium compare well with experimental data. Predictions of the melt pool formation in bulk samples provide insight into the competition between the loss of volatile alloying elements from the irradiated surface and their advective redistribution within the molten region.

The Role of Lug Preheating, Melt Pool Temperature, and Lug Entrance Delay on the Cast-on-Strap Joining Process

NASA Astrophysics Data System (ADS)

Pahlavan, Sohrab; Nikpour, Saman; Mirjalili, Mostafa; Alagheband, Ali; Azimi, Mohammadyousef; Taji, Iman

2017-07-01

This work deals with effective parameters in the cast-on-strap (COS) process during which grid lugs of a lead-acid battery are joined together by a strap. The effects of lug preheating, melt pool temperature, and lug entrance delay on the quality of joints and casting defects were investigated. Lug preheating was found to propitiously reduce joint internal voids because of flux elimination. Its adverse effect on lowering lug wettability, however, made it unfavorable under the experimental conditions. The melt pool temperature also showed a two-sided effect depending on the process conditions. Raising the temperature increases the strap melt fluidity, which improves the joint contact area; however, it has a negative effect on lug wettability by flux evaporation. Besides, higher temperatures cause more lug back-melting and, hence, lower relative contact lengths. Therefore, an intermediate temperature of 683 K (410 °C) was found to make the most proper condition. Moreover, the case at which the lugs enter the mold coincident with its filling by the melt rendered the best joint quality. In this condition, the melt flows through the interlug spaces, which helps the voids to escape, resulting in the better joint interface. As the conclusion, the lug entrance time has the most effective role on joint quality, considering that lug preheating does not show any improving effect.

Variations in Nutrient Cycling and Meltwater Composition Between Ice-Lidded and Open System Cryoconites

NASA Astrophysics Data System (ADS)

Mass, A.

2016-12-01

Cryoconites are small melt pools on the ablation surface of glaciers created by the accumulation of aeolian sediment with a lower albedo than the surrounding ice. While many cryoconites remain open to the surrounding atmosphere, environmental conditions in the McMurdo Dry Valleys of Antarctica often lead to the formation of dense ice lids due to advection from cold winds. These lidded cryoconites are isolated from atmospheric exchange while maintaining subsurface melt in a solid-state greenhouse. The varying conditions for the formation and freeze-thaw cycle of cryoconites lead to a range of biogeochemical processes occurring within the pools. This study analyzed the biochemistry of both open and lidded cryoconite water from six glaciers in the Dry Valleys throughout the initial pulse melt, equilibrium, and refreezing periods in 2013- 2015. Many of the spatial gradients in carbon cycling, solute concentrations, and pH identified for lidded cryoconites exhibited opposite trends for pools in equilibrium with the atmosphere, while temporal gradients were less diverse for open pools.

Gravitational effects on the development of weld-pool and solidification microstructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boatner, L.A.; David, S.A.; Workman, G.

1994-09-01

This research effort has as its objective the development of a quantitative understanding of the effects of both low- and high-g environments on the solidification microstructures and morphologies that are produced in alloy single crystals during a variety of melting and solidification processes. The overall goal of the effort is to delineate the nature of the roles played by natural convection, surface-tension-driven convection, and mass transport effects due to interactions associated with various heating methods that are used to form melt pools in practical, commercially important alloy systems. The experimental and theoretical investigations comprising this effort encompass the study ofmore » configurations in which stationary heat sources are employed as well as melt pools formed by moving heat sources like those frequently used in fusion-welding processes.« less

Single-step laser deposition of functionally graded coating by dual ‘wire powder’ or ‘powder powder’ feeding—A comparative study

NASA Astrophysics Data System (ADS)

Syed, Waheed Ul Haq; Pinkerton, Andrew J.; Liu, Zhu; Li, Lin

2007-07-01

The creation of iron-copper (Fe-Cu) alloys has practical application in improving the surface heat conduction and corrosion resistance of, for example, conformal cooling channels in steel moulds, but is difficult to achieve because the elements have got low inter-solubility and are prone to solidification cracking. Previous work by these authors has reported a method to produce a graded iron-nickel-copper coating in a single-step by direct diode laser deposition (DLD) of nickel wire and copper powder as a combined feedstock. This work investigates whether dual powder feeds can be used in that process to afford greater geometric flexibility and compares attributes of the 'nickel wire and copper powder' and 'nickel powder and copper powder' processes for deposition on a H13 tool steel substrate. In wire-powder deposition, a higher temperature developed in the melt pool causing a clad with a smooth gradient structure. The nickel powder in powder-powder deposition did not impart much heat into the melt pool so the melt pool solidified with sharp composition boundaries due to single metal melting in some parts. In wire-powder experiments, a graded structure was obtained by varying the flow rates of wire and powder. However, a graded structure was not realised in powder-powder experiments by varying either the feed or the directions. Reasons for the differences and flow patterns in the melt pools and their effect on final part properties of parts produced are discussed.

Energetic additive manufacturing process with feed wire

DOEpatents

Harwell, Lane D.; Griffith, Michelle L.; Greene, Donald L.; Pressly, Gary A.

2000-11-07

A process for additive manufacture by energetic wire deposition is described. A source wire is fed into a energy beam generated melt-pool on a growth surface as the melt-pool moves over the growth surface. This process enables the rapid prototyping and manufacture of fully dense, near-net shape components, as well as cladding and welding processes. Alloys, graded materials, and other inhomogeneous materials can be grown using this process.

Location specific solidification microstructure control in electron beam melting of Ti-6Al-4V

DOE Office of Scientific and Technical Information (OSTI.GOV)

Narra, Sneha P.; Cunningham, Ross; Beuth, Jack

Relationships between prior beta grain size in solidified Ti-6Al-4V and melting process parameters in the Electron Beam Melting (EBM) process are investigated. Samples are built by varying a machine-dependent proprietary speed function to cover the process space. Optical microscopy is used to measure prior beta grain widths and assess the number of prior beta grains present in a melt pool in the raster region of the build. Despite the complicated evolution of beta grain sizes, the beta grain width scales with melt pool width. The resulting understanding of the relationship between primary machine variables and prior beta grain widths ismore » a key step toward enabling the location specific control of as-built microstructure in the EBM process. Control of grain width in separate specimens and within a single specimen is demonstrated.« less

Computational Process Modeling for Additive Manufacturing

NASA Technical Reports Server (NTRS)

Bagg, Stacey; Zhang, Wei

2014-01-01

Computational Process and Material Modeling of Powder Bed additive manufacturing of IN 718. Optimize material build parameters with reduced time and cost through modeling. Increase understanding of build properties. Increase reliability of builds. Decrease time to adoption of process for critical hardware. Potential to decrease post-build heat treatments. Conduct single-track and coupon builds at various build parameters. Record build parameter information and QM Meltpool data. Refine Applied Optimization powder bed AM process model using data. Report thermal modeling results. Conduct metallography of build samples. Calibrate STK models using metallography findings. Run STK models using AO thermal profiles and report STK modeling results. Validate modeling with additional build. Photodiode Intensity measurements highly linear with power input. Melt Pool Intensity highly correlated to Melt Pool Size. Melt Pool size and intensity increase with power. Applied Optimization will use data to develop powder bed additive manufacturing process model.

Simulation on the Effects of Surfactants and Observed Thermocapillary Motion for Laser Melting Physics

NASA Astrophysics Data System (ADS)

Nourgaliev, Robert; Barney, Rebecca; Weston, Brian; Delplanque, Jean-Pierre; McCallen, Rose

2017-11-01

A newly developed, robust, high-order in space and time, Newton-Krylov based reconstructed discontinuous Galerkin (rDG) method is used to model and analyze thermocapillary convection in melt pools. The application of interest is selective laser melting (SLM) which is an Additive Manufacturing (AM, 3D metal laser printing) process. These surface tension driven flows are influenced by temperature gradients and surfactants (impurities), and are known as the Marangoni flow. They have been experimentally observed in melt pools for welding applications, and are thought to influence the microstructure of the re-solidified material. We study the effects of the laser source configuration (power, beam size and scanning speed), as well as surfactant concentrations. Results indicate that the surfactant concentration influences the critical temperature, which governs the direction of the surface thermocapillary traction. When the surface tension traction changes sign, very complex flow patterns emerge, inducing hydrodynamic instability under certain conditions. These in turn would affect the melt pool size (depth) and shape, influencing the resulting microstructure, properties, and performance of a finished product part produced using 3D metal laser printing technologies. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Information management release number LLNL-ABS-735908.

Effects of shielding gas composition on arc profile and molten pool dynamics in gas metal arc welding of steels

NASA Astrophysics Data System (ADS)

Wang, L. L.; Lu, F. G.; Wang, H. P.; Murphy, A. B.; Tang, X. H.

2014-11-01

In gas metal arc welding, gases of different compositions are used to produce an arc plasma, which heats and melts the workpiece. They also protect the workpiece from the influence of the air during the welding process. This paper models gas metal arc welding (GMAW) processes using an in-house simulation code. It investigates the effects of the gas composition on the temperature distribution in the arc and on the molten pool dynamics in gas metal arc welding of steels. Pure argon, pure CO2 and different mixtures of argon and CO2 are considered in the study. The model is validated by comparing the calculated weld profiles with physical weld measurements. The numerical calculations reveal that gas composition greatly affects the arc temperature profile, heat transfer to the workpiece, and consequently the weld dimension. As the CO2 content in the shielding gas increases, a more constricted arc plasma with higher energy density is generated as a result of the increased current density in the arc centre and increased Lorentz force. The calculation also shows that the heat transferred from the arc to the workpiece increases with increasing CO2 content, resulting in a wider and deeper weld pool and decreased reinforcement height.

Microstructure and mechanical behavior of pulsed laser surface melted AISI D2 cold work tool steel

NASA Astrophysics Data System (ADS)

Yasavol, N.; Abdollah-zadeh, A.; Ganjali, M.; Alidokht, S. A.

2013-01-01

D2 cold work tool steel (CWTS) was subjected to pulse laser surface melting (PLSM) at constant frequency of 20 Hz Nd: YAG laser with different energies, scanning rate and pulse durations radiated to the surface. Characterizing the PLSM, with optical and field emission scanning electron microscopy, electron backscattered diffraction and surface hardness mapping technique was used to evaluate the microhardness and mechanical behavior of different regions of melting pool. Increasing laser energy and reducing the laser scanning rate results in deeper melt pool formation. Moreover, PLSM has led to entirely dissolution of the carbides and re-solidification of cellular/dendritic structure of a fine scale surrounded by a continuous interdendritic network. This caused an increase in surface microhardness, 2-4 times over that of the base metal.

Laser Cladding of Ti-6Al-4 V Powder on Ti-6Al-4 V Substrate: Effect of Laser Cladding Parameters on Microstructure

NASA Astrophysics Data System (ADS)

Cottam, Ryan; Brandt, Milan

The laser cladding of Ti-6Al-4 V powder on Ti-6Al-4 V substrate has been investigated to determine laser parameters that could be used as a repair technology for Ti-6Al-4 V components. The parameters chosen for the investigation were developed by an analytical laser cladding model. Holding clad height and melt pool depth constant, the traversing speed was varied between 300 mm/min and 1500 mm/min, an associated power for the given speed was calculated by the model. Two different melt pool depths were used in the calculation of laser power for a given process velocity. The resulting microstructures in the clad zone varied from a relatively thin martensitic structure to a dendritic/thick martensitic structure. The heat affected zone (HAZ) showed a refinement of the Widmanstatten microstructure with a decreasing laser traversing speed and a coarser martensitic structure for the sample prepared with a deeper melt pool.

Predicting Global Rates and Distribution of Carbonate Melting Beneath the Ocean Basins: Implications for the Origin of the Gutenberg Discontinuity

NASA Astrophysics Data System (ADS)

Clerc, F.; Behn, M. D.; Parmentier, E. M.

2017-12-01

The pooling of carbonate melts beneath old ocean lithosphere is a proposed explanation for the seismic Gutenberg (G) discontinuity. However, while the G discontinuity is observed ubiquitously across the ocean basins, carbonate melting only occurs in regions of mantle upwelling. Here we examine the global distribution and extent of carbonate melting by coupling a mantle flow model with a thermodynamic parameterization for carbonate melting. We obtain global upwelling velocities from a convection model driven by plate motions and mantle density differences [1], and calculate melt fractions from the R_DMC carbonate solidus [2]. We find low-degree carbonate melts are produced pervasively throughout ocean basins, driven by passive upwelling in response to subduction. Assuming melt formed within 100 km of the ridge is focused to its axis, our model predicts a 6-km thick oceanic crust and a global CO2 ridge flux of 7 x 1011 mol/yr (for a mantle source concentration of 100 ppm CO2). This flux is consistent with other estimates of CO2 ridge fluxes [e.g.,3] over the inferred range of MORB-source mantle carbon concentrations [e.g.,4]. In addition to the ridge flux, off-axis carbonate melting results in a global CO2 flux of 1.6 x 1012mol/yr. To test for correlations between regions of upwelling-induced carbonate melting and seismic evidence for the LAB, we compare our results with a compilation of seismic G discontinuity observations [5]. While most observations of the G discontinuity are found in regions of predicted carbonate melting, some lie in regions of downwelling (where no melting occurs), suggesting that melt pooling does not conclusively explain these seismic signals. Further, we estimate off-axis porosities to be < 0.1%, indicating that the melt remaining in the mantle does not contribute substantially to a discontinuity of the observed magnitude. Carbonate melts pooled at the base of the lithosphere may refreeze within the thermal boundary layer and refertilize the lithosphere. We model the trace element compositions of these enriched melts and compare them with geochemical data from enriched mantle sources, such as petit-spot melts [e.g.,6]. [1] Naliboff et al., GRL, 2009; [2] Keller & Katz, J Pet, 2016; [3] Chavrit et al., EPSL, 2014; [4] Rosenthal et al., EPSL, 2015; [5] Schmerr, Sci, 2012; [6] Machida et al., EPSL, 2015

Nonstationary plasma-thermo-fluid dynamics and transition in processes of deep penetration laser beam-matter interaction

NASA Astrophysics Data System (ADS)

Golubev, Vladimir S.; Banishev, Alexander F.; Azharonok, V. V.; Zabelin, Alexandre M.

1994-09-01

A qualitative analysis of the role of some hydrodynamic flows and instabilities by the process of laser beam-metal sample deep penetration interaction is presented. The forces of vapor pressure, melt surface tension and thermocapillary forces can determined a number of oscillatory and nonstationary phenomena in keyhole and weld pool. Dynamics of keyhole formation in metal plates has been studied under laser beam pulse effect ((lambda) equals 1.06 micrometers ). Velocities of the keyhole bottom motion have been determined at 0.5 X 105 - 106 W/cm2 laser power densities. Oscillatory regime of plate break- down has been found out. Small-dimensional structures with d-(lambda) period was found on the frozen cavity walls, which, in our opinion, can contribute significantly to laser beam absorption. A new form of periodic structure on the frozen pattern being a helix-shaped modulation of the keyhole walls and bottom relief has been revealed. Temperature oscillations related to capillary oscillations in the melt layer were discovered in the cavity. Interaction of the CW CO2 laser beam and the matter by beam penetration into a moving metal sample has been studied. The pulsed and thermodynamic parameters of the surface plasma were investigated by optical and spectroscopic methods. The frequencies of plasma jets pulsations (in 10 - 105 Hz range) are related to possible melt surface instabilities of the keyhole.

Investigation on Selective Laser Melting AlSi10Mg Cellular Lattice Strut: Molten Pool Morphology, Surface Roughness and Dimensional Accuracy

PubMed Central

Han, Xuesong; Zhu, Haihong; Nie, Xiaojia; Wang, Guoqing; Zeng, Xiaoyan

2018-01-01

AlSi10Mg inclined struts with angle of 45° were fabricated by selective laser melting (SLM) using different scanning speed and hatch spacing to gain insight into the evolution of the molten pool morphology, surface roughness, and dimensional accuracy. The results show that the average width and depth of the molten pool, the lower surface roughness and dimensional deviation decrease with the increase of scanning speed and hatch spacing. The upper surface roughness is found to be almost constant under different processing parameters. The width and depth of the molten pool on powder-supported zone are larger than that of the molten pool on the solid-supported zone, while the width changes more significantly than that of depth. However, if the scanning speed is high enough, the width and depth of the molten pool and the lower surface roughness almost keep constant as the density is still high. Therefore, high dimensional accuracy and density as well as good surface quality can be achieved simultaneously by using high scanning speed during SLMed cellular lattice strut. PMID:29518900

Dynamical consequences of mantle heterogeneity in two-phase models of mid-ocean ridges

NASA Astrophysics Data System (ADS)

Katz, R. F.

2010-12-01

The mid-ocean ridge system, over 50,000 km in length, samples the magmatic products of a large swath of the asthenosphere. It provides our best means to assess the heterogeneity structure of the upper mantle. Interpretation of the diverse array of observations of MOR petrology, geochemistry, tomography, etc requires models that can map heterogeneity structure onto predictions testable by comparison with these observations. I report on progress to this end; in particular, I describe numerical models of coupled magma/mantle dynamics at mid-ocean ridges [1,2]. These models incorporate heterogeneity in terms of a simple, two-component thermochemical system with specified amplitude and spatial distribution. They indicate that mantle heterogeneity has significant fluid-dynamical consequences for both mantle and magmatic flow. Models show that the distribution of enrichment can lead to asymmetry in the strength of upwelling across the ridge-axis and channelised magmatic transport to the axis. Furthermore, heterogeneity can cause off-axis upwelling of partially molten diapirs, trapping of enriched melts off-axis, and re-fertilization of the mantle by pooled and refrozen melts. Predicted consequences of geochemical heterogeneity may also be considered. References: [1] Katz, RF, (2008); Magma dynamics with the Enthalpy Method: Benchmark Solutions and Magmatic Focusing at Mid-ocean Ridges. Journal of Petrology, doi: 10.1093/petrology/egn058. [2] Katz RF, (2010); Porosity-driven convection and asymmetry beneath mid-ocean ridges. Submitted to G3.

Gasification of black liquor

DOEpatents

Kohl, A.L.

1987-07-28

A concentrated aqueous black liquor containing carbonaceous material and alkali metal sulfur compounds is treated in a gasifier vessel containing a relatively shallow molten salt pool at its bottom to form a combustible gas and a sulfide-rich melt. The gasifier vessel, which is preferably pressurized, has a black liquor drying zone at its upper part, a black liquor solids gasification zone located below the drying zone, and a molten salt sulfur reduction zone which comprises the molten salt pool. A first portion of an oxygen-containing gas is introduced into the gas space in the gasification zone immediately above the molten salt pool. The remainder of the oxygen-containing gas is introduced into the molten salt pool in an amount sufficient to cause gasification of carbonaceous material entering the pool from the gasification zone but not sufficient to create oxidizing conditions in the pool. The total amount of the oxygen-containing gas introduced both above the pool and into the pool constitutes between 25 and 55% of the amount required for complete combustion of the black liquor feed. A combustible gas is withdrawn from an upper portion of the drying zone, and a melt in which the sulfur content is predominantly in the form of alkali metal sulfide is withdrawn from the molten salt sulfur reduction zone. 2 figs.

Gasification of black liquor

DOEpatents

Kohl, Arthur L.

1987-07-28

A concentrated aqueous black liquor containing carbonaceous material and alkali metal sulfur compounds is treated in a gasifier vessel containing a relatively shallow molten salt pool at its bottom to form a combustible gas and a sulfide-rich melt. The gasifier vessel, which is preferably pressurized, has a black liquor drying zone at its upper part, a black liquor solids gasification zone located below the drying zone, and a molten salt sulfur reduction zone which comprises the molten salt pool. A first portion of an oxygen-containing gas is introduced into the gas space in the gasification zone immediatley above the molten salt pool. The remainder of the oxygen-containing gas is introduced into the molten salt pool in an amount sufficient to cause gasification of carbonaceous material entering the pool from the gasification zone but not sufficient to create oxidizing conditions in the pool. The total amount of the oxygen-containing gas introduced both above the pool and into the pool constitutes between 25 and 55% of the amount required for complete combustion of the black liquor feed. A combustible gas is withdrawn from an upper portion of the drying zone, and a melt in which the sulfur content is predominantly in the form of alkali metal sulfide is withdrawn from the molten salt sulfur reduction zone.

Method and apparatus for melting glass batch

DOEpatents

Fassbender, Alexander G.; Walkup, Paul C.; Mudge, Lyle K.

1988-01-01

A glass melting system involving preheating, precalcining, and prefluxing of batch materials prior to injection into a glass furnace. The precursors are heated by convection rather than by radiation in present furnaces. Upon injection into the furnace, batch materials are intimately coated with molten flux so as to undergo or at least begin the process of dissolution reaction prior to entering the melt pool.

Tektites: Origin as melts produced by the impact of small projectiles onto dry targets

NASA Technical Reports Server (NTRS)

Wasson, John T.

1988-01-01

The formation of tektites in general and layered tektites in particular seems to require a very special kind of cratering event. Evidence for the formation of pools of melt free of unmelted clasts has not been reported for the well-studied terrestrial craters such as Manicouagan or Ries. It is suggested that large amounts of relict-free melt were produced only when a sizeable fraction of the cratered target consisted of dry, high-porosity materials such as aeolian sediments. Since dry, high-porosity target materials are always confined to the outer 100 to 200 m of the Earth, the fraction of melt produced melt is probably higher in small (radius 50 to 500 m) craters than in large (r greater than 1 km) craters. Another reason to infer that the Southeast Asian tektites were produced in a multitude of small craters is the wide distribution of layered tektites. The file spans at least 1200 km, which would require ballistic ejection at velocities greater than 2 km s(-1) if all melt was generated in a single crater. It seems impossible to devise a scenario that would lead to the deposition of primary melt as a crystal-free pool at a distance of 600 km from the crater.

Melt-Pool Temperature and Size Measurement During Direct Laser Sintering

DOE Office of Scientific and Technical Information (OSTI.GOV)

List, III, Frederick Alyious; Dinwiddie, Ralph Barton; Carver, Keith

2017-08-01

Additive manufacturing has demonstrated the ability to fabricate complex geometries and components not possible with conventional casting and machining. In many cases, industry has demonstrated the ability to fabricate complex geometries with improved efficiency and performance. However, qualification and certification of processes is challenging, leaving companies to focus on certification of material though design allowable based approaches. This significantly reduces the business case for additive manufacturing. Therefore, real time monitoring of the melt pool can be used to detect the development of flaws, such as porosity or un-sintered powder and aid in the certification process. Characteristics of the melt poolmore » in the Direct Laser Sintering (DLS) process is also of great interest to modelers who are developing simulation models needed to improve and perfect the DLS process. Such models could provide a means to rapidly develop the optimum processing parameters for new alloy powders and optimize processing parameters for specific part geometries. Stratonics’ ThermaViz system will be integrated with the Renishaw DLS system in order to demonstrate its ability to measure melt pool size, shape and temperature. These results will be compared with data from an existing IR camera to determine the best approach for the determination of these critical parameters.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tammas-Williams, S., E-mail: Samuel.tammas-wiliams@manchester.ac.uk; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD; Zhao, H.

Selective Electron Beam Melting (SEBM) is a promising powder bed Additive Manufacturing technique for near-net-shape manufacture of high-value titanium components. However without post-manufacture HIPing the fatigue life of SEBM parts is currently dominated by the presence of porosity. In this study, the size, volume fraction, and spatial distribution of the pores in model samples have been characterised in 3D, using X-ray Computed Tomography, and correlated to the process variables. The average volume fraction of the pores (< 0.2%) was measured to be lower than that usually observed in competing processes, such as selective laser melting, but a strong relationship wasmore » found with the different beam strategies used to contour, and infill by hatching, a part section. The majority of pores were found to be small spherical gas pores, concentrated in the infill hatched region; this was attributed to the lower energy density and less focused beam used in the infill strategy allowing less opportunity for gas bubbles to escape the melt pool. Overall, increasing the energy density or focus of the beam was found to correlate strongly to a reduction in the level of gas porosity. Rarer irregular shaped pores were mostly located in the contour region and have been attributed to a lack of fusion between powder particles. - Graphical abstract: Display Omitted - Highlights: • Vast majority of defects detected were small spherical gas pores. • Gas bubbles trapped in the powder granules expand and coalesce in the melt pool. • Pores have been shown not to be randomly distributed. • Larger and deeper melt pools give more opportunity for gas to escape. • Minor changes to melt strategy result in significant reductions in pore population.« less

Rational position of a plasmatron and energy saving in a plasma-arc steel-melting furnace

NASA Astrophysics Data System (ADS)

Makarov, A. N.; Zuikov, R. M.; Lugovoi, Yu. A.

2009-12-01

The rational position of a plasmatron in a plasma-arc steel-melting furnace is studied analytically. The rational position by the end of melting of a charge and after its melting is found to be the position of a plasmatron at an angle of 70 °-75 ° to the vertical axis. As compared to the roof position of the plasmatron, this position increases arc radiation onto the metal pool and the arc efficiency increases by 40-60%.

Analysis of Cloud-resolving Simulations of a Tropical Mesoscale Convective System Observed during TWP-ICE: Vertical Fluxes and Draft Properties in Convective and Stratiform Regions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mrowiec, Agnieszka A.; Rio, Catherine; Fridlind, Ann

2012-10-02

We analyze three cloud-resolving model simulations of a strong convective event observed during the TWP-ICE campaign, differing in dynamical core, microphysical scheme or both. Based on simulated and observed radar reflectivity, simulations roughly reproduce observed convective and stratiform precipitating areas. To identify the characteristics of convective and stratiform drafts that are difficult to observe but relevant to climate model parameterization, independent vertical wind speed thresholds are calculated to capture 90% of total convective and stratiform updraft and downdraft mass fluxes. Convective updrafts are fairly consistent across simulations (likely owing to fixed large-scale forcings and surface conditions), except that hydrometeor loadingsmore » differ substantially. Convective downdraft and stratiform updraft and downdraft mass fluxes vary notably below the melting level, but share similar vertically uniform draft velocities despite differing hydrometeor loadings. All identified convective and stratiform downdrafts contain precipitation below ~10 km and nearly all updrafts are cloudy above the melting level. Cold pool properties diverge substantially in a manner that is consistent with convective downdraft mass flux differences below the melting level. Despite differences in hydrometeor loadings and cold pool properties, convective updraft and downdraft mass fluxes are linearly correlated with convective area, the ratio of ice in downdrafts to that in updrafts is ~0.5 independent of species, and the ratio of downdraft to updraft mass flux is ~0.5-0.6, which may represent a minimum evaporation efficiency under moist conditions. Hydrometeor loading in stratiform regions is found to be a fraction of hydrometeor loading in convective regions that ranges from ~10% (graupel) to ~90% (cloud ice). These findings may lead to improved convection parameterizations.« less

Role of melt behavior in modifying oxidation distribution using an interface incorporated model in selective laser melting of aluminum-based material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gu, Dongdong, E-mail: dongdonggu@nuaa.edu.cn; Dai, Donghua; Institute of Additive Manufacturing

2016-08-28

A transient three dimensional model for describing the molten pool dynamics and the response of oxidation film evolution in the selective laser melting of aluminum-based material is proposed. The physical difference in both sides of the scan track, powder-solid transformation and temperature dependent physical properties are taken into account. It shows that the heat energy tends to accumulate in the powder material rather than in the as-fabricated part, leading to the formation of the asymmetrical patterns of the temperature contour and the attendant larger dimensions of the molten pool in the powder phase. As a higher volumetric energy density ismore » applied (≥1300 J/mm{sup 3}), a severe evaporation is produced with the upward direction of velocity vector in the irradiated powder region while a restricted operating temperature is obtained in the as-fabricated part. The velocity vector continuously changes from upward direction to the downward one as the scan speed increases from 100 mm/s to 300 mm/s, promoting the generation of the debris of the oxidation films and the resultant homogeneous distribution state in the matrix. For the applied hatch spacing of 50 μm, a restricted remelting phenomenon of the as-fabricated part is produced with the upward direction of the convection flow, significantly reducing the turbulence of the thermal-capillary convection on the breaking of the oxidation films, and therefore, the connected oxidation films through the neighboring layers are typically formed. The morphology and distribution of the oxidation are experimentally acquired, which are in a good agreement with the results predicted by simulation.« less

NASA Science Flights Target Melting Arctic Sea Ice

NASA Image and Video Library

2017-12-08

This summer, with sea ice across the Arctic Ocean shrinking to below-average levels, a NASA airborne survey of polar ice just completed its first flights. Its target: aquamarine pools of melt water on the ice surface that may be accelerating the overall sea ice retreat. NASA’s Operation IceBridge completed the first research flight of its new 2016 Arctic summer campaign on July 13. The science flights, which continue through July 25, are collecting data on sea ice in a year following a record-warm winter in the Arctic. Read more: go.nasa.gov/29T6mxc Caption: A large pool of melt water over sea ice, as seen from an Operation IceBridge flight over the Beaufort Sea on July 14, 2016. During this summer campaign, IceBridge will map the extent, frequency and depth of melt ponds like these to help scientists forecast the Arctic sea ice yearly minimum extent in September. Credit: NASA/Operation IceBridge

High resolution mapping of riffle-pool dynamics based on ADCP and close-range remote sensing data

NASA Astrophysics Data System (ADS)

Salmela, Jouni; Kasvi, Elina; Alho, Petteri

2017-04-01

Present development of mobile laser scanning (MLS) and close-range photogrammetry with unmanned aerial vehicle (UAV) enable us to create seamless digital elevation models (DEMs) of the riverine environment. Remote-controlled flow measurement platforms have also improved spatio-temporal resolution of the flow field data. In this study, acoustic Doppler current profiler (ADCP) attached to remote-controlled mini-boat, UAV-based bathymetry and MLS techniques were utilized to create the high-resolution DEMs of the river channel. These high-resolution measurements can be used in many fluvial applications such as computational fluid dynamics, channel change detection, habitat mapping or hydro-electric power plant planning. In this study we aim: 1) to analyze morphological changes of river channel especially riffle and pool formations based on fine-scale DEMs and ADCP measurements, 2) to analyze flow fields and their effect on morphological changes. The interest was mainly focused on reach-scale riffle-pool dynamics within two-year period of 2013 and 2014. The study was performed in sub-arctic meandering Pulmankijoki River located in Northern Finland. The river itself has shallow and clear water and sandy bed sediment. Discharge remains typically below 10 m3s-1 most of the year but during snow melt period in spring the discharge may exceed 70 m3s-1. We compared DEMs and ADCP measurements to understand both magnitude and spatio-temporal change of the river bed. Models were accurate enough to study bed form changes and locations and persistence of riffles and pools. We analyzed their locations with relation to flow during the peak and low discharge. Our demonstrated method has improved significantly spatio-temporal resolution of riverine DEMs compared to other cross-sectional and photogrammetry based models. Together with flow field measurements we gained better understanding of riverbed-water interaction

High Power Laser Beam Welding of Thick-walled Ferromagnetic Steels with Electromagnetic Weld Pool Support

NASA Astrophysics Data System (ADS)

Fritzsche, André; Avilov, Vjaceslav; Gumenyuk, Andrey; Hilgenberg, Kai; Rethmeier, Michael

The development of modern high power laser systems allows single pass welding of thick-walled components with minimal distortion. Besides the high demands on the joint preparation, the hydrostatic pressure in the melt pool increases with higher plate thicknesses. Reaching or exceeding the Laplace pressure, drop-out or melt sagging are caused. A contactless electromagnetic weld support system was used for laser beam welding of thick ferromagnetic steel plates compensating these effects. An oscillating magnetic field induces eddy currents in the weld pool which generate Lorentz forces counteracting the gravity forces. Hysteresis effects of ferromagnetic steels are considered as well as the loss of magnetization in zones exceeding the Curie temperature. These phenomena reduce the effective Lorentz forces within the weld pool. The successful compensation of the hydrostatic pressure was demonstrated on up to 20 mm thick plates of duplex and mild steel by a variation of the electromagnetic power level and the oscillation frequency.

Hot-wire Laser Welding of Deep and Wide Gaps

NASA Astrophysics Data System (ADS)

Näsström, J.; Frostevarg, J.; Silver, T.

Heavy section Gas Metal Arc Welding (GMAW) usually requires special edge preparation and several passes. One alternative for increased performance is Laser Arc Hybrid Welding (LAHW). For very thick sheets however, imperfections like root drops or solidification cracks can occur. In this study, other techniques are also studied, including multi-pass filling of deep gaps with wire deposition. A laser is then used to melt the filler and base material. The hot- and cold wire laser welding processes are highly sensitive to wire-laser positioning, where controlled melting of the wire is essential. Apart from a comprehensive literature survey, preliminary experiments were also performed in order to find a novel method variant that can successfully fill deep and wide gaps. The method applied uses a defocused laser that generates the melt pool. A resistance heated wire is fed into the melt pool front in a leading position. This is similar to additive manufacturing techniques such as laser direct metal deposition with wire. A layer height of several millimeters can be achieved and rather low laser power can be chosen. The preliminary experiments were observed using high speed imaging and briefly evaluated by visual examination of the resulting beads. Using a defocused laser beam turned out to have two major advantages; 1. It adds heat to the melt pool in a manner that properly fuses the bottom and walls of the base material. 2. It counteracts difficulties due to an irregularly oscillating filler wire. These early results show that this can be a promising technique for joining thick steels with wide gaps.

Experimental study on flowing burning behaviors of a pool fire with dripping of melted thermoplastics.

PubMed

Xie, Qiyuan; Tu, Ran; Wang, Nan; Ma, Xin; Jiang, Xi

2014-02-28

The objective of this work is to quantitatively investigate the dripping-burning and flowing fire of thermoplastics. A new experimental setup is developed with a heating vessel and a T-trough. Hot thermoplastic liquids are generated in the vessel by electric heating. N2 gas is continuously injected into the vessel to avoid a sudden ignition of fuel in it. The detailed flowing burning behaviors of pool fire in the T-trough are analyzed through the measurements of the mass, heat flux and temperatures etc. The experimental results suggest that a continuous dripping of melted thermoplastic liquids in a nearly constant mass rate can be successfully made in the new setup. It also shows that the mass dripping rate of melted PS liquid is smaller than PP and PE since its large viscosity. In addition, the flame spread velocities of hot liquids of PS in the T-trough are also smaller than that of PP and PE because of its large viscosity. The mass burning rate of the PP and PE pool fire in T-trough are smaller than PS. Finally, considering the heating, melting, dripping and flowing burning behaviors of these polymers, it is suggested that the fire hazard of PE and PP are obviously higher than PS for their faster flowing burning. Copyright © 2013 Elsevier B.V. All rights reserved.

Investigation into the Use of the Concept Laser QM System as an In-Situ Research and Evaluation Tool

NASA Technical Reports Server (NTRS)

Bagg, Stacey

2014-01-01

The NASA Marshall Space Flight Center (MSFC) is using a Concept Laser Fusing (Cusing) M2 powder bed additive manufacturing system for the build of space flight prototypes and hardware. NASA MSFC is collecting and analyzing data from the M2 QM Meltpool and QM Coating systems for builds. This data is intended to aide in understanding of the powder-bed additive manufacturing process, and in the development of a thermal model for the process. The QM systems are marketed by Concept Laser GmbH as in-situ quality management modules. The QM Meltpool system uses both a high-speed near-IR camera and a photodiode to monitor the melt pool generated by the laser. The software determines from the camera images the size of the melt pool. The camera also measures the integrated intensity of the IR radiation, and the photodiode gives an intensity value based on the brightness of the melt pool. The QM coating system uses a high resolution optical camera to image the surface after each layer has been formed. The objective of this investigation was to determine the adequacy of the QM Meltpool system as a research instrument for in-situ measurement of melt pool size and temperature and its applicability to NASA's objectives in (1) Developing a process thermal model and (2) Quantifying feedback measurements with the intent of meeting quality requirements or specifications. Note that Concept Laser markets the system only as capable of giving an indication of changes between builds, not as an in-situ research and evaluation tool. A secondary objective of the investigation is to determine the adequacy of the QM Coating system as an in-situ layer-wise geometry and layer quality evaluation tool.

Early metal-silicate differentiation during planetesimal formation revealed by acapulcoite and lodranite meteorites

NASA Astrophysics Data System (ADS)

Dhaliwal, Jasmeet K.; Day, James M. D.; Corder, Christopher A.; Tait, Kim T.; Marti, Kurt; Assayag, Nelly; Cartigny, Pierre; Rumble, Doug; Taylor, Lawrence A.

2017-11-01

In order to establish the role and expression of silicate-metal fractionation in early planetesimal bodies, we have conducted a highly siderophile element (HSE: Os, Ir, Ru, Pt, Pd, Re) abundance and 187Re-187Os study of acapulcoite-lodranite meteorites. These data are reported with new petrography, mineral chemistry, bulk-rock major and trace element geochemistry, and oxygen isotopes for Acapulco, Allan Hills (ALHA) 81187, Meteorite Hills (MET) 01195, Northwest Africa (NWA) 2871, NWA 4833, NWA 4875, NWA 7474 and two examples of transitional acapulcoite-lodranites, Elephant Moraine (EET) 84302 and Graves Nunataks (GRA) 95209. These data support previous studies that indicate that these meteorites are linked to the same parent body and exhibit limited degrees (<2-7%) of silicate melt removal. New HSE and osmium isotope data demonstrate broadly chondritic relative and absolute abundances of these elements in acapulcoites, lower absolute abundances in lodranites and elevated (>2 × CI chondrite) HSE abundances in transitional acapulcoite-lodranite meteorites (EET 84302, GRA 95209). All of the meteorites have chondritic Re/Os with measured 187Os/188Os ratios of 0.1271 ± 0.0040 (2 St. Dev.). These geochemical characteristics imply that the precursor material of the acapulcoites and lodranites was broadly chondritic in composition, and were then heated and subject to melting of metal and sulfide in the Fe-Ni-S system. This resulted in metallic melt removal and accumulation to form lodranites and transitional acapulcoite-lodranites. There is considerable variation in the absolute abundances of the HSE, both among samples and between aliquots of the same sample, consistent with both inhomogeneous distribution of HSE-rich metal, and of heterogeneous melting and incomplete mixing of silicate material within the acapulcoite-lodranite parent body. Oxygen isotope data for acapulcoite-lodranites are also consistent with inhomogeneous melting and mixing of accreted components from different nebular sources, and do not form a well-defined mass-dependent fractionation line. Modeling of HSE inter-element fractionation suggests a continuum of melting in the Fe-Ni-S system and partitioning between solid metal and sulfur-bearing mineral melt, where lower S contents in the melt resulted in lower Pt/Os and Pd/Os ratios, as observed in lodranites. The transitional meteorites, EET 84302 and GRA 95209, exhibit the most elevated HSE abundances and do not follow modelled Pt/Os and Pd/Os solid metal-liquid metal partitioning trends. We interpret this to reflect metal melt pooling into domains that were sampled by these meteorites, suggesting that they may originate from deeper within the acapulcoite-lodranite parent body, perhaps close to a pooled metallic 'core' region. Petrographic examination of transitional samples reveals the most extensive melting, pooling and networking of metal among the acapulcoite-lodranite meteorites. Overall, our results show that solid metal-liquid metal partitioning in the Fe-Ni-S system in primitive achondrites follows a predictable sequence of limited partial melting and metal melt pooling that can lead to significant HSE inter-element fractionation effects in proto-planetary materials.

Quenching behavior of molten pool with different strategies – A review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shrikant,, E-mail: 2014rmt9018@mnit.ac.in; Pandel, U.; Duchaniya, R. K.

After the major severe accident in nuclear reactor, there has been lot of concerns regarding long term core melt stabilization following a severe accident in nuclear reactors. Numerous strategies have been though for quenching and stabilization of core melt like top flooding, bottom flooding, indirect cooling, etc. However, the effectiveness of these schemes is yet to be determined properly, for which, lot of experiments are needed. Several experiments have been performed for coolability of melt pool under bottom flooding as well as for indirect cooling. Besides these tests are very scattered because they involve different simulants material initial temperatures andmore » masses of melt, which makes it very complex to judge the effectiveness of a particular technique and advantage over the other. In this review paper, a study has been carried on different cooling techniques of simulant materials with same mass. Three techniques have been compared here and the results are discussed. Under top flooding technique it took several hours to cool the melt under without decay heat condition. In bottom flooding technique was found to be the best technique among in indirect cooling technique, top flooded technique, and bottom flooded technique.« less

Redox Control For Hanford HLW Feeds VSL-12R2530-1, REV 0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kruger, A. A.; Matlack, Keith S.; Pegg, Ian L.

2012-12-13

The principal objectives of this work were to investigate the effects of processing simulated Hanford HLW at the estimated maximum concentrations of nitrates and oxalates and to identify strategies to mitigate any processing issues resulting from high concentrations of nitrates and oxalates. This report provides results for a series of tests that were performed on the DM10 melter system with simulated C-106/AY-102 HLW. The tests employed simulated HLW feeds containing variable amounts of nitrates and waste organic compounds corresponding to maximum concentrations proj ected for Hanford HLW streams in order to determine their effects on glass production rate, processing characteristics,more » glass redox conditions, melt pool foaming, and the tendency to form secondary phases. Such melter tests provide information on key process factors such as feed processing behavior, dynamic effects during processing, processing rates, off-gas amounts and compositions, foaming control, etc., that cannot be reliably obtained from crucible melts.« less

Simulation based optimized beam velocity in additive manufacturing

NASA Astrophysics Data System (ADS)

Vignat, Frédéric; Béraud, Nicolas; Villeneuve, François

2017-08-01

Manufacturing good parts with additive technologies rely on melt pool dimension and temperature and are controlled by manufacturing strategies often decided on machine side. Strategies are built on beam path and variable energy input. Beam path are often a mix of contour and hatching strategies filling the contours at each slice. Energy input depend on beam intensity and speed and is determined from simple thermal models to control melt pool dimensions and temperature and ensure porosity free material. These models take into account variation in thermal environment such as overhanging surfaces or back and forth hatching path. However not all the situations are correctly handled and precision is limited. This paper proposes new method to determine energy input from full built chamber 3D thermal simulation. Using the results of the simulation, energy is modified to keep melt pool temperature in a predetermined range. The paper present first an experimental method to determine the optimal range of temperature. In a second part the method to optimize the beam speed from the simulation results is presented. Finally, the optimized beam path is tested in the EBM machine and built part are compared with part built with ordinary beam path.

The self-secondary crater population of the Hokusai crater on Mercury

NASA Astrophysics Data System (ADS)

Xiao, Zhiyong; Prieur, Nils C.; Werner, Stephanie C.

2016-07-01

Whether or not self-secondaries dominate small crater populations on continuous ejecta deposits and floors of fresh impact craters has long been a controversy. This issue potentially affects the age determination technique using crater statistics. Here the self-secondary crater population on the continuous ejecta deposits of the Hokusai crater on Mercury is unambiguously recognized. Superposition relationships show that this population was emplaced after both the ballistic sedimentation of excavation flows and the subsequent veneering of impact melt, but it predated the settlement and solidification of melt pools on the crater floor. Fragments that formed self-secondaries were launched via impact spallation with large angles. Complex craters on the Moon, Mercury, and Mars probably all have formed self-secondaries populations. Dating young craters using crater statistics on their continuous ejecta deposits can be misleading. Impact melt pools are less affected by self-secondaries. Overprint by subsequent crater populations with time reduces the predominance of self-secondaries.

Numerical simulation of heat transfer and fluid flow in laser drilling of metals

NASA Astrophysics Data System (ADS)

Zhang, Tingzhong; Ni, Chenyin; Zhou, Jie; Zhang, Hongchao; Shen, Zhonghua; Ni, Xiaowu; Lu, Jian

2015-05-01

Laser processing as laser drilling, laser welding and laser cutting, etc. is rather important in modern manufacture, and the interaction of laser and matter is a complex phenomenon which should be detailed studied in order to increase the manufacture efficiency and quality. In this paper, a two-dimensional transient numerical model was developed to study the temperature field and molten pool size during pulsed laser keyhole drilling. The volume-of-fluid method was employed to track free surfaces, and melting and evaporation enthalpy, recoil pressure, surface tension, and energy loss due to evaporating materials were considered in this model. Besides, the enthalpy-porosity technique was also applied to account for the latent heat during melting and solidification. Temperature fields and melt pool size were numerically simulated via finite element method. Moreover, the effectiveness of the developed computational procedure had been confirmed by experiments.

Rate limits in silicon sheet growth - The connections between vertical and horizontal methods

NASA Technical Reports Server (NTRS)

Thomas, Paul D.; Brown, Robert A.

1987-01-01

Meniscus-defined techniques for the growth of thin silicon sheets fall into two categories: vertical and horizontal growth. The interactions of the temperature field and the crystal shape are analyzed for both methods using two-dimensional finite-element models which include heat transfer and capillarity. Heat transfer in vertical growth systems is dominated by conduction in the melt and the crystal, with almost flat melt/crystal interfaces that are perpendicular to the direction of growth. The high axial temperature gradients characteristic of vertical growth lead to high thermal stresses. The maximum growth rate is also limited by capillarity which can restrict the conduction of heat from the melt into the crystal. In horizontal growth the melt/crystal interface stretches across the surface of the melt pool many times the crystal thickness, and low growth rates are achievable with careful temperature control. With a moderate axial temperature gradient in the sheet a substantial portion of the latent heat conducts along the sheet and the surface of the melt pool becomes supercooled, leading to dendritic growth. The thermal supercooling is surpressed by lowering the axial gradient in the crystal; this configuration is the most desirable for the growth of high quality crystals. An expression derived from scaling analysis relating the growth rate and the crucible temperature is shown to be reliable for horizontal growth.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raghavan, Narendran; Simunovic, Srdjan; Dehoff, Ryan

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 ofmore » 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 (>104 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.« less

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

NASA Astrophysics Data System (ADS)

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.

Estimates of ikaite export from sea ice to the underlying seawater in a sea ice-seawater mesocosm

NASA Astrophysics Data System (ADS)

Geilfus, Nicolas-Xavier; Galley, Ryan J.; Else, Brent G. T.; Campbell, Karley; Papakyriakou, Tim; Crabeck, Odile; Lemes, Marcos; Delille, Bruno; Rysgaard, Søren

2016-09-01

The precipitation of ikaite and its fate within sea ice is still poorly understood. We quantify temporal inorganic carbon dynamics in sea ice from initial formation to its melt in a sea ice-seawater mesocosm pool from 11 to 29 January 2013. Based on measurements of total alkalinity (TA) and total dissolved inorganic carbon (TCO2), the main processes affecting inorganic carbon dynamics within sea ice were ikaite precipitation and CO2 exchange with the atmosphere. In the underlying seawater, the dissolution of ikaite was the main process affecting inorganic carbon dynamics. Sea ice acted as an active layer, releasing CO2 to the atmosphere during the growth phase, taking up CO2 as it melted and exporting both ikaite and TCO2 into the underlying seawater during the whole experiment. Ikaite precipitation of up to 167 µmol kg-1 within sea ice was estimated, while its export and dissolution into the underlying seawater was responsible for a TA increase of 64-66 µmol kg-1 in the water column. The export of TCO2 from sea ice to the water column increased the underlying seawater TCO2 by 43.5 µmol kg-1, suggesting that almost all of the TCO2 that left the sea ice was exported to the underlying seawater. The export of ikaite from the ice to the underlying seawater was associated with brine rejection during sea ice growth, increased vertical connectivity in sea ice due to the upward percolation of seawater and meltwater flushing during sea ice melt. Based on the change in TA in the water column around the onset of sea ice melt, more than half of the total ikaite precipitated in the ice during sea ice growth was still contained in the ice when the sea ice began to melt. Ikaite crystal dissolution in the water column kept the seawater pCO2 undersaturated with respect to the atmosphere in spite of increased salinity, TA and TCO2 associated with sea ice growth. Results indicate that ikaite export from sea ice and its dissolution in the underlying seawater can potentially hamper the effect of oceanic acidification on the aragonite saturation state (Ωaragonite) in fall and in winter in ice-covered areas, at the time when Ωaragonite is smallest.

Comprehensive analysis of correlation coefficients estimated from pooling heterogeneous microarray data

PubMed Central

2013-01-01

Background The synthesis of information across microarray studies has been performed by combining statistical results of individual studies (as in a mosaic), or by combining data from multiple studies into a large pool to be analyzed as a single data set (as in a melting pot of data). Specific issues relating to data heterogeneity across microarray studies, such as differences within and between labs or differences among experimental conditions, could lead to equivocal results in a melting pot approach. Results We applied statistical theory to determine the specific effect of different means and heteroskedasticity across 19 groups of microarray data on the sign and magnitude of gene-to-gene Pearson correlation coefficients obtained from the pool of 19 groups. We quantified the biases of the pooled coefficients and compared them to the biases of correlations estimated by an effect-size model. Mean differences across the 19 groups were the main factor determining the magnitude and sign of the pooled coefficients, which showed largest values of bias as they approached ±1. Only heteroskedasticity across the pool of 19 groups resulted in less efficient estimations of correlations than did a classical meta-analysis approach of combining correlation coefficients. These results were corroborated by simulation studies involving either mean differences or heteroskedasticity across a pool of N > 2 groups. Conclusions The combination of statistical results is best suited for synthesizing the correlation between expression profiles of a gene pair across several microarray studies. PMID:23822712

Thermal evolution behavior and fluid dynamics during laser additive manufacturing of Al-based nanocomposites: Underlying role of reinforcement weight fraction

NASA Astrophysics Data System (ADS)

Gu, Dongdong; Yuan, Pengpeng

2015-12-01

In this study, a three-dimensional transient computational fluid dynamics model was established to investigate the influence of reinforcement weight fraction on thermal evolution behavior and fluid dynamics during selective laser melting (SLM) additive manufacturing of TiC/AlSi10Mg nanocomposites. The powder-to-solid transition and nonlinear variation of thermal physical properties of as-used materials were considered in the numerical model, using the Gaussian distributed volumetric heat source. The simulation results showed that the increase of operating temperature and the resultant formation of larger melt pool were caused by the increase of weight fraction of reinforcement. The Marangoni convection was intensified using a larger reinforcement content, accelerating the coupled motion of fluid and solid particles. The circular flows appeared when the TiC content reached 5.0 wt. % and the larger-sized circular flows were present as the reinforcement content increased to 7.5 wt. %. The experimental study on surface morphologies and microstructures on the polished sections of SLM-processed TiC/AlSi10Mg nanocomposite parts was performed. A considerably dense and smooth surface free of any balling effect and pore formation was obtained when the reinforcement content was optimized at 5.0 wt. %, due to the sufficient liquid formation and moderate Marangoni flow. Novel ring-structured reinforcing particulates were tailored because of the combined action of the attractive effect of centripetal force and repulsive force, which was consistent with the simulation results.

Dynamical self-arrest in symmetric and asymmetric diblock copolymer melts using a replica approach within a local theory.

PubMed

Wu, Sangwook

2009-03-01

We investigate dynamical self-arrest in a diblock copolymer melt using a replica approach within a self-consistent local method based on dynamical mean-field theory (DMFT). The local replica approach effectively predicts (chiN)_{A} for dynamical self-arrest in a block copolymer melt for symmetric and asymmetric cases. We discuss the competition of the cubic and quartic interactions in the Landau free energy for a block copolymer melt in stabilizing a glassy state depending on the chain length. Our local replica theory provides a universal value for the dynamical self-arrest in block copolymer melts with (chiN)_{A} approximately 10.5+64N;{-3/10} for the symmetric case.

Molecular dynamics simulation of melting of 2D glassy monatomic system

NASA Astrophysics Data System (ADS)

Nhu Tranh, Duong Thi; Van Hoang, Vo; Thu Hanh, Tran Thi

2018-01-01

The melting of two-dimensional (2D) glassy monatomic systems is studied using the molecular dynamics simulation with Lennard-Jones-Gauss interaction potential. The temperature dependence of various structural and dynamical properties of the systems during heating is analyzed and discussed via the radial distribution functions, the coordination number distributions, the ring statistics, the mobility of atoms and their clustering. Atomic mechanism of melting is also analyzed via tendency to increase mobility and breaking clusters of atoms upon heating. We found that melting of a 2D glass does not follow any theory of the melting of 2D crystals proposed in the past. The melting exhibits a homogeneous nature, i.e. liquid-like atoms occur homogeneously throughout the system and melting proceeds further leading to the formation of an entire liquid phase. In addition, we found a defined transition temperature region in which structural and dynamical properties of systems strongly change with increasing temperature.

Under-ice melt ponds in the Arctic

NASA Astrophysics Data System (ADS)

Smith, Naomi; Flocco, Daniela; Feltham, Daniel

2017-04-01

In the summer months, melt water from the surface of the Arctic sea ice can percolate down through the ice and flow out of its base. This water is relatively warm and fresh compared to the ocean water beneath it, and so it floats between the ice and the oceanic mixed layer, forming pools of melt water called under-ice melt ponds. Double diffusion can lead to the formation of a sheet of ice, which is called a false bottom, at the interface between the fresh water and the ocean. These false bottoms isolate under-ice melt ponds from the ocean below, trapping the fresh water against the sea ice. These ponds and false bottoms have been estimated to cover between 5 and 40% of the base of the sea ice. [Notz et al. Journal of Geophysical Research 2003] We have developed a one-dimensional thermodynamic model of sea ice underlain by an under-ice melt pond and false bottom. Not only has this allowed us to simulate the evolution of under-ice melt ponds over time, identifying an alternative outcome than previously observed in the field, but sensitivity studies have helped us to estimate the impact that these pools of fresh water have on the mass-balance sea ice. We have also found evidence of a possible positive feedback cycle whereby increasingly less ice growth is seen due to the presence of under-ice melt ponds as the Arctic warms. Since the rate of basal ablation is affected by these phenomena, their presence alters the salt and freshwater fluxes from the sea ice into the ocean. We have coupled our under-ice melt pond model to a simple model of the oceanic mixed layer to determine how this affects mixed layer properties such as temperature, salinity, and depth. In turn, this changes the oceanic forcing reaching the sea ice.

Detection of a Pool in Semi-Continuous Castings Made of Heat-Treatable Aluminum Alloys

NASA Astrophysics Data System (ADS)

Krushenko, G. G.; Nazarov, V. P.

2017-12-01

Various products (sheets, sections, etc.) manufactured by metal forming (rolled products, forged pieces, etc.) from semi-continuous castings are widely used in the aerospace industry. The so-called pool, which is the conical volume of a liquid metal, exists at the top of the liquid metal. Experience demonstrates that the geometry, the depth, and the shape of the pool substantially affect the structure formation in a casting and its quality. The application of a titanium nitride nanopowder, which is introduced in a melt in the volume of a rod, as a modifier allowed us to find the exact geometry of the pool.

Application of Finite Element, Phase-field, and CALPHAD-based Methods to Additive Manufacturing of Ni-based Superalloys.

PubMed

Keller, Trevor; Lindwall, Greta; Ghosh, Supriyo; Ma, Li; Lane, Brandon M; Zhang, Fan; Kattner, Ursula R; Lass, Eric A; Heigel, Jarred C; Idell, Yaakov; Williams, Maureen E; Allen, Andrew J; Guyer, Jonathan E; Levine, Lyle E

2017-10-15

Numerical simulations are used in this work to investigate aspects of microstructure and microseg-regation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by finite element analysis simulates the laser melt pool, with surface temperatures in agreement with in situ thermographic measurements on Inconel 625. Geometric and thermal features of the simulated melt pools are extracted and used in subsequent mesoscale simulations. Solidification in the melt pool is simulated on two length scales. For the multicomponent alloy Inconel 625, microsegregation between dendrite arms is calculated using the Scheil-Gulliver solidification model and DICTRA software. Phase-field simulations, using Ni-Nb as a binary analogue to Inconel 625, produced microstructures with primary cellular/dendritic arm spacings in agreement with measured spacings in experimentally observed microstructures and a lesser extent of microsegregation than predicted by DICTRA simulations. The composition profiles are used to compare thermodynamic driving forces for nucleation against experimentally observed precipitates identified by electron and X-ray diffraction analyses. Our analysis lists the precipitates that may form from FCC phase of enriched interdendritic compositions and compares these against experimentally observed phases from 1 h heat treatments at two temperatures: stress relief at 1143 K (870 °C) or homogenization at 1423 K (1150 °C).

Method of casting silicon into thin sheets

DOEpatents

Sanjurjo, Angel; Rowcliffe, David J.; Bartlett, Robert W.

1982-10-26

Silicon (Si) is cast into thin shapes within a flat-bottomed graphite crucible by providing a melt of molten Si along with a relatively small amount of a molten salt, preferably NaF. The Si in the resulting melt forms a spherical pool which sinks into and is wetted by the molten salt. Under these conditions the Si will not react with any graphite to form SiC. The melt in the crucible is pressed to the desired thinness with a graphite tool at which point the tool is held until the mass in the crucible has been cooled to temperatures below the Si melting point, at which point the Si shape can be removed.

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

NASA Astrophysics Data System (ADS)

Sudakov, Ivan

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

Markov Chain Monte Carlo Inversion of Mantle Temperature and Composition, with Application to Iceland

NASA Astrophysics Data System (ADS)

Brown, Eric; Petersen, Kenni; Lesher, Charles

2017-04-01

Basalts are formed by adiabatic decompression melting of the asthenosphere, and thus provide records of the thermal, chemical and dynamical state of the upper mantle. However, uniquely constraining the importance of these factors through the lens of melting is challenging given the inevitability that primary basalts are the product of variable mixing of melts derived from distinct lithologies having different melting behaviors (e.g. peridotite vs. pyroxenite). Forward mantle melting models, such as REEBOX PRO [1], are useful tools in this regard, because they can account for differences in melting behavior and melt pooling processes, and provide estimates of bulk crust composition and volume that can be compared with geochemical and geophysical constraints, respectively. Nevertheless, these models require critical assumptions regarding mantle temperature, and lithologic abundance(s)/composition(s), all of which are poorly constrained. To provide better constraints on these parameters and their uncertainties, we have coupled a Markov Chain Monte Carlo (MCMC) sampling technique with the REEBOX PRO melting model. The MCMC method systematically samples distributions of key REEBOX PRO input parameters (mantle potential temperature, and initial abundances and compositions of the source lithologies) based on a likelihood function that describes the 'fit' of the model outputs (bulk crust composition and volume and end-member peridotite and pyroxenite melts) relative to geochemical and geophysical constraints and their associated uncertainties. As a case study, we have tested and applied the model to magmatism along Reykjanes Peninsula in Iceland, where pyroxenite has been inferred to be present in the mantle source. This locale is ideal because there exist sufficient geochemical and geophysical data to estimate bulk crust compositions and volumes, as well as the range of near-parental melts derived from the mantle. We find that for the case of passive upwelling, the models that best fit the geochemical and geophysical observables require elevated mantle potential temperatures ( 120 °C above ambient mantle), and 5% pyroxenite. The modeled peridotite source has a trace element composition similar to depleted MORB mantle, whereas the trace element composition of the pyroxenite is similar to enriched mid-ocean ridge basalt. These results highlight the promise of this method for efficiently exploring the range of mantle temperatures, lithologic abundances, and mantle source compositions that are most consistent with available observational constraints in individual volcanic systems. 1 Brown and Lesher (2016), G-cubed, 17, 3929-3968

Experimental study on melting and flowing behavior of thermoplastics combustion based on a new setup with a T-shape trough.

PubMed

Xie, Qiyuan; Zhang, Heping; Ye, Ruibo

2009-07-30

The objective of this work is to quantitatively study the burning characteristics of thermoplastics. A new experimental setup with a T-shape trough is designed. Based on this setup, the loop mechanism between the wall fire and pool fires induced by the melting and dripping of thermoplastic can be well simulated and studied. Additionally, the flowing characteristics of pool fires can also be quantitatively analyzed. Experiments are conducted for PP and PE sheets with different thicknesses. The maximum distances of the induced flowing pool flame in the T-shape trough are recorded and analyzed. The typical fire parameters, such as heat release rates (HRRs), CO concentrations are also monitored. The results show that the softening and clinging of the thermoplastic sheets plays a considerable role for their vertical wall burning. It is illustrated that the clinging of burning thermoplastic sheet may be mainly related with the softening temperatures and the ignition temperatures of the thermoplastics, as well as their viscosity coefficients. Through comparing the maximum distances of flowing flame of induced pool fires in the T-shape trough for thermoplastic sheets with different thicknesses, it is indicated that the pool fires induced by PE materials are easier to flow away than that of PP materials. Therefore, PE materials may be more dangerous for their faster pool fire spread on the floor. These experimental results preliminarily illustrate that this new experimental setup is helpful for quantitatively studying the special burning feature of thermoplastics although further modifications is needed for this setup in the future.

Melt-growth dynamics in CdTe crystals

DOE PAGES

Zhou, X. W.; Ward, D. K.; Wong, B. M.; ...

2012-06-01

We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt growth dynamics and fine scale defect formation mechanisms in CdTe crystals. Previous molecular dynamics simulations of semiconductors have shown qualitatively incorrect behavior due to the lack of an interatomic potential capable of predicting both crystalline growth and property trends of many transitional structures encountered during the melt → crystal transformation. Here, we demonstrate successful molecular dynamics simulations of melt growth in CdTe using a BOP that significantly improves over other potentials on property trends of different phases. Our simulations result in a detailed understanding of defect formation during themore » melt growth process. Equally important, we show that the new BOP enables defect formation mechanisms to be studied at a scale level comparable to empirical molecular dynamics simulation methods with a fidelity level approaching quantum-mechanical methods.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plotkowski, A.; Rios, O.; Sridharan, N.

Our present research in metal additive manufacturing (AM) focuses on designing processing parameters around existing alloys designed for traditional manufacturing. However, to maximize the benefits of AM, alloys should be designed to specifically take advantage of the unique thermal conditions of these processes. Furthermore, our study focuses on the development of a design methodology for alloys in AM, using a newly developed Al-Ce alloy as an initial case study. To evaluate the candidacy of this system for fusion based additive manufacturing, single-line laser melts were made on cast Al-12Ce plates using three different beam velocities (100, 200, and 300 mm/min).more » The microstructure was evaluated in the as-melted and heat treated conditions (24 hrs at 300°C). An extremely fine microstructure was observed within the weld pools, evolving from eutectic at the outer solid-liquid boundaries to a primary Al FCC dendritic/cellular structure nearer the melt-pool centerline. We rationalized the observed microstructures through the construction of a microstructure selection map for the Al-Ce binary system, which will be used to enable future alloy design. Interestingly, the heat treated samples exhibited no microstructural coarsening.« less

Low-gravity fluid dynamics and transport phenomena. Progress in Astronautics and Aeronautics. Vol. 130

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koster, J.N.; Sani, R.L.

1990-01-01

Various papers on low-gravity fluid dynamics and transport phenomena are presented. Individual topics addressed include: fluid management in low gravity, nucleate pool boiling in variable gravity, application of energy-stability theory to problems in crystal growth, thermosolutal convection in liquid HgCdTe near the liquidus temperature, capillary surfaces in microgravity, thermohydrodynamic instabilities and capillary flows, interfacial oscillators, effects of gravity jitter on typical fluid science experiments and on natural convection in a vertical cylinder. Also discussed are: double-diffusive convection and its effects under reduced gravity, segregation and convection in dendritic alloys, fluid flow and microstructure development, analysis of convective situations with themore » Soret effect, complex natural convection in low Prandtl number metals, separation physics, phase partitioning in reduced gravity, separation of binary alloys with miscibility gap in the melt, Ostwald ripening in liquids, particle cloud combustion in reduced gravity, opposed-flow flame spread with implications for combustion at microgravity.« less

Metal vapor micro-jet controls material redistribution in laser powder bed fusion additive manufacturing.

PubMed

Ly, Sonny; Rubenchik, Alexander M; Khairallah, Saad A; Guss, Gabe; Matthews, Manyalibo J

2017-06-22

The results of detailed experiments and finite element modeling of metal micro-droplet motion associated with metal additive manufacturing (AM) processes are presented. Ultra high speed imaging of melt pool dynamics reveals that the dominant mechanism leading to micro-droplet ejection in a laser powder bed fusion AM is not from laser induced recoil pressure as is widely believed and found in laser welding processes, but rather from vapor driven entrainment of micro-particles by an ambient gas flow. The physics of droplet ejection under strong evaporative flow is described using simulations of the laser powder bed interactions to elucidate the experimental results. Hydrodynamic drag analysis is used to augment the single phase flow model and explain the entrainment phenomenon for 316 L stainless steel and Ti-6Al-4V powder layers. The relevance of vapor driven entrainment of metal micro-particles to similar fluid dynamic studies in other fields of science will be discussed.

Metal vapor micro-jet controls material redistribution in laser powder bed fusion additive manufacturing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ly, Sonny; Rubenchik, Alexander M.; Khairallah, Saad A.

The results of detailed experiments and finite element modeling of metal micro-droplet motion associated with metal additive manufacturing (AM) processes are presented. Ultra high speed imaging of melt pool dynamics reveals that the dominant mechanism leading to micro-droplet ejection in a laser powder bed fusion AM is not from laser induced recoil pressure as is widely believed and found in laser welding processes, but rather from vapor driven entrainment of micro-particles by an ambient gas flow. The physics of droplet ejection under strong evaporative flow is described using simulations of the laser powder bed interactions to elucidate the experimental results.more » Hydrodynamic drag analysis is used to augment the single phase flow model and explain the entrainment phenomenon for 316 L stainless steel and Ti-6Al-4V powder layers. The relevance of vapor driven entrainment of metal micro-particles to similar fluid dynamic studies in other fields of science will be discussed.« less

Metal vapor micro-jet controls material redistribution in laser powder bed fusion additive manufacturing

DOE PAGES

Ly, Sonny; Rubenchik, Alexander M.; Khairallah, Saad A.; ...

2017-06-22

The results of detailed experiments and finite element modeling of metal micro-droplet motion associated with metal additive manufacturing (AM) processes are presented. Ultra high speed imaging of melt pool dynamics reveals that the dominant mechanism leading to micro-droplet ejection in a laser powder bed fusion AM is not from laser induced recoil pressure as is widely believed and found in laser welding processes, but rather from vapor driven entrainment of micro-particles by an ambient gas flow. The physics of droplet ejection under strong evaporative flow is described using simulations of the laser powder bed interactions to elucidate the experimental results.more » Hydrodynamic drag analysis is used to augment the single phase flow model and explain the entrainment phenomenon for 316 L stainless steel and Ti-6Al-4V powder layers. The relevance of vapor driven entrainment of metal micro-particles to similar fluid dynamic studies in other fields of science will be discussed.« less

Numerical Simulation of Hydrodynamics of a Heavy Liquid Drop Covered by Vapor Film in a Water Pool

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, W.M.; Yang, Z.L.; Giri, A.

2002-07-01

A numerical study on the hydrodynamics of a droplet covered by vapor film in water pool is carried out. Two level set functions are used as to implicitly capture the interfaces among three immiscible fluids (melt-drop, vapor and coolant). This approach leaves only one set of conservation equations for the three phases. A high-order Navier-Stokes solver, called Cubic-Interpolated Pseudo-Particle (CIP) algorithm, is employed in combination with level set approach, which allows large density ratios (up to 1000), surface tension and jump in viscosity. By this calculation, the hydrodynamic behavior of a melt droplet falling into a volatile coolant is simulated,more » which is of great significance to reveal the mechanism of steam explosion during a hypothetical severe reactor accident. (authors)« less

"Ripples" in an Aluminum Pool?

NASA Astrophysics Data System (ADS)

Rohr, James; Wang, Si-Yin; Nesterenko, Vitali F.

2018-05-01

Our motivation for this article is for students to realize that opportunities for discovery are all around them. Discoveries that can still puzzle present day researchers. Here we explore an observation by a middle school student concerning the production of what appears to be water-like "ripples" produced in aluminum foil when placed between two colliding spheres. We both applaud and explore the student's reasoning that the ripples were formed in a melted aluminum pool.

Modeling of Melt Growth During Carbothermal Processing of Lunar Regolith

NASA Technical Reports Server (NTRS)

Balasubramaniam, R.; Gokoglu S.; Hegde, U.

2012-01-01

The carbothermal processing of lunar regolith has been proposed as a means to produce carbon monoxide and ultimately oxygen to support human exploration of the moon. In this process, gaseous methane is pyrolyzed as it flows over the hot surface of a molten zone of lunar regolith and is converted to carbon and hydrogen. Carbon gets deposited on the surface of the melt, and mixes and reacts with the metal oxides in it to produce carbon monoxide that bubbles out of the melt. Carbon monoxide is further processed in other reactors downstream to ultimately produce oxygen. The amount of oxygen produced crucially depends on the amount of regolith that is molten. In this paper we develop a model of the heat transfer in carbothermal processing. Regolith in a suitable container is heated by a heat flux at its surface such as by continuously shining a beam of solar energy or a laser on it. The regolith on the surface absorbs the energy and its temperature rises until it attains the melting point. The energy from the heat flux is then used for the latent heat necessary to change phase from solid to liquid, after which the temperature continues to rise. Thus a small melt pool appears under the heated zone shortly after the heat flux is turned on. As time progresses, the pool absorbs more heat and supplies the energy required to melt more of the regolith, and the size of the molten zone increases. Ultimately, a steady-state is achieved when the heat flux absorbed by the melt is balanced by radiative losses from the surface. In this paper, we model the melting and the growth of the melt zone with time in a bed of regolith when a portion of its surface is subjected to a constant heat flux. The heat flux is assumed to impinge on a circular area. Our model is based on an axisymmetric three-dimensional variation of the temperature field in the domain. Heat transfer occurs only by conduction, and effects of convective heat transport are assumed negligible. Radiative heat loss from the surface of the melt and the regolith to the surroundings is permitted. We perform numerical computations to determine the shape and the mass of the melt at steady state and its time evolution. We first neglect the volume change upon melting, and subsequently perform calculations including it. Predictions from our model are compared to test data to determine the effective thermal conductivities of the regolith and the melt that are compatible with the data

Lasting Effects of Glacial Lake Outburst Floods on Subglacial Drainage Networks

NASA Astrophysics Data System (ADS)

Robbins, M.; Hendy, I. L.; Bassis, J. N.; Aciego, S.; Stevenson, E. I.

2017-12-01

Supraglacial lakes forming in the ablation zone around the Greenland Ice Sheet will likely migrate toward higher elevations as polar temperatures rise through the 21st century. Present understanding of lake drainage shows it can temporarily enhance ice sheet motion, but other possible effects and interactions - especially with older pre-existing subglacial reservoirs - remain unexamined. Here we investigate possible enduring effects of the record high 2012 melt year on the en/subglacial hydrologic network, how this network responds to immediate high fluxes of water from floods, and how these phenomena might connect to previously isolated subglacial pools. Lake Hullet is a large ice dammed lake situated in south Greenland 22km up-ice from where Kiattuut Sermiat (KS) branches from a larger outlet glacier. Lake Hullet rests on bedrock and is contained by a bedrock ridge. It drains roughly annually through Lake Hullet's hydrologic network in a glacial lake outburst flood (GLOF) when water level rises such that it can flow over the obstructive ridge. Subglacial water samples collected from the toe of KS in July 2013 pre-flood were dated using U isotopes with 222Rn concentrations as well as noble gas ratios. These two independent methods reveal an exceedingly old water age of > 1000 years, indicating existence of isolated enduring subglacial meltwater pool(s). A comparison field study at the KS toe in August and September 2015 re-examined glacial hydrochemistry in a time series. 2015 222Rn concentrations are lower than 2013 values, suggesting less water-rock interaction, a reduction in residence time, and a proximal meltwater source. Increased water volume from the record high 2012 melt year may have enlarged the existing en/subglacial drainage network further into the ice sheet releasing meltwater with longer residence times beneath the ice, with effects lasting into subsequent melt seasons due to the stability of channels maintained from recurrent floods. These preliminary results indicate future increasing temperatures, resultant high surface melt, and lake drainage may affect ice sheet hydrology beyond the immediate melt season with implications for basal lubrication further inland and ice sheet motion.

Influence of scan strategy and molten pool configuration on microstructures and tensile properties of selective laser melting additive manufactured aluminum based parts

NASA Astrophysics Data System (ADS)

Dai, Donghua; Gu, Dongdong; Zhang, Han; Xiong, Jiapeng; Ma, Chenglong; Hong, Chen; Poprawe, Reinhart

2018-02-01

Selective laser melting additive manufacturing of the AlSi12 material parts through the re-melting of the previously solidified layer using the continuous two layers 90° rotate scan strategy was conducted. The influence of the re-melting behavior and scan strategy on the formation of the ;track-track; and ;layer-layer; molten pool boundaries (MPBs), dimensional accuracy, microstructure feature, tensile properties, microscopic sliding behavior and the fracture mechanism as loaded a tensile force has been studied. It showed that the defects, such as the part distortion, delamination and cracks, were significantly eliminated with the deformation rate less than 1%. The microstructure of a homogeneous distribution of the Si phase, no apparent grain orientation on both sides of the MPBs, was produced in the as-fabricated part, promoting the efficient transition of the load stress. Cracks preferentially initiate at the ;track-track; MPBs when the tensile stress increases to a certain value, resulting in the formation of the cleavage steps along the tensile loading direction. The cracks propagate along the ;layer-layer; MPBs, generating the fine dimples. The mechanical behavior of the SLM-processed AlSi12 parts can be significantly enhanced with the ultimate tensile strength, yield strength and elongation of 476.3 MPa, 315.5 MPa and 6.7%, respectively.

Evaluating the Effect of Processing Parameters on Porosity in Electron Beam Melted Ti-6Al-4V via Synchrotron X-ray Microtomography

NASA Astrophysics Data System (ADS)

Cunningham, Ross; Narra, Sneha P.; Ozturk, Tugce; Beuth, Jack; Rollett, A. D.

2016-03-01

Electron beam melting (EBM) is one of the subsets of direct metal additive manufacturing (AM), an emerging manufacturing method that fabricates metallic parts directly from a three-dimensional (3D) computer model by the successive melting of powder layers. This family of technologies has seen significant growth in recent years due to its potential to manufacture complex components with shorter lead times, reduced material waste and minimal post-processing as a "near-net-shape" process, making it of particular interest to the biomedical and aerospace industries. The popular titanium alloy Ti-6Al-4V has been the focus of multiple studies due to its importance to these two industries, which can be attributed to its high strength to weight ratio and corrosion resistance. While previous research has found that most tensile properties of EBM Ti-6Al-4V meet or exceed conventional manufacturing standards, fatigue properties have been consistently inferior due to a significant presence of porosity. Studies have shown that adjusting processing parameters can reduce overall porosity; however, they frequently utilize methods that give insufficient information to properly characterize the porosity (e.g., Archimedes' method). A more detailed examination of the result of process parameter adjustments on the size and spatial distribution of gas porosity was performed utilizing synchrotron-based x-ray microtomography with a minimum feature resolution of 1.5 µm. Cross-sectional melt pool area was varied systematically via process mapping. Increasing melt pool area through the speed function variable was observed to significantly reduce porosity in the part.

IMPACTS OF ANTIFOAM ADDITIONS AND ARGON BUBBLING ON DEFENSE WASTE PROCESSING FACILITY REDUCTION/OXIDATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jantzen, C.; Johnson, F.

2012-06-05

During melting of HLW glass, the REDOX of the melt pool cannot be measured. Therefore, the Fe{sup +2}/{Sigma}Fe ratio in the glass poured from the melter must be related to melter feed organic and oxidant concentrations to ensure production of a high quality glass without impacting production rate (e.g., foaming) or melter life (e.g., metal formation and accumulation). A production facility such as the Defense Waste Processing Facility (DWPF) cannot wait until the melt or waste glass has been made to assess its acceptability, since by then no further changes to the glass composition and acceptability are possible. therefore, themore » acceptability decision is made on the upstream process, rather than on the downstream melt or glass product. That is, it is based on 'feed foward' statistical process control (SPC) rather than statistical quality control (SQC). In SPC, the feed composition to the melter is controlled prior to vitrification. Use of the DWPF REDOX model has controlled the balanjce of feed reductants and oxidants in the Sludge Receipt and Adjustment Tank (SRAT). Once the alkali/alkaline earth salts (both reduced and oxidized) are formed during reflux in the SRAT, the REDOX can only change if (1) additional reductants or oxidants are added to the SRAT, the Slurry Mix Evaporator (SME), or the Melter Feed Tank (MFT) or (2) if the melt pool is bubble dwith an oxidizing gas or sparging gas that imposes a different REDOX target than the chemical balance set during reflux in the SRAT.« less

The effect of salt on the melting of ice: A molecular dynamics simulation study.

PubMed

Kim, Jun Soo; Yethiraj, Arun

2008-09-28

The effect of added salt (NaCl) on the melting of ice is studied using molecular dynamics simulations. The equilibrium freezing point depression observed in the simulations is in good agreement with experimental data. The kinetic aspects of melting are investigated in terms of the exchange of water molecules between ice and the liquid phase. The ice/liquid equilibrium is a highly dynamic process with frequent exchange of water molecules between ice and the liquid phase. The balance is disturbed when ice melts and the melting proceeds in two stages; the inhibition of the association of water molecules to the ice surface at short times, followed by the increased dissociation of water molecules from the ice surface at longer times. We also find that Cl(-) ions penetrate more deeply into the interfacial region than Na(+) ions during melting. This study provides an understanding of the kinetic aspects of melting that could be useful in other processes such as the inhibition of ice growth by antifreeze proteins.

String-like collective atomic motion in the melting and freezing of nanoparticles.

PubMed

Zhang, Hao; Kalvapalle, Pranav; Douglas, Jack F

2011-12-08

The melting of a solid represents a transition between a solid state in which atoms are localized about fixed average crystal lattice positions to a fluid state that is characterized by relative atomic disorder and particle mobility so that the atoms wander around the material as a whole, impelled by the random thermal impulses of surrounding atoms. Despite the fundamental nature and practical importance of this particle delocalization transition, there is still no fundamental theory of melting and instead one often relies on the semi-phenomenological Lindemann-Gilvarry criterion to estimate roughly the melting point as an instability of the crystal lattice. Even the earliest simulations of melting in hexagonally packed hard discs by Alder and Wainwright indicated the active role of nonlocal collective atomic motions in the melting process, and here we utilize molecular dynamics (MD) simulation to determine whether the collective particle motion observed in melting has a similar geometrical form as those in recent studies of nanoparticle (NP) interfacial dynamics and the molecular dynamics of metastable glass-forming liquids. We indeed find string-like collective atomic motion in NP melting that is remarkably similar in form to the collective interfacial motions in NPs at equilibrium and to the collective motions found in the molecular dynamics of glass-forming liquids. We also find that the spatial localization and extent of string-like motion in the course of NP melting and freezing evolves with time in distinct ways. Specifically, the collective atomic motion propagates from the NP surface and from within the NP in melting and freezing, respectively, and the average string length varies smoothly with time during melting. In contrast, the string-like cooperative motion peaks in an intermediate stage of the freezing process, reflecting a general asymmetry in the dynamics of NP superheating and supercooling. © 2011 American Chemical Society

Trends in Solidification Grain Size and Morphology for Additive Manufacturing of Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Gockel, Joy; Sheridan, Luke; Narra, Sneha P.; Klingbeil, Nathan W.; Beuth, Jack

2017-12-01

Metal additive manufacturing (AM) is used for both prototyping and production of final parts. Therefore, there is a need to predict and control the microstructural size and morphology. Process mapping is an approach that represents AM process outcomes in terms of input variables. In this work, analytical, numerical, and experimental approaches are combined to provide a holistic view of trends in the solidification grain structure of Ti-6Al-4V across a wide range of AM process input variables. The thermal gradient is shown to vary significantly through the depth of the melt pool, which precludes development of fully equiaxed microstructure throughout the depth of the deposit within any practical range of AM process variables. A strategy for grain size control is demonstrated based on the relationship between melt pool size and grain size across multiple deposit geometries, and additional factors affecting grain size are discussed.

Evaluation of an Al-Ce alloy for laser additive manufacturing

DOE PAGES

Plotkowski, A.; Rios, O.; Sridharan, N.; ...

2016-12-27

Our present research in metal additive manufacturing (AM) focuses on designing processing parameters around existing alloys designed for traditional manufacturing. However, to maximize the benefits of AM, alloys should be designed to specifically take advantage of the unique thermal conditions of these processes. Furthermore, our study focuses on the development of a design methodology for alloys in AM, using a newly developed Al-Ce alloy as an initial case study. To evaluate the candidacy of this system for fusion based additive manufacturing, single-line laser melts were made on cast Al-12Ce plates using three different beam velocities (100, 200, and 300 mm/min).more » The microstructure was evaluated in the as-melted and heat treated conditions (24 hrs at 300°C). An extremely fine microstructure was observed within the weld pools, evolving from eutectic at the outer solid-liquid boundaries to a primary Al FCC dendritic/cellular structure nearer the melt-pool centerline. We rationalized the observed microstructures through the construction of a microstructure selection map for the Al-Ce binary system, which will be used to enable future alloy design. Interestingly, the heat treated samples exhibited no microstructural coarsening.« less

A full 3D model of fluid flow and heat transfer in an E.B. heated liquid metal bath

NASA Astrophysics Data System (ADS)

Matveichev, A.; Jardy, A.; Bellot, J. P.

2016-07-01

In order to study the dissolution of exogeneous inclusions in the liquid metal during processing of titanium alloys, a series of dipping experiments has been performed in an Electron Beam Melting laboratory furnace. Precise determination of the dissolution kinetics requires knowing and mastering the exact thermohydrodynamic behavior of the melt pool, which implies full 3D modeling of the process. To achieve this goal, one needs to describe momentum and heat transfer, phase change, as well as the development of flow turbulence in the liquid. EB power input, thermal radiation, heat loss through the cooling circuit, surface tension effects (i.e. Marangoni-induced flow) must also be addressed in the model. Therefore a new solver dealing with all these phenomena was implemented within OpenFOAM platform. Numerical results were compared with experimental data from actual Ti melting, showing a pretty good agreement. In the second stage, the immersion of a refractory sample rod in the liquid pool was simulated. Results of the simulations showed that the introduction of the sample slightly disturbs the flow field inside the bath. The amount of such disturbance depends on the exact location of the dipping.

The land-ice contribution to 21st-century dynamic sea level rise

NASA Astrophysics Data System (ADS)

Howard, T.; Ridley, J.; Pardaens, A. K.; Hurkmans, R. T. W. L.; Payne, A. J.; Giesen, R. H.; Lowe, J. A.; Bamber, J. L.; Edwards, T. L.; Oerlemans, J.

2014-06-01

Climate change has the potential to influence global mean sea level through a number of processes including (but not limited to) thermal expansion of the oceans and enhanced land ice melt. In addition to their contribution to global mean sea level change, these two processes (among others) lead to local departures from the global mean sea level change, through a number of mechanisms including the effect on spatial variations in the change of water density and transport, usually termed dynamic sea level changes. In this study, we focus on the component of dynamic sea level change that might be given by additional freshwater inflow to the ocean under scenarios of 21st-century land-based ice melt. We present regional patterns of dynamic sea level change given by a global-coupled atmosphere-ocean climate model forced by spatially and temporally varying projected ice-melt fluxes from three sources: the Antarctic ice sheet, the Greenland Ice Sheet and small glaciers and ice caps. The largest ice melt flux we consider is equivalent to almost 0.7 m of global mean sea level rise over the 21st century. The temporal evolution of the dynamic sea level changes, in the presence of considerable variations in the ice melt flux, is also analysed. We find that the dynamic sea level change associated with the ice melt is small, with the largest changes occurring in the North Atlantic amounting to 3 cm above the global mean rise. Furthermore, the dynamic sea level change associated with the ice melt is similar regardless of whether the simulated ice fluxes are applied to a simulation with fixed CO2 or under a business-as-usual greenhouse gas warming scenario of increasing CO2.

Initial Parameter Estimation for Inverse Thermal Analysis of Ti-6Al-4V Deep Penetration Welds

DTIC Science & Technology

2014-05-16

theory, for the case of deep-penetration welding, is simulation of the coupling of keyhole formation, melting, fluid flow in the weld melt pool and...isothermal boundaires, e.g., TTB and TM. A specific procedure for interpolation, however, has not been considered. For the present study, the close ...Clarendon Press, Oxford, 2nd ed, 374, 1959. 19. R. Rai, J.W. Elmer, T.A. Palmer, T. DebRoy, Heat Transfer and Fluid Flow During Keyhole Mode Laser Welding

Numerical and experimental investigation into the subsequent thermal cycling during selective laser melting of multi-layer 316L stainless steel

NASA Astrophysics Data System (ADS)

Liu, Yang; Zhang, Jian; Pang, Zhicong

2018-01-01

Subsequent thermal cycling (STC), as the unique thermal behavior during the multi-layer manufacturing process of selective laser melting (SLM), brings about unique microstructure of the as-produced parts. A multi-layer finite element (FE) model was proposed to study the STC along with a contrast experiment. The FE simulational results show that as layer increases, the maximum temperature, dimensions and liquid lifetime of the molten pool increase, while the heating and cooling rates decrease. The maximum temperature point shifts into the molten pool, and central of molten pool shifts backward. The neighborly underlying layer can be remelted thoroughly when laser irradiates a powder layer, thus forming an excellent bonding between neighbor layers. The contrast experimental results between the single-layer and triple-layer samples show that grains in of latter become coarsen and tabular along the height direction compared with those of the former. Moreover, this effect become more serious in 2nd and 1st layers in the triple-layer sample. All the above illustrate that the STC has an significant influence on the thermal behavior during SLM process, and thus affects the microstructure of SLMed parts.

A numerical treatment of melt/solid segregation - Size of the eucrite parent body and stability of the terrestrial low-velocity zone

NASA Technical Reports Server (NTRS)

Walker, D.; Stolper, E. M.; Hays, J. F.

1978-01-01

Crystal sinking to form cumulates and melt percolation toward segregation in magma pools can be treated with modifications of Stokes' and Darcy's laws, respectively. The velocity of crystals and melt depends, among other things, on the force of gravity (g) driving the separations and the cooling time of the environment. The increase of g promotes more efficient differentiation, whereas the increase of cooling rate limits the extent to which crystals and liquid can separate. The rate at which separation occurs is strongly dependent on the proportion of liquid that is present. The observation of cumulates and segregated melts among the eucrite meteorites is used as a basis for calculating the g (and planet size) required to perform these differentiations. The eucrite parent body was probably at least 10-100 km in radius. The earth's low velocity zone (LVZ) is shown to be unstable with respect to draining itself of excess melt if the melt forms an interconnecting network. A geologically persistent LVZ with a homogeneous distribution of melt can be maintained with melt fractions only on the order of 0.1% or less.

Mixing Silicate Melts with High Viscosity Contrast by Chaotic Dynamics: Results from a New Experimental Device

NASA Astrophysics Data System (ADS)

de Campos, Cristina; Perugini, Diego; Ertel-Ingrisch, Werner; Dingwell, Donald B.; Poli, Giampiero

2010-05-01

A new experimental device has been developed to perform chaotic mixing between high viscosity melts under controlled fluid-dynamic conditions. The apparatus is based on the Journal Bearing System (JBS). It consists of an outer cylinder hosting the melts of interest and an inner cylinder, which is eccentrically located. Both cylinders can be independently moved to generate chaotic streamlines in the mixing system. Two experiments were performed using as end-members different proportions of a peralkaline haplogranite and a mafic melt, corresponding to the 1 atm eutectic composition in the An-Di binary system. The two melts were stirred together in the JBS for ca. two hours, at 1,400° C and under laminar fluid dynamic condition (Re of the order of 10-7). The viscosity ratio between the two melts, at the beginning of the experiment, was of the order of 103. Optical analyses of experimental samples revealed, at short length scale (of the order of μm), a complex pattern of mixed structures. These consisted of an intimate distribution of filaments; a complex inter-fingering of the two melts. Such features are typically observed in rocks thought to be produced by magma mixing processes. Stretching and folding dynamics between the melts induced chaotic flow fields and generated wide compositional interfaces. In this way, chemical diffusion processes become more efficient, producing melts with highly heterogeneous compositions. A remarkable modulation of compositional fields has been obtained by performing short time-scale experiments and using melts with a high viscosity ratio. This indicates that chaotic mixing of magmas can be a very efficient process in modulating compositional variability in igneous systems, especially under high viscosity ratios and laminar fluid-dynamic regimes. Our experimental device may replicate magma mixing features, observed in natural rocks, and therefore open new frontiers in the study of this important petrologic and volcanological process.

Cluster Morphology-Polymer Dynamics Correlations in Sulfonated Polystyrene Melts: Computational Study

DOE PAGES

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

2016-04-11

Reaching exceptionally long times up to 500 ns in equilibrium and nonequilibrium molecular dynamics simulations studies, we have attained a fundamental molecular understanding of the correlation of ionomer clusters structure and multiscale dynamics, providing new insight into one critical, long-standing challenge in ionic polymer physics. The cluster structure in melts of sulfonated polystyrene with Na + and Mg 2+ counterions are resolved and correlated with the dynamics on multiple length and time scales extracted from measurements of the dynamic structure factor and shear rheology. We find that as the morphology of the ionic clusters changes from ladderlike for Na +more » to disordered structures for Mg 2+, the dynamic structure factor is affected on the length scale corresponding to the ionic clusters. Lastly, rheology studies show that the viscosity for Mg 2+ melts is higher than for Na + ones for all shear rates, which is well correlated with the larger ionic clusters’ size for the Mg 2+ melts.« less

Partial structure factors reveal atomic dynamics in metallic alloy melts

NASA Astrophysics Data System (ADS)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Kordel, T.; Hansen, T. C.; Meyer, A.

2017-07-01

We investigate the dynamical decoupling of the diffusion coefficients of the different components in a metallic alloy melt, using a combination of neutron diffraction, isotopic substitution, and electrostatic levitation in Zr-Ni melts. We show that excess Ni atoms can diffuse more freely in a background of saturated chemical interaction, causing their dynamics to become much faster and thus decoupled than anticipated from the interparticle interactions. Based on the mode-coupling theory of the glass transition, the averaged structure as given by the partial static structure factors is able to explain the observed dynamical behavior.

Laser Consolidation - A Novel One-Step Manufacturing Process for Making Net-Shape Functional Components

DTIC Science & Technology

2006-05-01

dies. This process uses a laser beam to melt a controlled amount of injected powder on a base plate to deposit the first layer and on previous passes...Consolidation” to build functional net-shape components directly from metallic powder in one step [1-3]. The laser consolidation is a one-step computer-aided...A focused laser beam is irradiated on the substrate to create a molten pool, while metallic powder is injected simultaneously into the pool. A

Molecular characterization of dissolved organic matter during the Arctic spring melt period

NASA Astrophysics Data System (ADS)

Gueguen, C.; Mangal, V.; Shi, Y. X.

2016-02-01

The application of high resolution electrospray ionization mass spectrometry has advanced our understanding of dissolved organic matter (DOM) at molecular level. The arctic spring melt period has been largely undersampled owing to logistical and safety issues, yet this period is extremely important to the overall flux of DOM and related contaminants including metals from high latitude rivers. In this study, we present high resolution molecular composition of 35 DOM samples collected in the Churchill River (Manitoba) during the 2015 spring melt period. As spring melt progresses, a significant change in the two most dominant carbon pools, protein and lignin, was observed. For example, the relative abundance of proteins detected in the river DOM samples increased from 19 to 44% during the spring flush, likely reflecting a change in DOM source. Similar patterns were found using fluorescence spectroscopy.

Improved Wear Resistance of Low Carbon Steel with Plasma Melt Injection of WC Particles

NASA Astrophysics Data System (ADS)

Liu, Aiguo; Guo, Mianhuan; Hu, Hailong

2010-08-01

Surface of a low carbon steel Q235 substrate was melted by a plasma torch, and tungsten carbide (WC) particles were injected into the melt pool. WC reinforced surface metal matrix composite (MMC) was synthesized. Dry sliding wear behavior of the surface MMC was studied and compared with the substrate. The results show that dry sliding wear resistance of low carbon steel can be greatly improved by plasma melt injection of WC particles. Hardness of the surface MMC is much higher than that of the substrate. The high hardness lowers the adhesion and abrasion of the surface MMC, and also the friction coefficient of it. The oxides formed in the sliding process also help to lower the friction coefficient. In this way, the dry sliding wear resistance of the surface MMC is greatly improved.

Laser Beam Melting of Alumina: Effect of Absorber Additions

NASA Astrophysics Data System (ADS)

Moniz, Liliana; Colin, Christophe; Bartout, Jean-Dominique; Terki, Karim; Berger, Marie-Hélène

2018-03-01

Ceramic laser beam melting offers new manufacturing possibilities for complex refractory structures. Poor absorptivity in near infra-red wavelengths of oxide ceramics is overcome with absorber addition to ceramic powders. Absorbers affect powder bed densities and geometrical stability of melted tracks. Optimum absorber content is defined for Al2O3 by minimizing powder bed porosity, maximizing melting pool geometrical stability and limiting shrinkage. Widest stability fields are obtained with addition of 0.1 wt.% C and 0.5 wt.% β-SiC. Absorption coefficient values of Beer-Lambert law follow stability trends: they increase with C additions, whereas with β-SiC, a maximum is reached for 0.5 wt.%. Powder particle ejections are also identified. Compared to metallic materials, this ejection phenomenon can no longer be neglected when establishing a three-dimensional manufacturing strategy.

Influence of the arc plasma parameters on the weld pool profile in TIG welding

NASA Astrophysics Data System (ADS)

Toropchin, A.; Frolov, V.; Pipa, A. V.; Kozakov, R.; Uhrlandt, D.

2014-11-01

Magneto-hydrodynamic simulations of the arc and fluid simulations of the weld pool can be beneficial in the analysis and further development of arc welding processes and welding machines. However, the appropriate coupling of arc and weld pool simulations needs further improvement. The tungsten inert gas (TIG) welding process is investigated by simulations including the weld pool. Experiments with optical diagnostics are used for the validation. A coupled computational model of the arc and the weld pool is developed using the software ANSYS CFX. The weld pool model considers the forces acting on the motion of the melt inside and on the surface of the pool, such as Marangoni, drag, electromagnetic forces and buoyancy. The experimental work includes analysis of cross-sections of the workpieces, highspeed video images and spectroscopic measurements. Experiments and calculations have been performed for various currents, distances between electrode and workpiece and nozzle diameters. The studies show the significant impact of material properties like surface tension dependence on temperature as well as of the arc structure on the weld pool behaviour and finally the weld seam depth. The experimental weld pool profiles and plasma temperatures are in good agreement with computational results.

Shock melting method to determine melting curve by molecular dynamics: Cu, Pd, and Al.

PubMed

Liu, Zhong-Li; Zhang, Xiu-Lu; Cai, Ling-Cang

2015-09-21

A melting simulation method, the shock melting (SM) method, is proposed and proved to be able to determine the melting curves of materials accurately and efficiently. The SM method, which is based on the multi-scale shock technique, determines melting curves by preheating and/or prepressurizing materials before shock. This strategy was extensively verified using both classical and ab initio molecular dynamics (MD). First, the SM method yielded the same satisfactory melting curve of Cu with only 360 atoms using classical MD, compared to the results from the Z-method and the two-phase coexistence method. Then, it also produced a satisfactory melting curve of Pd with only 756 atoms. Finally, the SM method combined with ab initio MD cheaply achieved a good melting curve of Al with only 180 atoms, which agrees well with the experimental data and the calculated results from other methods. It turned out that the SM method is an alternative efficient method for calculating the melting curves of materials.

Shock melting method to determine melting curve by molecular dynamics: Cu, Pd, and Al

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhong-Li, E-mail: zl.liu@163.com; Zhang, Xiu-Lu; Cai, Ling-Cang

A melting simulation method, the shock melting (SM) method, is proposed and proved to be able to determine the melting curves of materials accurately and efficiently. The SM method, which is based on the multi-scale shock technique, determines melting curves by preheating and/or prepressurizing materials before shock. This strategy was extensively verified using both classical and ab initio molecular dynamics (MD). First, the SM method yielded the same satisfactory melting curve of Cu with only 360 atoms using classical MD, compared to the results from the Z-method and the two-phase coexistence method. Then, it also produced a satisfactory melting curvemore » of Pd with only 756 atoms. Finally, the SM method combined with ab initio MD cheaply achieved a good melting curve of Al with only 180 atoms, which agrees well with the experimental data and the calculated results from other methods. It turned out that the SM method is an alternative efficient method for calculating the melting curves of materials.« less

Molecular mechanism of melting of a helical polymer crystal: Role of conformational order, packing and mobility of polymers

NASA Astrophysics Data System (ADS)

Cheerla, Ramesh; Krishnan, Marimuthu

2018-03-01

The molecular mechanism of melting of a superheated helical polymer crystal has been investigated using isothermal-isobaric molecular dynamics simulation that allows anisotropic deformation of the crystal lattice. A detailed microscopic analysis of the onset and progression of melting and accompanying changes in the polymer conformational order, translational, and orientation order of the solid along the melting pathway is presented. Upon gradual heating from room temperature to beyond the melting point at ambient pressure, the crystal exhibits signatures of premelting well below the solid-to-liquid melting transition at the melting point. The melting transition is manifested by abrupt changes in the crystal volume, lattice energy, polymer conformation, and dynamical properties. In the premelting stage, the crystal lattice structure and backbone orientation of the polymer chains are retained but with the onset of weakening of long-range helical order and interchain packing of polymers perpendicular to the fibre axis of the crystal. The premelting also marks the onset of conformational defects and anisotropic solid-state diffusion of polymers along the fibre axis. The present study underscores the importance of the interplay between intermolecular packing, interactions, and conformational dynamics at the atomic level in determining the macroscopic melting behavior of polymer crystals.

Melting dynamics of ice in the mesoscopic regime

PubMed Central

Citroni, Margherita; Fanetti, Samuele; Falsini, Naomi; Foggi, Paolo; Bini, Roberto

2017-01-01

How does a crystal melt? How long does it take for melt nuclei to grow? The melting mechanisms have been addressed by several theoretical and experimental works, covering a subnanosecond time window with sample sizes of tens of nanometers and thus suitable to determine the onset of the process but unable to unveil the following dynamics. On the other hand, macroscopic observations of phase transitions, with millisecond or longer time resolution, account for processes occurring at surfaces and time limited by thermal contact with the environment. Here, we fill the gap between these two extremes, investigating the melting of ice in the entire mesoscopic regime. A bulk ice Ih or ice VI sample is homogeneously heated by a picosecond infrared pulse, which delivers all of the energy necessary for complete melting. The evolution of melt/ice interfaces thereafter is monitored by Mie scattering with nanosecond resolution, for all of the time needed for the sample to reequilibrate. The growth of the liquid domains, over distances of micrometers, takes hundreds of nanoseconds, a time orders of magnitude larger than expected from simple H-bond dynamics. PMID:28536197

A Monte Carlo model for 3D grain evolution during welding

NASA Astrophysics Data System (ADS)

Rodgers, Theron M.; Mitchell, John A.; Tikare, Veena

2017-09-01

Welding is one of the most wide-spread processes used in metal joining. However, there are currently no open-source software implementations for the simulation of microstructural evolution during a weld pass. Here we describe a Potts Monte Carlo based model implemented in the SPPARKS kinetic Monte Carlo computational framework. The model simulates melting, solidification and solid-state microstructural evolution of material in the fusion and heat-affected zones of a weld. The model does not simulate thermal behavior, but rather utilizes user input parameters to specify weld pool and heat-affect zone properties. Weld pool shapes are specified by Bézier curves, which allow for the specification of a wide range of pool shapes. Pool shapes can range from narrow and deep to wide and shallow representing different fluid flow conditions within the pool. Surrounding temperature gradients are calculated with the aide of a closest point projection algorithm. The model also allows simulation of pulsed power welding through time-dependent variation of the weld pool size. Example simulation results and comparisons with laboratory weld observations demonstrate microstructural variation with weld speed, pool shape, and pulsed-power.

Real-time monitoring of laser powder bed fusion process using high-speed X-ray imaging and diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Cang; Fezzaa, Kamel; Cunningham, Ross W.

Here, we employ the high-speed synchrotron hard X-ray imaging and diffraction techniques to monitor the laser powder bed fusion (LPBF) process of Ti-6Al-4V in situ and in real time. We demonstrate that many scientifically and technologically significant phenomena in LPBF, including melt pool dynamics, powder ejection, rapid solidification, and phase transformation, can be probed with unprecedented spatial and temporal resolutions. In particular, the keyhole pore formation is experimentally revealed with high spatial and temporal resolutions. The solidification rate is quantitatively measured, and the slowly decrease in solidification rate during the relatively steady state could be a manifestation of the recalescencemore » phenomenon. The high-speed diffraction enables a reasonable estimation of the cooling rate and phase transformation rate, and the diffusionless transformation from β to α’ phase is evident. The data present here will facilitate the understanding of dynamics and kinetics in metal LPBF process, and the experiment platform established will undoubtedly become a new paradigm for future research and development of metal additive manufacturing.« less

Real-time monitoring of laser powder bed fusion process using high-speed X-ray imaging and diffraction

DOE PAGES

Zhao, Cang; Fezzaa, Kamel; Cunningham, Ross W.; ...

2017-06-15

Here, we employ the high-speed synchrotron hard X-ray imaging and diffraction techniques to monitor the laser powder bed fusion (LPBF) process of Ti-6Al-4V in situ and in real time. We demonstrate that many scientifically and technologically significant phenomena in LPBF, including melt pool dynamics, powder ejection, rapid solidification, and phase transformation, can be probed with unprecedented spatial and temporal resolutions. In particular, the keyhole pore formation is experimentally revealed with high spatial and temporal resolutions. The solidification rate is quantitatively measured, and the slowly decrease in solidification rate during the relatively steady state could be a manifestation of the recalescencemore » phenomenon. The high-speed diffraction enables a reasonable estimation of the cooling rate and phase transformation rate, and the diffusionless transformation from β to α’ phase is evident. The data present here will facilitate the understanding of dynamics and kinetics in metal LPBF process, and the experiment platform established will undoubtedly become a new paradigm for future research and development of metal additive manufacturing.« less

Borehole sealing method and apparatus

DOEpatents

Hartley, James N.; Jansen, Jr., George

1977-01-01

A method and apparatus is described for sealing boreholes in the earth. The borehole is blocked at the sealing level, and a sealing apparatus capable of melting rock and earth is positioned in the borehole just above seal level. The apparatus is heated to rock-melting temperature and powdered rock or other sealing material is transported down the borehole to the apparatus where it is melted, pooling on the mechanical block and allowed to cool and solidify, sealing the hole. Any length of the borehole can be sealed by slowly raising the apparatus in the borehole while continuously supplying powdered rock to the apparatus to be melted and added to the top of the column of molten and cooling rock, forming a continuous borehole seal. The sealing apparatus consists of a heater capable of melting rock, including means for supplying power to the heater, means for transporting powdered rock down the borehole to the heater, means for cooling the apparatus and means for positioning the apparatus in the borehole.

Dynamic Melting of Freezing Droplets on Ultraslippery Superhydrophobic Surfaces.

PubMed

Chu, Fuqiang; Wu, Xiaomin; Wang, Lingli

2017-03-08

Condensed droplet freezing and freezing droplet melting phenomena on the prepared ultraslippery superhydrophobic surface were observed and discussed in this study. Although the freezing delay performance of the surface is common, the melting of the freezing droplets on the surface is quite interesting. Three self-propelled movements of the melting droplets (ice- water mixture) were found including the droplet rotating, the droplet jumping, and the droplet sliding. The melting droplet rotating, which means that the melting droplet rotates spontaneously on the superhydrophobic surface like a spinning top, is first reported in this study and may have some potential applications in various engineering fields. The melting droplet jumping and sliding are similar to those occurring during condensation but have larger size scale and motion scale, as the melting droplets have extra-large specific surface area with much more surface energy available. These self-propelled movements make all the melting droplets on the superhydrophobic surface dynamic, easily removed, which may be promising for the anti-icing/frosting applications.

Examination of nanosecond laser melting thresholds in refractory metals by shear wave acoustics

NASA Astrophysics Data System (ADS)

Abdullaev, A.; Muminov, B.; Rakhymzhanov, A.; Mynbayev, N.; Utegulov, Z. N.

2017-07-01

Nanosecond laser pulse-induced melting thresholds in refractory (Nb, Mo, Ta and W) metals are measured using detected laser-generated acoustic shear waves. Obtained melting threshold values were found to be scaled with corresponding melting point temperatures of investigated materials displaying dissimilar shearing behavior. The experiments were conducted with motorized control of the incident laser pulse energies with small and uniform energy increments to reach high measurement accuracy and real-time monitoring of the epicentral acoustic waveforms from the opposite side of irradiated sample plates. Measured results were found to be in good agreement with numerical finite element model solving coupled elastodynamic and thermal conduction governing equations on structured quadrilateral mesh. Solid-melt phase transition was handled by means of apparent heat capacity method. The onset of melting was attributed to vanished shear modulus and rapid radial molten pool propagation within laser-heated metal leading to preferential generation of transverse acoustic waves from sources surrounding the molten mass resulting in the delay of shear wave transit times. Developed laser-based technique aims for applications involving remote examination of rapid melting processes of materials present in harsh environment (e.g. spent nuclear fuels) with high spatio-temporal resolution.

Shock driven melting and resolidification upon release in cerium

NASA Astrophysics Data System (ADS)

Bolme, Cindy; Bronkhorst, Curt; Brown, Don; Cherne, Frank; Cooley, Jason; Furlanetto, Michael; Gleason, Arianna; Jensen, Brian; Owens, Charles; Ali, Suzanne; Fratanduono, Dayne; Galtier, Eric; Granados, Eduardo; Lee, Hae Ja; Nagler, Bob

2017-06-01

The temperature rise due to increasing entropy during shock compression and the corresponding temperature decrease due to isentropic expansion upon release cause the physics of melting and solidification under dynamic pressure changes to differ fundamentally from the more common liquid-solid transitions governed by thermal diffusion. We investigated laser shock driven melting and resolidification during release in cerium to examine the dynamics of these processes. Cerium was selected as the material of study due to the low pressure at which γ-cerium melts along the principle Hugoniot and due to cerium's anomalous melt boundary at low pressure, which facilitates its transition from liquid to solid during isentropic release. The structural phase of cerium was probed with X-ray diffraction using the LCLS X-ray free electron laser, which provided in situ measurements of the transition dynamics. The experimental results will be presented showing the resolidification occurring over 10s of ns.

On the role of quantum ion dynamics for the anomalous melting of lithium

NASA Astrophysics Data System (ADS)

Elatresh, Sabri; Bonev, Stanimir

2011-03-01

Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically. The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.

Use of beam deflection to control an electron beam wire deposition process

NASA Technical Reports Server (NTRS)

Taminger, Karen M. (Inventor); Hofmeister, William H. (Inventor); Hafley, Robert A. (Inventor)

2013-01-01

A method for controlling an electron beam process wherein a wire is melted and deposited on a substrate as a molten pool comprises generating the electron beam with a complex raster pattern, and directing the beam onto an outer surface of the wire to thereby control a location of the wire with respect to the molten pool. Directing the beam selectively heats the outer surface of the wire and maintains the position of the wire with respect to the molten pool. An apparatus for controlling an electron beam process includes a beam gun adapted for generating the electron beam, and a controller adapted for providing the electron beam with a complex raster pattern and for directing the electron beam onto an outer surface of the wire to control a location of the wire with respect to the molten pool.

A study of process parameters on workpiece anisotropy in the laser engineered net shaping (LENSTM) process

NASA Astrophysics Data System (ADS)

Chandra, Shubham; Rao, Balkrishna C.

2017-06-01

The process of laser engineered net shaping (LENSTM) is an additive manufacturing technique that employs the coaxial flow of metallic powders with a high-power laser to form a melt pool and the subsequent deposition of the specimen on a substrate. Although research done over the past decade on the LENSTM processing of alloys of steel, titanium, nickel and other metallic materials typically reports superior mechanical properties in as-deposited specimens, when compared to the bulk material, there is anisotropy in the mechanical properties of the melt deposit. The current study involves the development of a numerical model of the LENSTM process, using the principles of computational fluid dynamics (CFD), and the subsequent prediction of the volume fraction of equiaxed grains to predict process parameters required for the deposition of workpieces with isotropy in their properties. The numerical simulation is carried out on ANSYS-Fluent, whose data on thermal gradient are used to determine the volume fraction of the equiaxed grains present in the deposited specimen. This study has been validated against earlier efforts on the experimental studies of LENSTM for alloys of nickel. Besides being applicable to the wider family of metals and alloys, the results of this study will also facilitate effective process design to improve both product quality and productivity.

Effect of Reduced Flux Iron Ore Pellets on Removal of Impurities from Pig Iron During Induction Melting: A New Phenomenon

NASA Astrophysics Data System (ADS)

Dishwar, Raj Kumar; Agrawal, Shavi; Mandal, A. K.; Mahobia, G. S.; Sinha, O. P.

2018-06-01

The present work represents a comparative study of impurity removal (sulfur, phosphorus, and carbon) from pig iron melt by the addition of lime powder and reduced fluxed iron ore pellets separately in a 5-kg-capacity induction melting furnace. Two types of reduced flux pellets (80% and 50%) of similar basicity ( 3.06) were charged separately into the pool to obtain the different oxidizing atmospheres of the bath. Results showed that the rate of impurity removal increases up to 6 min of exposure time and decreases afterward. Only lime powder charging, sulfur ( 77%), and a small fraction of carbon were removed from pig iron. Phosphorous ( 41%), sulfur ( 53%), and carbon ( 96%) were removed simultaneously when 80% reduced fluxed pellets were used. The present study indicates that the optimum removal of impurities is possible by charging 80% reduced flux iron ore pellets from the pig iron melt.

Structure and Dynamics Ionic Block co-Polymer Melts: Computational Study

NASA Astrophysics Data System (ADS)

Aryal, Dipak; Perahia, Dvora; Grest, Gary S.

Tethering ionomer blocks into co-polymers enables engineering of polymeric systems designed to encompass transport while controlling structure. Here the structure and dynamics of symmetric pentablock copolymers melts are probed by fully atomistic molecular dynamics simulations. The center block consists of randomly sulfonated polystyrene with sulfonation fractions f = 0 to 0.55 tethered to a hydrogenated polyisoprene (PI), end caped with poly(t-butyl styrene). We find that melts with f = 0.15 and 0.30 consist of isolated ionic clusters whereas melts with f = 0.55 exhibit a long-range percolating ionic network. Similar to polystyrene sulfonate, a small number of ionic clusters slow the mobility of the center of mass of the co-polymer, however, formation of the ionic clusters is slower and they are often intertwined with PI segments. Surprisingly, the segmental dynamics of the other blocks are also affected. NSF DMR-1611136; NERSC; Palmetto Cluster Clemson University; Kraton Polymers US, LLC.

Dynamics of DNA breathing: weak noise analysis, finite time singularity, and mapping onto the quantum Coulomb problem.

PubMed

Fogedby, Hans C; Metzler, Ralf

2007-12-01

We study the dynamics of denaturation bubbles in double-stranded DNA on the basis of the Poland-Scheraga model. We show that long time distributions for the survival of DNA bubbles and the size autocorrelation function can be derived from an asymptotic weak noise approach. In particular, below the melting temperature the bubble closure corresponds to a noisy finite time singularity. We demonstrate that the associated Fokker-Planck equation is equivalent to a quantum Coulomb problem. Below the melting temperature, the bubble lifetime is associated with the continuum of scattering states of the repulsive Coulomb potential; at the melting temperature, the Coulomb potential vanishes and the underlying first exit dynamics exhibits a long time power law tail; above the melting temperature, corresponding to an attractive Coulomb potential, the long time dynamics is controlled by the lowest bound state. Correlations and finite size effects are discussed.

Morphology of drying blood pools

NASA Astrophysics Data System (ADS)

Laan, Nick; Smith, Fiona; Nicloux, Celine; Brutin, David; D-Blood project Collaboration

2016-11-01

Often blood pools are found on crime scenes providing information concerning the events and sequence of events that took place on the scene. However, there is a lack of knowledge concerning the drying dynamics of blood pools. This study focuses on the drying process of blood pools to determine what relevant information can be obtained for the forensic application. We recorded the drying process of blood pools with a camera and measured the weight. We found that the drying process can be separated into five different: coagulation, gelation, rim desiccation, centre desiccation, and final desiccation. Moreover, we found that the weight of the blood pool diminishes similarly and in a reproducible way for blood pools created in various conditions. In addition, we verify that the size of the blood pools is directly related to its volume and the wettability of the surface. Our study clearly shows that blood pools dry in a reproducible fashion. This preliminary work highlights the difficult task that represents blood pool analysis in forensic investigations, and how internal and external parameters influence its dynamics. We conclude that understanding the drying process dynamics would be advancement in timeline reconstitution of events. ANR funded project: D-Blood Project.

Microstructure and Mechanical Behavior of 17-4 Precipitation Hardenable Steel Processed by Selective Laser Melting

NASA Astrophysics Data System (ADS)

Rafi, H. Khalid; Pal, Deepankar; Patil, Nachiket; Starr, Thomas L.; Stucker, Brent E.

2014-12-01

The mechanical behavior and the microstructural evolution of 17-4 precipitation hardenable (PH) stainless steel processed using selective laser melting have been studied. Test coupons were produced from 17-4 PH stainless steel powder in argon and nitrogen atmospheres. Characterization studies were carried out using mechanical testing, optical microscopy, scanning electron microscopy, and x-ray diffraction. The results show that post-process heat treatment is required to obtain typically desired tensile properties. Columnar grains of smaller diameters (<2 µm) emerged within the melt pool with a mixture of martensite and retained austenite phases. It was found that the phase content of the samples is greatly influenced by the powder chemistry, processing environment, and grain diameter.

Microstructure and inclusion of Ti-6Al-4V fabricated by selective laser melting

NASA Astrophysics Data System (ADS)

Huang, Qianli; Hu, Ningmin; Yang, Xing; Zhang, Ranran; Feng, Qingling

2016-12-01

Selective laser melting (SLM) was used in fabricating the dense part from pre-alloyed Ti-6Al-4V powder. The microstructural evolution and inclusion formation of as-fabricated part were characterized in depth. The microstructure was characterized by features of columnar prior β grains and acicular martensite α'. High density defects such as dislocations and twins can be produced in SLM process. Investigations on the inclusions find out that hard alpha inclusion, amorphous CaO and microcrystalline Al2O3 are three main inclusions formed in SLM. The inclusions formed at some specific sites on melt pool surface. The microstructural evolution and inclusion formation of as-fabricated material are closely related to the SLM process.

Application of ICME Methods for the Development of Rapid Manufacturing Technologies

NASA Astrophysics Data System (ADS)

Maiwald-Immer, T.; Göhler, T.; Fischersworring-Bunk, A.; Körner, C.; Osmanlic, F.; Bauereiß, A.

Rapid manufacturing technologies are lately gaining interest as alternative manufacturing method. Due to the large parameter sets applicable in these manufacturing methods and their impact on achievable material properties and quality, support of the manufacturing process development by the use of simulation is highly attractive. This is especially true for aerospace applications with their high quality demands and controlled scatter in the resulting material properties. The applicable simulation techniques to these manufacturing methods are manifold. The paper will focus on the melt pool simulation for a SLM (selective laser melting) process which was originally developed for EBM (electron beam melting). It will be discussed in the overall context of a multi-scale simulation within a virtual process chain.

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

NASA Astrophysics Data System (ADS)

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.

Molecular dynamics study of the melting of a supported 887-atom Pd decahedron.

PubMed

Schebarchov, D; Hendy, S C; Polak, W

2009-04-08

We employ classical molecular dynamics simulations to investigate the melting behaviour of a decahedral Pd(887) cluster on a single layer of graphite (graphene). The interaction between Pd atoms is modelled with an embedded-atom potential, while the adhesion of Pd atoms to the substrate is approximated with a Lennard-Jones potential. We find that the decahedral structure persists at temperatures close to the melting point, but that just below the melting transition, the cluster accommodates to the substrate by means of complete melting and then recrystallization into an fcc structure. These structural changes are in qualitative agreement with recently proposed models, and they verify the existence of an energy barrier preventing softly deposited clusters from 'wetting' the substrate at temperatures below the melting point.

Crystallization In High Level Waste (HLW) Glass Melters: Operational Experience From The Savannah River Site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fox, K. M.

2014-02-27

processing strategy for the Hanford Tank Waste Treatment and Immobilization Plant (WTP). The basis of this alternative approach is an empirical model predicting the crystal accumulation in the WTP glass discharge riser and melter bottom as a function of glass composition, time, and temperature. When coupled with an associated operating limit (e.g., the maximum tolerable thickness of an accumulated layer of crystals), this model could then be integrated into the process control algorithms to formulate crystal tolerant high level waste (HLW) glasses targeting higher waste loadings while still meeting process related limits and melter lifetime expectancies. This report provides amore » review of the scaled melter testing that was completed in support of the Defense Waste Processing Facility (DWPF) melter. Testing with scaled melters provided the data to define the DWPF operating limits to avoid bulk (volume) crystallization in the un-agitated DWPF melter and provided the data to distinguish between spinels generated by K-3 refractory corrosion versus spinels that precipitated from the HLW glass melt pool. This report includes a review of the crystallization observed with the scaled melters and the full scale DWPF melters (DWPF Melter 1 and DWPF Melter 2). Examples of actual DWPF melter attainment with Melter 2 are given. The intent is to provide an overview of lessons learned, including some example data, that can be used to advance the development and implementation of an empirical model and operating limit for crystal accumulation for WTP. Operation of the first and second (current) DWPF melters has demonstrated that the strategy of using a liquidus temperature predictive model combined with a 100 °C offset from the normal melter operating temperature of 1150 °C (i.e., the predicted liquidus temperature (TL) of the glass must be 1050 °C or less) has been successful in preventing any detrimental accumulation of spinel in the DWPF melt pool, and spinel has not been observed in any of the pour stream glass samples. Spinel was observed at the bottom of DWPF Melter 1 as a result of K-3 refractory corrosion. Issues have occurred with accumulation of spinel in the pour spout during periods of operation at higher waste loadings. Given that both DWPF melters were or have been in operation for greater than 8 years, the service life of the melters has far exceeded design expectations. It is possible that the DWPF liquidus temperature approach is conservative, in that it may be possible to successfully operate the melter with a small degree of allowable crystallization in the glass. This could be a viable approach to increasing waste loading in the glass assuming that the crystals are suspended in the melt and swept out through the riser and pour spout. Additional study is needed, and development work for WTP might be leveraged to support a different operating limit for the DWPF. Several recommendations are made regarding considerations that need to be included as part of the WTP crystal tolerant strategy based on the DWPF development work and operational data reviewed here. These include: Identify and consider the impacts of potential heat sinks in the WTP melter and glass pouring system; Consider the contributions of refractory corrosion products, which may serve to nucleate additional crystals leading to further accumulation; Consider volatilization of components from the melt (e.g., boron, alkali, halides, etc.) and determine their impacts on glass crystallization behavior; Evaluate the impacts of glass REDuction/OXidation (REDOX) conditions and the distribution of temperature within the WTP melt pool and melter pour chamber on crystal accumulation rate; Consider the impact of precipitated crystals on glass viscosity; Consider the impact of an accumulated crystalline layer on thermal convection currents and bubbler effectiveness within the melt pool; Evaluate the impact of spinel accumulation on Joule heating of the WTP melt pool; and Include noble metals in glass melt experiments because of their potential to act as nucleation sites for spinel crystallization.« less

Molecular dynamics study of the melting curve of NiTi alloy under pressure

NASA Astrophysics Data System (ADS)

Zeng, Zhao-Yi; Hu, Cui-E.; Cai, Ling-Cang; Chen, Xiang-Rong; Jing, Fu-Qian

2011-02-01

The melting curve of NiTi alloy was predicted by using molecular dynamics simulations combining with the embedded atom model potential. The calculated thermal equation of state consists well with our previous results obtained from quasiharmonic Debye approximation. Fitting the well-known Simon form to our Tm data yields the melting curves for NiTi: 1850(1 + P/21.938)0.328 (for one-phase method) and 1575(1 + P/7.476)0.305 (for two-phase method). The two-phase simulations can effectively eliminate the superheating in one-phase simulations. At 1 bar, the melting temperature of NiTi is 1575 ± 25 K and the corresponding melting slope is 64 K/GPa.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Wenjin; Peng, Yufeng; Liu, Zhongli, E-mail: zhongliliu@yeah.net

2014-05-15

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

Large-Scale Impact Cratering and Early Earth Evolution

NASA Technical Reports Server (NTRS)

Grieve, R. A. F.; Cintala, M. J.

1997-01-01

The surface of the Moon attests to the importance of large-scale impact in its early crustal evolution. Previous models of the effects of a massive bombardment on terrestrial crustal evolution have relied on analogies with the Moon, with allowances for the presence of water and a thinner lithosphere. It is now apparent that strict lunar-terrestrial analogies are incorrect because of the "differential scaling" of crater dimensions and melt volumes with event size and planetary gravity. Impact melt volumes and "ancient cavity dimensions for specific impacts were modeled according to previous procedures. In the terrestrial case, the melt volume (V(sub m)) exceeds that of the transient cavity (V(sub tc)) at diameters > or = 400 km. This condition is reached on the Moon only with transient cavity diameters > or = 3000 km, equivalent to whole Moon melting. The melt volumes in these large impact events are minimum estimates, since, at these sizes, the higher temperature of the target rocks at depth will increase melt production. Using the modification-scaling relation of Croft, a transient cavity diameter of about 400 km in the terrestrial environment corresponds to an expected final impact "basin" diameter of about 900 km. Such a "basin" would be comparable in dimensions to the lunar basin Orientale. This 900-km "basin" on the early Earth, however, would not have had the appearance of Orientale. It would have been essentially a melt pool, and, morphologically, would have had more in common with the palimpsests structures on Callisto and Ganymede. With the terrestrial equivalents to the large multiring basins of the Moon being manifested as muted palimpsest-like structures filled with impact melt, it is unlikely they played a role in establishing the freeboard on the early Earth. The composition of the massive impact melt sheets (> 10 (exp 7) cu km) produced in "basin-forming" events on the early Earth would have most likely ranged from basaltic to more mafic for the largest impacts, where the melt volume would have reached well into the mantle. Any contribution from adiabatic melting or shock heating of the asthenosphere would have had similar mafic compositions. The depth of the melt sheets is unknown but would have been in the multilkilometer range. Bodies of basaltic melt > or = 300 m thick differentiate in the terrestrial environment, with the degree of differentiation being a function of the thickness of the body. We therefore expect that these thick, closed-system melt pools would have differentiated into an ultramafic-mafic base and felsic top. If only 10% of the impact melt produced in a single event creating a 400-km diameter transient cavity evolved into felsic differentiates, they would be comparable in volume to the Columbia River basalts. It has been estimated that at least 200 impact events of this size or larger occurred on the early Earth during a period of heavy bombardment. We speculate that these massive differentiated melt sheets may have had a role in the formation of the initial felsic component of the Earth's crust. Additional information is contained in the original.

Study on Dynamic Development of Three-dimensional Weld Pool Surface in Stationary GTAW

NASA Astrophysics Data System (ADS)

Huang, Jiankang; He, Jing; He, Xiaoying; Shi, Yu; Fan, Ding

2018-04-01

The weld pool contains abundant information about the welding process. In particular, the type of the weld pool surface shape, i. e., convex or concave, is determined by the weld penetration. To detect it, an innovative laser-vision-based sensing method is employed to observe the weld pool surface of the gas tungsten arc welding (GTAW). A low-power laser dots pattern is projected onto the entire weld pool surface. Its reflection is intercepted by a screen and captured by a camera. Then the dynamic development process of the weld pool surface can be detected. By observing and analyzing, the change of the reflected laser dots reflection pattern, for shape of the weld pool surface shape, was found to closely correlate to the penetration of weld pool in the welding process. A mathematical model was proposed to correlate the incident ray, reflected ray, screen and surface of weld pool based on structured laser specular reflection. The dynamic variation of the weld pool surface and its corresponding dots laser pattern were simulated and analyzed. By combining the experimental data and the mathematical analysis, the results show that the pattern of the reflected laser dots pattern is closely correlated to the development of weld pool, such as the weld penetration. The concavity of the pool surface was found to increase rapidly after the surface shape was changed from convex to concave during the stationary GTAW process.

Liquid Dynamics in high melting materials studied by inelastic X-ray scattering

NASA Astrophysics Data System (ADS)

Sinn, Harald; Alatas, Ahmet; Said, Ayman; Alp, Esen E.; Price, David L.; Saboungi, Marie Louis; Scheunemann, Richard

2004-03-01

The transport properties of high melting materials are of interest for a variety of applications, including geo-sciences, nuclear waste confinement and aerospace technology. While traditional methods of measuring transport properties are often extremely difficult due to the high reactivity of the melts, the combination of containerless levitation and inelastic X-ray scattering offers new insights in the microscopic dynamics of these liquids. Data on the dynamic structure factor of liquid aluminum oxide and liquid boron between 2000-2800 degree Celsius are discussed and related to several macroscopic quantities like sound velocity, viscosity and diffusion.

Molecular characterization of dissolved organic matter associated with the Greenland ice sheet

NASA Astrophysics Data System (ADS)

Bhatia, Maya P.; Das, Sarah B.; Longnecker, Krista; Charette, Matthew A.; Kujawinski, Elizabeth B.

2010-07-01

Subsurface microbial oxidation of overridden soils and vegetation beneath glaciers and ice sheets may affect global carbon budgets on glacial-interglacial timescales. The likelihood and magnitude of this process depends on the chemical nature and reactivity of the subglacial organic carbon stores. We examined the composition of carbon pools associated with different regions of the Greenland ice sheet (subglacial, supraglacial, proglacial) in order to elucidate the type of dissolved organic matter (DOM) present in the subglacial discharge over a melt season. Electrospray ionization (ESI) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry coupled to multivariate statistics permitted unprecedented molecular level characterization of this material and revealed that carbon pools associated with discrete glacial regions are comprised of different compound classes. Specifically, a larger proportion of protein-like compounds were observed in the supraglacial samples and in the early melt season (spring) subglacial discharge. In contrast, the late melt season (summer) subglacial discharge contained a greater fraction of lignin-like and other material presumably derived from underlying vegetation and soil. These results suggest (1) that the majority of supraglacial DOM originates from autochthonous microbial processes on the ice sheet surface, (2) that the subglacial DOM contains allochthonous carbon derived from overridden soils and vegetation as well as autochthonous carbon derived from in situ microbial metabolism, and (3) that the relative contribution of allochthonous and autochthonous material in subglacial discharge varies during the melt season. These conclusions are consistent with the hypothesis that, given sufficient time (e.g., overwinter storage), resident subglacial microbial communities may oxidize terrestrial material beneath the Greenland ice sheet.

A coupled melt-freeze temperature index approach in a one-layer model to predict bulk volumetric liquid water content dynamics in snow

NASA Astrophysics Data System (ADS)

Avanzi, Francesco; Yamaguchi, Satoru; Hirashima, Hiroyuki; De Michele, Carlo

2016-04-01

Liquid water in snow rules runoff dynamics and wet snow avalanches release. Moreover, it affects snow viscosity and snow albedo. As a result, measuring and modeling liquid water dynamics in snow have important implications for many scientific applications. However, measurements are usually challenging, while modeling is difficult due to an overlap of mechanical, thermal and hydraulic processes. Here, we evaluate the use of a simple one-layer one-dimensional model to predict hourly time-series of bulk volumetric liquid water content in seasonal snow. The model considers both a simple temperature-index approach (melt only) and a coupled melt-freeze temperature-index approach that is able to reconstruct melt-freeze dynamics. Performance of this approach is evaluated at three sites in Japan. These sites (Nagaoka, Shinjo and Sapporo) present multi-year time-series of snow and meteorological data, vertical profiles of snow physical properties and snow melt lysimeters data. These data-sets are an interesting opportunity to test this application in different climatic conditions, as sites span a wide latitudinal range and are subjected to different snow conditions during the season. When melt-freeze dynamics are included in the model, results show that median absolute differences between observations and predictions of bulk volumetric liquid water content are consistently lower than 1 vol%. Moreover, the model is able to predict an observed dry condition of the snowpack in 80% of observed cases at a non-calibration site, where parameters from calibration sites are transferred. Overall, the analysis show that a coupled melt-freeze temperature-index approach may be a valid solution to predict average wetness conditions of a snow cover at local scale.

Evaluation of melting point of UO 2 by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

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

2009-06-01

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.

A Monte Carlo model for 3D grain evolution during welding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodgers, Theron M.; Mitchell, John A.; Tikare, Veena

Welding is one of the most wide-spread processes used in metal joining. However, there are currently no open-source software implementations for the simulation of microstructural evolution during a weld pass. Here we describe a Potts Monte Carlo based model implemented in the SPPARKS kinetic Monte Carlo computational framework. The model simulates melting, solidification and solid-state microstructural evolution of material in the fusion and heat-affected zones of a weld. The model does not simulate thermal behavior, but rather utilizes user input parameters to specify weld pool and heat-affect zone properties. Weld pool shapes are specified by Bezier curves, which allow formore » the specification of a wide range of pool shapes. Pool shapes can range from narrow and deep to wide and shallow representing different fluid flow conditions within the pool. Surrounding temperature gradients are calculated with the aide of a closest point projection algorithm. Furthermore, the model also allows simulation of pulsed power welding through time-dependent variation of the weld pool size. Example simulation results and comparisons with laboratory weld observations demonstrate microstructural variation with weld speed, pool shape, and pulsed-power.« less

A Monte Carlo model for 3D grain evolution during welding

DOE PAGES

Rodgers, Theron M.; Mitchell, John A.; Tikare, Veena

2017-08-04

Welding is one of the most wide-spread processes used in metal joining. However, there are currently no open-source software implementations for the simulation of microstructural evolution during a weld pass. Here we describe a Potts Monte Carlo based model implemented in the SPPARKS kinetic Monte Carlo computational framework. The model simulates melting, solidification and solid-state microstructural evolution of material in the fusion and heat-affected zones of a weld. The model does not simulate thermal behavior, but rather utilizes user input parameters to specify weld pool and heat-affect zone properties. Weld pool shapes are specified by Bezier curves, which allow formore » the specification of a wide range of pool shapes. Pool shapes can range from narrow and deep to wide and shallow representing different fluid flow conditions within the pool. Surrounding temperature gradients are calculated with the aide of a closest point projection algorithm. Furthermore, the model also allows simulation of pulsed power welding through time-dependent variation of the weld pool size. Example simulation results and comparisons with laboratory weld observations demonstrate microstructural variation with weld speed, pool shape, and pulsed-power.« less

Structural and dynamical properties of liquid Al-Au alloys

NASA Astrophysics Data System (ADS)

Peng, H. L.; Voigtmann, Th.; Kolland, G.; Kobatake, H.; Brillo, J.

2015-11-01

We investigate temperature- and composition-dependent structural and dynamical properties of Al-Au melts. Experiments are performed to obtain accurate density and viscosity data. The system shows a strong negative excess volume, similar to other Al-based binary alloys. We develop a molecular-dynamics (MD) model of the melt based on the embedded-atom method (EAM), gauged against the available experimental liquid-state data. A rescaling of previous EAM potentials for solid-state Au and Al improves the quantitative agreement with experimental data in the melt. In the MD simulation, the admixture of Au to Al can be interpreted as causing a local compression of the less dense Al system, driven by less soft Au-Au interactions. This local compression provides a microscopic mechanism explaining the strong negative excess volume of the melt. We further discuss the concentration dependence of self- and interdiffusion and viscosity in the MD model. Al atoms are more mobile than Au, and their increased mobility is linked to a lower viscosity of the melt.

A molecular dynamics study of melting and dissociation of tungsten nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Min; Wang, Jun; Fu, Baoqin

2015-12-15

Molecular dynamics simulations were conducted to study the melting and dissociation of free tungsten nanoparticles. For the various interatomic potentials applied, the melting points of the tungsten nanoparticles increased with increasing nanoparticle diameter. Combining these results with the melting point of bulk tungsten in the experiment, the melting point of nanoparticles with diameters ranging from 4 to 12 nm could be determined. As the temperature increases, free nanoparticles are subject to dissociation phenomena. The dissociation rate was observed to follow Arrhenius behavior, and the Meyer–Neldel rule was obeyed. These results are useful in understanding the behavior of tungsten dust generatedmore » in nuclear fusion devices as well as for the preparation, formation, and application of tungsten powders.« less

Melting and reactive flow of a volatilized mantle beneath mid-ocean ridges: theory and numerical models

NASA Astrophysics Data System (ADS)

Keller, Tobias; Katz, Richard F.

2015-04-01

Laboratory experiments indicate that even small concentrations volatiles (H2O or CO2) in the upper mantle significantly affect the silicate melting behavior [HK96,DH06]. The presence of volatiles stabilizes volatile-rich melt at high pressure, thus vastly increasing the volume of the upper mantle expected to be partially molten [H10,DH10]. These small-degree melts have important consequences for chemical differentiation and could affect the dynamics of mantle flow. We have developed theory and numerical implementation to simulate thermo-chemically coupled magma/mantle dynamics in terms of a two-phase (rock+melt), three component (dunite+MORB+volatilized MORB) physical model. The fluid dynamics is based on McKenzie's equations [McK84], while the thermo-chemical formulation of the system is represented by a novel disequilibrium multi-component melting model based on thermo-dynamic theory [RBS11]. This physical model is implemented as a parallel, two-dimensional, finite-volume code that leverages tools from the PETSc toolkit. Application of this simulation code to a mid-ocean ridge system suggests that the methodology captures the leading-order features of both hydrated and carbonated mantle melting, including deep, low-degree, volatile-rich melt formation. Melt segregation leads to continuous dynamic thermo-chemical dis-equilibration, while phenomenological reaction rates are applied to continually move the system towards re-equilibration. The simulations will be used first to characterize volatile extraction from the MOR system assuming a chemically homogeneous mantle. Subsequently, simulations will be extended to investigate the consequences of heterogeneity in lithology [KW12] and volatile content. These studies will advance our understanding of the role of volatiles in the dynamic and chemical evolution of the upper mantle. Moreover, they will help to gauge the significance of the coupling between the deep carbon cycle and the ocean/atmosphere system. REFERENCES HK96 Hirth & Kohlstedt (1996), Earth Planet Sci Lett DH06 Dasgupta & Hirschmann (2006), doi:10.1038/nature04612. H10 Hirschmann (2010), doi:10.1016/j.pepi.2009.12.003. DH10 Dasgupta & Hirschmann (2010), doi:10.1016/j.epsl.2010.06.039. McK84 McKenzie (1984), J Pet KW12 Katz & Weatherley (2012), doi: 10.1016/j.epsl.2012.04.042. RBS11 Rudge, Bercovici & Spiegelman (2011), doi: 10.1111/j.1365-246X.2010.04870.x

Ab initio molecular dynamics study of high-pressure melting of beryllium oxide

PubMed Central

Li, Dafang; Zhang, Ping; Yan, Jun

2014-01-01

We investigate, through first-principles molecular dynamics simulations, the high-pressure melting of BeO in the range 0 ≤ p ≤ 100 GPa. The wurtzite (WZ), zinc blend (ZB), and rocksalt (RS) phases of BeO are considered. It is shown that below 40 GPa, the melting temperature for the WZ phase is higher than that for the ZB and RS phases. When the pressure is beyond 66 GPa, the melting temperature for the RS phase is the highest one, in consistent with the previously reported phase diagram calculated within the quasiharmonic approximation. We find that in the medium pressure range between 40 to 66 GPa, the ZB melting data are very close to those of RS, which results from the fact that the ZB structure first transforms to RS phase before melting. The ZB-RS-liquid phase transitions have been observed directly during the molecular dynamics runs and confirmed using the pair correlation functions analysis. In addition, we propose the melting curve of BeO in the form Tm = 2696.05 (1 + P/24.67)0.42, the zero-pressure value of 2696.05 K falling into the experimental data range of 2693 ~ 2853 K. PMID:24759594

Structure and dynamics of a silica melt in neutral confinement

NASA Astrophysics Data System (ADS)

Geske, Julian; Drossel, Barbara; Vogel, Michael

2017-04-01

We analyze the effects of spatial confinement on viscous silica using molecular dynamics simulations. For this purpose, we prepare a silica melt in a cylindrical pore, which is produced by pinning appropriate fractions of silicon and oxygen atoms in a bulk system after an equilibration period. In this way, the structure of the confined silica melt remains unaffected, while the confinement has a strong impact on the dynamics. We find that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall. Moreover, we observe that static density correlations exist in the vicinity of the pore wall. Based on these effects, we determine dynamical and structural length scales of the silica melt. Both length scales show a similar increase upon cooling, with values on the order of the next-neighbor distances in the studied temperature range. Interestingly, we find no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt. This observation casts serious doubts on the relevance of these length scales for the structural relaxation, at least for the studied glass former.

Structure and dynamics of a silica melt in neutral confinement.

PubMed

Geske, Julian; Drossel, Barbara; Vogel, Michael

2017-04-07

We analyze the effects of spatial confinement on viscous silica using molecular dynamics simulations. For this purpose, we prepare a silica melt in a cylindrical pore, which is produced by pinning appropriate fractions of silicon and oxygen atoms in a bulk system after an equilibration period. In this way, the structure of the confined silica melt remains unaffected, while the confinement has a strong impact on the dynamics. We find that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall. Moreover, we observe that static density correlations exist in the vicinity of the pore wall. Based on these effects, we determine dynamical and structural length scales of the silica melt. Both length scales show a similar increase upon cooling, with values on the order of the next-neighbor distances in the studied temperature range. Interestingly, we find no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt. This observation casts serious doubts on the relevance of these length scales for the structural relaxation, at least for the studied glass former.

Intelligent Melting Probes - How to Make the Most out of our Data

NASA Astrophysics Data System (ADS)

Kowalski, J.; Clemens, J.; Chen, S.; Schüller, K.

2016-12-01

Direct exploration of glaciers, ice sheets, or subglacial environments poses a big challenge. Different technological solutions have been proposed and deployed in the last decades, examples being hot-water drills or different melting probe designs. Most of the recent engineering concepts integrate a variety of different on-board sensors, e.g. temperature sensors, pressure sensors, or an inertial measurement unit. Not only do individual sensors provide valuable insight into the current state of the probe, yet often they also contain a wealth of additional information when analyzed collectively. This quite naturally raises the question: How can we make most out of our data? We find that it is necessary to implement intelligent data integration and sensor fusion strategies to retrieve a maximum amount of information from the observations. In this contribution, we are inspired by the engineering design of the IceMole, a minimally invasive, steerable melting probe. We will talk about two sensor integration strategies relevant to IceMole melting scenarios. At first, we will present a multi-sensor fusion approach to accurately retrieve subsurface position and attitude information. It uses an extended Kalman filter to integrate data from an on-board IMU, a differential magnetometer system, the screw feed, as well as the travel time of acoustic signals originating from emitters at the ice surface. Furthermore, an evidential mapping algorithm estimates a map of the environment from data of ultrasound phased arrays in the probe's head. Various results from tests in a swimming pool and in glacier ice will be shown during the presentation. A second block considers the fluid-dynamical state in the melting channel, as well as the ambient cryo-environment. It is devoted to retrieving information from on-board temperature and pressure sensors. Here, we will report on preliminary results from re-analysing past field test data. Knowledge from integrated sensor data likewise provides valuable input for the parameter identification and verification of data based models. Due to the concept of not focusing on the physical laws, this approach can still be used, if modifications are done. It is highly transferable and hasn't been exploited rigorously so far. This could be a potential future direction.

Modelling of multi-vortex convection of fine alloying components in the molten pool under the laser radiation

NASA Astrophysics Data System (ADS)

Gurin, A. M.; Kovalev, O. B.

2013-06-01

The work is devoted to the mathematical modelling and numerical solution of the problems of conjugate micro-convection, which arises under the laser radiation action in the metal melt with surface-active refractory disperse components added for the modification, hardening, and doping of the treated surface. A multi-vortex structure of the melt flow has been obtained, the number of vortices in which depends on the surface tension variation, on the temperature and power of laser radiation. Special attention is paid to the numerical modelling of the behavior in the melt of the substrate of disperse admixture consisting of the tungsten carbide particles. The role of microconvection in the distribution of powder particles in the surface layer of the substrate after its cooling is shown.

Derivation of thermokarst distribution based on climate and surface characteristics

NASA Astrophysics Data System (ADS)

Schöngaßner, Thomas; Hagemann, Stefan

2013-04-01

About one quarter of the northern hemisphere is covered by permafrost. Permafrost areas inherit a high amount of deposited soil organic carbon, which represents approximately 50% of the estimated global below-ground organic carbon pool and is more than twice the size of the current atmospheric carbon pool. A destabilization due to the expected amplitude of future Arctic climate warming would lead to a global-scale feedback mechanism. This feedback comprise interactions between snow, permafrost, hydrology, and ecosystems, which include altered energy and water fluxes between atmosphere and land surface. The representation of permafrost related processes in GCMs and ESMs is still rudimentary and needs to be extended to improve the climate model performance in high latitudes. In this sense thermokarst processes should be included into JSBACH, the land-surface component of MPI-ESM. Initially, a 1-D scheme of thermal dynamics will be implemented into JSBACH, which fits into very recent developments with regards to permafrost melting and freezing (T. Blome; Ekici et al., in prep.) and a dynamical wetland scheme (Stacke and Hagemann, 2012). Structural improvements and new parametrization of the model are required with regard to heat and water flow (physical processes) and carbon and nitrogen dynamics (bio-geochemical processes). The implementation of a thermokarst module is one task within the EU project PAGE21 and is a joint activity between MPI-M Hamburg and MPI-BGC Jena. Thermokarst changes are coupled thermal-hydrological processes, which lead to an enhanced thawing of ice-rich permafrost on local-to-regional scales, where the soil structure is characterized by segregated ice and ice-wedges. They result in severe consequences for soil structure, hydrology, and depletion of soil organic carbon. Thermokarst affected areas appear as a very uneven surface of hummocks and marshy hollows. The initial heat balance of the surface is disturbed by different trigger mechanisms, which cause the ground ice to melt and the soil to subside into depressions due to developing cavities in the interior. The depressions fill up with melting and precipitating water. Since deeper water bodies do not freeze up entirely, the annual mean surface temperature increases in the soil beneath. Therefore permafrost thawing is continued and depressions grow further due to soil subsidence and slope wash at the margins until a new soil surface heat balance is reached. Here I'd like to give a short overview and an introduction into the ongoing thermokarst process in the Arctic tundra. The main focus will be on investigating the actual distribution of thermokarst lakes in the high northern latitudes. The development of thermokarst lakes depends on soil parameters like ice content, surface temperature, soil texture as well as on climate states like monthly mean temperature, precipitation, winter snow depth. They contribute to the surface heat balance and may serve as a measure for thermokarst potential. Since thermokarst mechanism is a small-scale process of 10-1000m in spatial extent, it needs to be parametrized for GCM applications on ESM grid scale. Thus, we want to derive the thermokarst distribution as a function of climate and soil parameters.

Constraints on the dynamics of melt migration, flow and emplacement across the continental crust

NASA Astrophysics Data System (ADS)

Cavalcante, Carolina; Viegas, Gustavo

2015-04-01

The presence of partial melting during deformation produces a drastic change in the rheological behavior of the continental crust. The rock strength decreases with melt fractions as low as ~0.7 %. At pressure/temperature conditions typical of the middle crust, melt-bearing systems may play a critical role in the processes of strain localization and in the overall strength of the continental lithosphere. In eastern Brazil, Neoproterozoic tectonics are often associated with wide partial melting and shear zone development, that promote the exhumation of mid- to lower crustal layers where compositionally heterogeneous anatexites with variable melt fractions and leucosome structures are exposed. The leucosomes usually form interconnected networks of magma that reflect the high melt content present during deformation. In this contribution we address two case studies encompassing the dynamics of melt flow at magma chambers, represented by the Carlos Chagas anatexite, and the mechanisms of melt migration and channeling through shear zones, in which the Patos shear zone serves as an analogue. Through detailed petrostructural studies of anatexites exposed at these settings, we aim to demonstrate the way melt deforms and localizes strain, the different patterns of melt flow pathways across the crust, and the implications for the mechanical behaviour of the Earth's lithosphere during orogenic deformation.

A Dynamic Mesh-Based Approach to Model Melting and Shape of an ESR Electrode

NASA Astrophysics Data System (ADS)

Karimi-Sibaki, E.; Kharicha, A.; Bohacek, J.; Wu, M.; Ludwig, A.

2015-10-01

This paper presents a numerical method to investigate the shape of tip and melt rate of an electrode during electroslag remelting process. The interactions between flow, temperature, and electromagnetic fields are taken into account. A dynamic mesh-based approach is employed to model the dynamic formation of the shape of electrode tip. The effect of slag properties such as thermal and electrical conductivities on the melt rate and electrode immersion depth is discussed. The thermal conductivity of slag has a dominant influence on the heat transfer in the system, hence on melt rate of electrode. The melt rate decreases with increasing thermal conductivity of slag. The electrical conductivity of slag governs the electric current path that in turn influences flow and temperature fields. The melting of electrode is a quite unstable process due to the complex interaction between the melt rate, immersion depth, and shape of electrode tip. Therefore, a numerical adaptation of electrode position in the slag has been implemented in order to achieve steady state melting. In fact, the melt rate, immersion depth, and shape of electrode tip are interdependent parameters of process. The generated power in the system is found to be dependent on both immersion depth and shape of electrode tip. In other words, the same amount of power was generated for the systems where the shapes of tip and immersion depth were different. Furthermore, it was observed that the shape of electrode tip is very similar for the systems running with the same ratio of power generation to melt rate. Comparison between simulations and experimental results was made to verify the numerical model.

Atmospheric Drivers of Greenland Surface Melt Revealed by Self-Organizing Maps

NASA Technical Reports Server (NTRS)

Mioduszewski, J. R.; Rennermalm, A. K.; Hammann, A.; Tedesco, M.; Noble, E. U.; Stroeve, J. C.; Mote, T. L.

2016-01-01

Recent acceleration in surface melt on the Greenland ice sheet (GrIS) has occurred concurrently with a rapidly warming Arctic and has been connected to persistent, anomalous atmospheric circulation patterns over Greenland. To identify synoptic setups favoring enhanced GrIS surface melt and their decadal changes, we develop a summer Arctic synoptic climatology by employing self-organizing maps. These are applied to daily 500 hPa geopotential height fields obtained from the Modern Era Retrospective Analysis for Research and Applications reanalysis, 1979-2014. Particular circulation regimes are related to meteorological conditions and GrIS surface melt estimated with outputs from the Modèle Atmosphérique Régional. Our results demonstrate that the largest positive melt anomalies occur in concert with positive height anomalies near Greenland associated with wind, temperature, and humidity patterns indicative of strong meridional transport of heat and moisture. We find an increased frequency in a 500 hPa ridge over Greenland coinciding with a 63% increase in GrIS melt between the 1979-1988 and 2005-2014 periods, with 75.0% of surface melt changes attributed to thermodynamics, 17% to dynamics, and 8.0% to a combination. We also confirm that the 2007-2012 time period has the largest dynamic forcing relative of any period but also demonstrate that increased surface energy fluxes, temperature, and moisture separate from dynamic changes contributed more to melt even during this period. This implies that GrIS surface melt is likely to continue to increase in response to an ever warmer future Arctic, regardless of future atmospheric circulation patterns.

Solid-liquid phase coexistence of alkali nitrates from molecular dynamics simulations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jayaraman, Saivenkataraman

2010-03-01

Alkali nitrate eutectic mixtures are finding application as industrial heat transfer fluids in concentrated solar power generation systems. An important property for such applications is the melting point, or phase coexistence temperature. We have computed melting points for lithium, sodium and potassium nitrate from molecular dynamics simulations using a recently developed method, which uses thermodynamic integration to compute the free energy difference between the solid and liquid phases. The computed melting point for NaNO3 was within 15K of its experimental value, while for LiNO3 and KNO3, the computed melting points were within 100K of the experimental values [4]. We aremore » currently extending the approach to calculate melting temperatures for binary mixtures of lithium and sodium nitrate.« less

Marsh Pool and Tidal Creek Morphodynamics: Dynamic Equilibrium of New England Saltmarshes?

NASA Astrophysics Data System (ADS)

Wilson, C.; FitzGerald, D. M.; Hughes, Z. J.

2012-12-01

Under natural conditions, high saltmarsh platforms in New England exhibit poor drainage, creating waterlogged pannes (where short-form Spartina alterniflora dominates) and stagnant pools that experience tidal exchange only during spring tides and storm-induced flooding events. It is well accepted that a legacy of ditching practices (either for agriculture or mosquito control purposes) provide "overdrainage" of saltmarshes (after Redfield, 1972) and a shift in biogeochemical conditions: lowering of groundwater tables, aeration of soil, and decrease in preserved belowground biomass. Analysis of historical imagery in the Plum Island Estuary of Massachusetts reveals closure and decrease in length of anthropogenic ditches in recent decades is closely linked to marsh pool evolution. Field analyses including stratigraphic transects and elevation surveys suggest these marshes are reverting to natural drainage conditions. Further, an important dynamic interaction exists between saltmarsh pools and natural tidal creeks: creeks incise into pool areas, causing drainage of the pools, and formation of an unvegetated mudflat which can be rapidly recolonized by halophytic Spartina alterniflora vegetation. It was determined that pool and creek dynamics are cyclic in nature. The marsh platform is in dynamic equilibrium with respect to elevation and sea-level whereby marsh elevation may be lost (due to degradation of organic matter and formation of a pool) however may be regained (by creek incision into pools, restoration of tidal exchange, and rapid vertical accretion with Spartina alterniflora recolonization. Since vertical accretion in saltmarshes is a function of both organic and inorganic contributions to the marsh subsurface, it is hypothesized that cannibalization of existing muds is supplying inorganic material in this sediment starved system.

Saltmarsh pool and tidal creek morphodynamics: Dynamic equilibrium of northern latitude saltmarshes?

NASA Astrophysics Data System (ADS)

Wilson, Carol A.; Hughes, Zoe J.; FitzGerald, Duncan M.; Hopkinson, Charles S.; Valentine, Vinton; Kolker, Alexander S.

2014-05-01

Many saltmarsh platforms in New England and other northern climates (e.g. Canada, northern Europe) exhibit poor drainage, creating waterlogged regions where short-form Spartina alterniflora dominates and stagnant pools that experience tidal exchange only during spring tides and storm-induced flooding events. The processes related to pool formation and tidal creek incision (via headward erosion) that may eventually drain these features are poorly understood, however it has been suggested that an increase in pool occurrence in recent decades is due to waterlogging stress from sea-level rise. We present evidence here that saltmarshes in Plum Island Estuary of Massachusetts are keeping pace with sea-level rise, and that the recent increase in saltmarsh pool area coincides with changes in drainage density from a legacy of anthropogenic ditching (reversion to natural drainage conditions). Gradients, in addition to elevation and hydroperiod, are critical for saltmarsh pool formation. Additionally, elevation and vegetative changes associated with pool formation, creek incision, subsequent drainage of pools, and recolonization by S. alterniflora are quantified. Pool and creek dynamics were found to be cyclic in nature, and represent platform elevation in dynamic equilibrium with sea level whereby saltmarsh elevation may be lowered (due to degradation of organic matter and formation of a pool), however may be regained on short timescales (101-2 yr) with creek incision into pools and restoration of tidal exchange. Rapid vertical accretion is associated with sedimentation and S. alterniflora plant recolonization.

Simulation of the Continuous Casting and Cooling Behavior of Metallic Glasses

PubMed Central

Pei, Zhipu; Ju, Dongying

2017-01-01

The development of melt spinning technique for preparation of metallic glasses was summarized. The limitations as well as restrictions of the melt spinning embodiments were also analyzed. As an improvement and variation of the melt spinning method, the vertical-type twin-roll casting (VTRC) process was discussed. As the thermal history experienced by the casting metals to a great extent determines the qualities of final products, cooling rate in the quenching process is believed to have a significant effect on glass formation. In order to estimate the ability to produce metallic glasses by VTRC method, temperature and flow phenomena of the melt in molten pool were computed, and cooling rates under different casting conditions were calculated with the simulation results. Considering the fluid character during casting process, the material derivative method based on continuum theory was adopted in the cooling rate calculation. Results show that the VTRC process has a good ability in continuous casting metallic glassy ribbons. PMID:28772779

Simulation of the Continuous Casting and Cooling Behavior of Metallic Glasses.

PubMed

Pei, Zhipu; Ju, Dongying

2017-04-17

The development of melt spinning technique for preparation of metallic glasses was summarized. The limitations as well as restrictions of the melt spinning embodiments were also analyzed. As an improvement and variation of the melt spinning method, the vertical-type twin-roll casting (VTRC) process was discussed. As the thermal history experienced by the casting metals to a great extent determines the qualities of final products, cooling rate in the quenching process is believed to have a significant effect on glass formation. In order to estimate the ability to produce metallic glasses by VTRC method, temperature and flow phenomena of the melt in molten pool were computed, and cooling rates under different casting conditions were calculated with the simulation results. Considering the fluid character during casting process, the material derivative method based on continuum theory was adopted in the cooling rate calculation. Results show that the VTRC process has a good ability in continuous casting metallic glassy ribbons.

Melt migration modeling in partially molten upper mantle

NASA Astrophysics Data System (ADS)

Ghods, Abdolreza

The objective of this thesis is to investigate the importance of melt migration in shaping major characteristics of geological features associated with the partial melting of the upper mantle, such as sea-floor spreading, continental flood basalts and rifting. The partial melting produces permeable partially molten rocks and a buoyant low viscosity melt. Melt migrates through the partially molten rocks, and transfers mass and heat. Due to its much faster velocity and appreciable buoyancy, melt migration has the potential to modify dynamics of the upwelling partially molten plumes. I develop a 2-D, two-phase flow model and apply it to investigate effects of melt migration on the dynamics and melt generation of upwelling mantle plumes and focusing of melt migration beneath mid-ocean ridges. Melt migration changes distribution of the melt-retention buoyancy force and therefore affects the dynamics of the upwelling plume. This is investigated by modeling a plume with a constant initial melt of 10% where no further melting is considered. Melt migration polarizes melt-retention buoyancy force into high and low melt fraction regions at the top and bottom portions of the plume and therefore results in formation of a more slender and faster upwelling plume. Allowing the plume to melt as it ascends through the upper mantle also produces a slender and faster plume. It is shown that melt produced by decompressional melting of the plume migrates to the upper horizons of the plume, increases the upwelling velocity and thus, the volume of melt generated by the plume. Melt migration produces a plume which lacks the mushroom shape observed for the plume models without melt migration. Melt migration forms a high melt fraction layer beneath the sloping base of the impermeable oceanic lithosphere. Using realistic conditions of melting, freezing and melt extraction, I examine whether the high melt fraction layer is able to focus melt from a wide partial melting zone to a narrow region beneath the observed neo-volcanic zone. My models consist of three parts; lithosphere, asthenosphere and a melt extraction region. It is shown that melt migrates vertically within the asthenosphere, and forms a high melt fraction layer beneath the sloping base of the impermeable lithosphere. Within the sloping high melt fraction layer, melt migrates laterally towards the ridge. In order to simulate melt migration via crustal fractures and cracks, melt is extracted from a melt extraction region extending to the base of the crust. Performance of the melt focusing mechanism is not significantly sensitive to the size of melt extraction region, melt extraction threshold and spreading rate. In all of the models, about half of the total melt production freezes beneath the cooling base of the lithosphere, and the rest is effectively focused towards the ridge and forms the crust. To meet the computational demand for a precise tracing of the deforming upwelling plume and including the chemical buoyancy of the partially molten zone in my models, a new numerical method is developed to solve the related pure advection equations. The numerical method is based on Second Moment numerical method of Egan and Mahoney [1972] which is improved to maintain a high numerical accuracy in shear and rotational flow fields. In comparison with previous numerical methods, my numerical method is a cost-effective, non-diffusive and shape preserving method, and it can also be used to trace a deforming body in compressible flow fields.

Greenland ice sheet motion insensitive to exceptional meltwater forcing.

PubMed

Tedstone, Andrew J; Nienow, Peter W; Sole, Andrew J; Mair, Douglas W F; Cowton, Thomas R; Bartholomew, Ian D; King, Matt A

2013-12-03

Changes to the dynamics of the Greenland ice sheet can be forced by various mechanisms including surface-melt-induced ice acceleration and oceanic forcing of marine-terminating glaciers. We use observations of ice motion to examine the surface melt-induced dynamic response of a land-terminating outlet glacier in southwest Greenland to the exceptional melting observed in 2012. During summer, meltwater generated on the Greenland ice sheet surface accesses the ice sheet bed, lubricating basal motion and resulting in periods of faster ice flow. However, the net impact of varying meltwater volumes upon seasonal and annual ice flow, and thus sea level rise, remains unclear. We show that two extreme melt events (98.6% of the Greenland ice sheet surface experienced melting on July 12, the most significant melt event since 1889, and 79.2% on July 29) and summer ice sheet runoff ~3.9 σ above the 1958-2011 mean resulted in enhanced summer ice motion relative to the average melt year of 2009. However, despite record summer melting, subsequent reduced winter ice motion resulted in 6% less net annual ice motion in 2012 than in 2009. Our findings suggest that surface melt-induced acceleration of land-terminating regions of the ice sheet will remain insignificant even under extreme melting scenarios.

Additive manufacturing of 316L stainless steel by electron beam melting for nuclear fusion applications

NASA Astrophysics Data System (ADS)

Zhong, Yuan; Rännar, Lars-Erik; Liu, Leifeng; Koptyug, Andrey; Wikman, Stefan; Olsen, Jon; Cui, Daqing; Shen, Zhijian

2017-04-01

A feasibility study was performed to fabricate ITER In-Vessel components by one of the metal additive manufacturing methods, Electron Beam Melting® (EBM®). Solid specimens of SS316L with 99.8% relative density were prepared from gas atomized precursor powder granules. After the EBM® process the phase remains as austenite and the composition has practically not been changed. The RCC-MR code used for nuclear pressure vessels provides guidelines for this study and tensile tests and Charpy-V tests were carried out at 22 °C (RT) and 250 °C (ET). This work provides the first set of mechanical and microstructure data of EBM® SS316L for nuclear fusion applications. The mechanical testing shows that the yield strength, ductility and toughness are well above the acceptance criteria and only the ultimate tensile strength of EBM® SS316L is below the RCC-MR code. Microstructure characterizations reveal the presence of hierarchical structures consisting of solidified melt pools, columnar grains and irregular shaped sub-grains. Lots of precipitates enriched in Cr and Mo are observed at columnar grain boundaries while no sign of element segregation is shown at the sub-grain boundaries. Such a unique microstructure forms during a non-equilibrium process, comprising rapid solidification and a gradient 'annealing' process due to anisotropic thermal flow of accumulated heat inside the powder granule matrix. Relations between process parameters, specimen geometry (total building time) and sub-grain structure are discussed. Defects are formed mainly due to the large layer thickness (100 μm) which generates insufficient bonding between a few of the adjacently formed melt pools during the process. Further studies should focus on adjusting layer thickness to improve the strength of EBM® SS316L and optimizing total building time.

Influence of Glacier Melting and River Discharges on the Nutrient Distribution and DIC Recycling in the Southern Chilean Patagonia

NASA Astrophysics Data System (ADS)

Vargas, Cristian A.; Cuevas, L. Antonio; Silva, Nelson; González, Humberto E.; De Pol-Holz, Ricardo; Narváez, Diego A.

2018-01-01

The Chilean Patagonia constitutes one of the most important and extensive fjord systems worldwide, therefore can be used as a natural laboratory to elucidate the pathway of both organic and inorganic matter in the receiving environment. In this study we use data collected during an intensive oceanographic cruise along the Magellan Strait into the Almirantazgo Fjord in southern Patagonia to evaluate how different sources of dissolved inorganic carbon (DIC) and recycling may impact particulate organic carbon (POC) δ13C and influence the nutrients and carbonate system spatial distribution. The carbonate system presented large spatial heterogeneity. The lowest total alkalinity and DIC were associated to freshwater dilution observed near melting glaciers. The δ13CDIC analysis suggests that most DIC in the upper 50 m depth was not derived from terrestrial organic matter remineralization. 13C-depleted riverine and ice-melting DIC influence the DIC pool along the study area, but due to that DIC concentration from rivers and glaciers is relatively low, atmospheric carbon contribution or biological processes seem to be more relevant. Intense undersaturation of CO2 was observed in high chlorophyll waters. Respired DIC coming from the bottom waters seems to be almost insignificant for the inorganic carbon pool and therefore do not impact significantly the stable carbon isotopic composition of dissolved organic carbon and POC in the upper 50 m depth. Considering the combined effect of cold and low alkalinity waters due to ice melting, our results highlight the importance of these processes in determining corrosive waters for CaCO3 and local acidification processes associated to calving glacier in fjord ecosystems.

Tracking the course of the manufacturing process in selective laser melting

NASA Astrophysics Data System (ADS)

Thombansen, U.; Gatej, A.; Pereira, M.

2014-02-01

An innovative optical train for a selective laser melting based manufacturing system (SLM) has been designed under the objective to track the course of the SLM process. In this, the thermal emission from the melt pool and the geometric properties of the interaction zone are addressed by applying a pyrometer and a camera system respectively. The optical system is designed such that all three radiations from processing laser, thermal emission and camera image are coupled coaxially and that they propagate on the same optical axis. As standard f-theta lenses for high power applications inevitably lead to aberrations and divergent optical axes for increasing deflection angles in combination with multiple wavelengths, a pre-focus system is used to implement a focusing unit which shapes the beam prior to passing the scanner. The sensor system records synchronously the current position of the laser beam, the current emission from the melt pool and an image of the interaction zone. Acquired data of the thermal emission is being visualized after processing which allows an instant evaluation of the course of the process at any position of each layer. As such, it provides a fully detailed history of the product This basic work realizes a first step towards self-optimization of the manufacturing process by providing information about quality relevant events during manufacture. The deviation from the planned course of the manufacturing process to the actual course of the manufacturing process can be used to adapt the manufacturing strategy from one layer to the next. In the current state, the system can be used to facilitate the setup of the manufacturing system as it allows identification of false machine settings without having to analyze the work piece.

Transport properties of carbonated silicate melt at high pressure

PubMed Central

Ghosh, Dipta B.; Karki, Bijaya B.

2017-01-01

Carbon dioxide, generally considered as the second most abundant volatile component in silicate magmas, is expected to significantly influence various melt properties. In particular, our knowledge about its dynamical effects is lacking over most of Earth’s mantle pressure regime. Here, we report the first-principles molecular dynamics results on the transport properties of carbonated MgSiO3 liquid under conditions of mantle relevance. They show that dissolved CO2 systematically enhances the diffusion rates of all elements and lowers the melt viscosity on average by factors of 1.5 to 3 over the pressure range considered. It is remarkable that CO2 has very little or no influence on the electrical conductivity of the silicate melt under most conditions. Simulations also predict anomalous dynamical behavior, increasing diffusivity and conductivity and decreasing viscosity with compression in the low-pressure regime. This anomaly and the concomitant increase of pressure and temperature with depth together make these transport coefficients vary modestly over extended portions of the mantle regime. It is possible that the melt electrical conductivity under conditions corresponding to the 410- and 660-km seismic discontinuities is at a detectable level by electromagnetic sounding observation. In addition, the low melt viscosity values of 0.2 to 0.5 Pa⋅s at these depths and near the core-mantle boundary may imply high mobility of possible melts in these regions. PMID:29226244

Existence, stability, and nonlinear dynamics of detached Bridgman growth states under zero gravity

NASA Astrophysics Data System (ADS)

Yeckel, Andrew; Derby, Jeffrey J.

2011-01-01

A thermocapillary model is used to study the existence, stability, and nonlinear dynamics of detached melt crystal growth in a vertical Bridgman system under zero gravity conditions. The model incorporates time-dependent heat, mass, and momentum transport, and accounts for temperature-dependent surface tension effects at the menisci bounding the melt. The positions of the menisci and phase-change boundary are computed to satisfy the conservation laws rigorously. A rich bifurcation structure in gap width versus pressure difference is uncovered, demarcating conditions under which growth with a stable gap is feasible. Thermal effects shift the bifurcation diagram to a slightly different pressure range, but do not alter its general structure. Necking and freeze-off are shown to be two different manifestations of the same instability mechanism. Supercooling of melt at the meniscus and low thermal gradients in the melt ahead of the crystal-melt-gas triple phase line, either of which may be destabilizing, are both observed under some conditions. The role of wetting and growth angles in dynamic shape stability is clarified.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jack, Robert L.; Berthier, Ludovic

2016-06-28

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

Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salerno, K. Michael; Agrawal, Anupriya; Perahia, Dvora

2016-02-05

Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly modeled. In this paper, we probe the degree of coarse graining required to simultaneously retain significant atomistic details and access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using linear polyethylene as a model system, we probe how the coarse-graining scale affects the measured dynamics. Iterative Boltzmann inversion ismore » used to derive coarse-grained potentials with 2–6 methylene groups per coarse-grained bead from a fully atomistic melt simulation. We show that atomistic detail is critical to capturing large-scale dynamics. Finally, using these models we simulate polyethylene melts for times over 500 μs to study the viscoelastic properties of well-entangled polymer melts.« less

Geothermal Cogeneration: Iceland's Nesjavellir Power Plant

ERIC Educational Resources Information Center

Rosen, Edward M.

2008-01-01

Energy use in Iceland (population 283,000) is higher per capita than in any other country in the world. Some 53.2% of the energy is geothermal, which supplies electricity as well as heated water to swimming pools, fish farms, snow melting, greenhouses, and space heating. The Nesjavellir Power Plant is a major geothermal facility, supplying both…

Corrosion Behavior of Heat-Treated AlSi10Mg Manufactured by Laser Powder Bed Fusion.

PubMed

Cabrini, Marina; Calignano, Flaviana; Fino, Paolo; Lorenzi, Sergio; Lorusso, Massimo; Manfredi, Diego; Testa, Cristian; Pastore, Tommaso

2018-06-21

This experimental work is aimed at studying the effect of microstructural modifications induced by post-processing heat treatments on the corrosion behavior of silicon-aluminum alloys produced by means of laser powder bed fusion (LPBF). The manufacturing technique leads to microstructures characterized by the presence of melt pools, which are quite different compared to casting alloys. In this study, the behavior of an AlSi10Mg alloy was evaluated by means of intergranular corrosion tests according to ISO 11846 standard on heat-treated samples ranging from 200 to 500 °C as well as on untreated samples. We found that temperatures above 200 °C reduced microhardness of the alloy, and different corrosion morphologies occurred due to the modification of both size and distribution of silicon precipitates. Selective penetrating attacks occurred at melt pool borders. The intergranular corrosion phenomena were less intense for as-produced specimens without heat treatments compared to the heat-treated specimens at 200 and 300 °C. General corrosion morphologies were noticed for specimens heat treated at temperatures exceeding 400 °C.

Dynamic Crystallization Experiments on LEW97008: Experimental Reproduction of Chondroid Textures

NASA Technical Reports Server (NTRS)

Nettles, J. W.; Le, L.; Lofgren, G. E.; McSween, H. Y, Jr.

2003-01-01

Dynamic crystallization experiments were conducted using LEW97008 (L3.4) as starting material. Experiments were melted at temperatures well below its liquidus (1250-1450 C) in order to document the textural and compositional changes that occur in UOC material with modest amounts of partial melting and subsequent crystallization. The textures of the experimental products compare very well to natural chondroids (partially melted nebular particles that would become chondrules if more completely melted). Thus it is possible to use the textures in these experiments as a guide to unraveling the melting and cooling histories of natural chondroids. The Antarctic meteorite LEW97008 was chosen as the starting material for our experiments. As an L3.4 it is slightly more metamorphosed than would ordinarily be preferred, but this meteorite is unusually fresh for an Antarctic meteorite, which made it attractive.

Microorganisms Trapped Within Permafrost Ice In The Fox Permafrost Tunnel, Alaska

NASA Astrophysics Data System (ADS)

Katayama, T.; Tanaka, M.; Douglas, T. A.; Cai, Y.; Tomita, F.; Asano, K.; Fukuda, M.

2008-12-01

Several different types of massive ice are common in permafrost. Ice wedges are easily recognized by their shape and foliated structure. They grow syngenetically or epigenetically as a result of repeated cycles of frost cracking followed by the infiltration of snow, melt water, soil or other material into the open frost cracks. Material incorporated into ice wedges becomes frozen and preserved. Pool ice, another massive ice type, is formed by the freezing of water resting on top of frozen thermokarst sediment or melting wedges and is not foliated. The Fox Permafrost Tunnel in Fairbanks was excavated within the discontinuous permafrost zone of central Alaska and it contains permafrost, ice wedges, and pool ice preserved at roughly -3°C. We collected samples from five ice wedges and three pool ice structures in the Fox Permafrost Tunnel. If the microorganisms were incorporated into the ice during its formation, a community analysis of the microorganisms could elucidate the environment in which the ice was formed. Organic material from sediments in the tunnel was radiocarbon-dated between 14,000 and 30,000 years BP. However, it is still not clear when the ice wedges were formed or subsequently deformed because they are only partially exposed and their upper surfaces are above the tunnel walls. The objectives of our study were to determine the biogeochemical conditions during massive ice formation and to analyze the microbial community within the ices by incubation-based and DNA-based analyses. The geochemical profile and the PCR-DGGE band patterns of bacteria among five ice wedge and 3 portions of pool ice samples were markedly different. The DGGE band patterns of fungi were simple with a few bands of fungi or yeast. The dominant bands of ice wedge and pool ice samples were affiliated with the genus Geomyces and Doratomyces, respectively. Phylogenetic analysis using rRNA gene ITS regions indicated isolates of Geomyces spp. from different ice wedges were affiliated with different clusters. The enumeration of fungal colonies among the ice wedge and pool ice samples were also different. These results demonstrate that different massive ice structures had different microbial and geochemical environments or backgrounds when they were formed.

Advancing dynamic and thermodynamic modelling of magma oceans

NASA Astrophysics Data System (ADS)

Bower, Dan; Wolf, Aaron; Sanan, Patrick; Tackley, Paul

2017-04-01

The techniques for modelling low melt-fraction dynamics in planetary interiors are well-established by supplementing the Stokes equations with Darcy's Law. But modelling high-melt fraction phenomena, relevant to the earliest phase of magma ocean cooling, necessitates parameterisations to capture the dynamics of turbulent flow that are otherwise unresolvable in numerical models. Furthermore, it requires knowledge about the material properties of both solid and melt mantle phases, the latter of which are poorly described by typical equations of state. To address these challenges, we present (1) a new interior evolution model that, in a single formulation, captures both solid and melt dynamics and hence charts the complete cooling trajectory of a planetary mantle, and (2) a physical and intuitive extension of a "Hard Sphere" liquid equation of state (EOS) to describe silicate melt properties for the pressure-temperature (P-T) range of Earth's mantle. Together, these two advancements provide a comprehensive and versatile modelling framework for probing the far-reaching consequences of magma ocean cooling and crystallisation for Earth and other rocky planets. The interior evolution model accounts for heat transfer by conduction, convection, latent heat, and gravitational separation. It uses the finite volume method to ensure energy conservation at each time-step and accesses advanced time integration algorithms by interfacing with PETSc. This ensures it accurately and efficiently computes the dynamics throughout the magma ocean, including within the ultra-thin thermal boundary layers (< 2 cm thickness) at the core-mantle boundary and surface. PETSc also enables our code to support a parallel implementation and quad-precision calculations for future modelling capabilities. The thermodynamics of mantle melting are represented using a pseudo-one-component model, which retains the simplicity of a standard one-component model while introducing a finite temperature interval for melting (important for multi-component systems). Our new high P-T liquid EOS accurately captures the energetics and physical properties of the partially molten system whilst retaining the largest number of familiar EOS parameters. We demonstrate the power of our integrated dynamic and EOS model by exploring two crystallisation scenarios for Earth that are dictated by the coincidence of the liquid adiabat and melting curve. Experiments on melting of primitive chondrite composition predict that crystallisation occurs from the "bottom-up", whereas molecular dynamics simulations of MgSiO3 perovskite suggest crystallisation occurs from the "middle-out". In each case, we evaluate the lifetime of the magma ocean using our model and find that in both scenarios, initial cooling is rapid and the rheological transition (boundary between melt- and solid-like behaviour) is reached within a few kyrs. During this stage efficient mixing prevents the establishment of thermal and chemical heterogeneity, so it may be challenging to locate a signature of the earliest phase of magma ocean evolution. At the rheological transition, cooling is governed by gravitational separation and viscous creep, and even in the absence of iron partitioning our models predict long-lasting (> 500 Myr) melt at the base of the mantle.

Equilibrium and Dynamics Properties of Poly(oxyethylene) Melts and Related Poly(alkylethers) from Simulations and Ab Initio Calculations

NASA Technical Reports Server (NTRS)

Smith, Grant D.; Jaffe, R. L.; Yoon, D. Y.; Arnold, James O. (Technical Monitor)

1994-01-01

Molecular dynamics simulations of POE melts have been performed utilizing a potential force field parameterized to reproduce conformer energies and rotational energy barriers in dimethoxyethane as determined from ab initio electronic structure calculations. Chain conformations and dimensions of POE from the simulations were found to be in good agreement with predictions of a rotational isomeric state (RIS) model based upon the ab initio conformational. energies. The melt chains were found to be somewhat extended relative to chains at theta conditions. This effect will be discussed in light of neutron scattering experiments which indicate that POE chains are extended in the melt relative to theta solutions. The conformational characteristics of POE chains will also be compared with those of other poly (alkylethers), namely poly(oxymethylene), poly(oxytrimethylene) and poly(oxytetramethylene). Local conformational dynamics were found to be more rapid than in polymethylene. Calculated C-H vector correlation times were found to be in reasonable agreement with experimental values from C-13 NMR spin-lattice relaxation times. The influence of ionic salts on local conformations and dynamics will also be discussed.

An assessment of the CORCON-MOD3 code. Part 1: Thermal-hydraulic calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strizhov, V.; Kanukova, V.; Vinogradova, T.

1996-09-01

This report deals with the subject of CORCON-Mod3 code validation (thermal-hydraulic modeling capability only) based on MCCI (molten core concrete interaction) experiments conducted under different programs in the past decade. Thermal-hydraulic calculations (i.e., concrete ablation, melt temperature, melt energy, concrete temperature, and condensible and non-condensible gas generation) were performed with the code, and compared with the data from 15 experiments, conducted at different scales using both simulant (metallic and oxidic) and prototypic melt materials, using different concrete types, and with and without an overlying water pool. Sensitivity studies were performed in a few cases involving, for example, heat transfer frommore » melt to concrete, condensed phase chemistry, etc. Further, special analysis was performed using the ACE L8 experimental data to illustrate the differences between the experimental and the reactor conditions, and to demonstrate that with proper corrections made to the code, the calculated results were in better agreement with the experimental data. Generally, in the case of dry cavity and metallic melts, CORCON-Mod3 thermal-hydraulic calculations were in good agreement with the test data. For oxidic melts in a dry cavity, uncertainties in heat transfer models played an important role for two melt configurations--a stratified geometry with segregated metal and oxide layers, and a heterogeneous mixture. Some discrepancies in the gas release data were noted in a few cases.« less

A resistant-kernel model of connectivity for amphibians that breed in vernal pools

Treesearch

Bradley W. Compton; Kevin McGarigal; Samuel A. Cushman; Lloyd R. Gamble

2007-01-01

Pool-breeding amphibian populations operate at multiple scales, from the individual pool to surrounding upland habitat to clusters of pools. When metapopulation dynamics play a role in long-term viability, conservation efforts limited to the protection of individual pools or even pools with associated upland habitat may be ineffective over the long term if connectivity...

First-principles melting of gallium clusters down to nine atoms: structural and electronic contributions to melting.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2013-10-07

First-principles Born-Oppenheimer molecular dynamics simulations of small gallium clusters, including parallel tempering, probe the distinction between cluster and molecule in the size range of 7-12 atoms. In contrast to the larger sizes, dynamic measures of structural change at finite temperature demonstrate that Ga7 and Ga8 do not melt, suggesting a size limit to melting in gallium exists at 9 atoms. Analysis of electronic structure further supports this size limit, additionally demonstrating that a covalent nature cannot be identified for clusters larger than the gallium dimer. Ga9, Ga10 and Ga11 melt at greater-than-bulk temperatures, with no evident covalent character. As Ga12 represents the first small gallium cluster to melt at a lower-than-bulk temperature, we examine the structural properties of each cluster at finite temperature in order to probe both the origins of greater-than-bulk melting, as well as the significant differences in melting temperatures induced by a single atom addition. Size-sensitive melting temperatures can be explained by both energetic and entropic differences between the solid and liquid phases for each cluster. We show that the lower-than-bulk melting temperature of the 12-atom cluster can be attributed to persistent pair bonding, reminiscent of the pairing observed in α-gallium. This result supports the attribution of greater-than-bulk melting in gallium clusters to the anomalously low melting temperature of the bulk, due to its dimeric structure.

Variations of algal communities cause darkening of a Greenland glacier.

PubMed

Lutz, Stefanie; Anesio, Alexandre M; Jorge Villar, Susana E; Benning, Liane G

2014-08-01

We have assessed the microbial ecology on the surface of Mittivakkat glacier in SE-Greenland during the exceptional high melting season in July 2012 when the so far most extreme melting rate for the Greenland Ice Sheet has been recorded. By employing a complementary and multi-disciplinary field sampling and analytical approach, we quantified the dramatic changes in the different microbial surface habitats (green snow, red snow, biofilms, grey ice, cryoconite holes). The observed clear change in dominant algal community and their rapidly changing cryo-organic adaptation inventory was linked to the high melting rate. The changes in carbon and nutrient fluxes between different microbial pools (from snow to ice, cryoconite holes and glacial forefronts) revealed that snow and ice algae dominate the net primary production at the onset of melting, and that they have the potential to support the cryoconite hole communities as carbon and nutrient sources. A large proportion of algal cells is retained on the glacial surface and temporal and spatial changes in pigmentation contribute to the darkening of the snow and ice surfaces. This implies that the fast, melt-induced algal growth has a high albedo reduction potential, and this may lead to a positive feedback speeding up melting processes. © 2014 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

Stability of the bcc phase of 4He close to the melting curve: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Belonoshko, A. B.; Koči, L.; Rosengren, A.

2012-01-01

We have investigated whether the Aziz [J. Chem. Phys.JCPSA60021-960610.1063/1.438007 70, 4330 (1979)] model for 4He renders the body-centered cubic phase more stable than the face-centered cubic phase in the proximity of the melting curve. Using molecular dynamics, we have simulated these solid phases in equilibrium with the liquid at a number of densities. In contrast to previous free energy molecular dynamics calculations, the model stabilizes the body-centered cubic phase. The stability field is just 5∘ wide below the melting curve at pressures around 140 Kbar and about 70∘ wide at pressures around 750 Kbar. Considering that the body-centered cubic phase is dynamically unstable at low temperature, this result bears striking similarities to transition metal phase diagrams.

On high-pressure melting of tantalum

NASA Astrophysics Data System (ADS)

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.

Molecular dynamics simulation of Coulomb explosion, melting and shock wave creation in silicon after an ionization pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhongyu; Shao, Lin, E-mail: lshao@tamu.edu; Chen, Di

Strong electronic stopping power of swift ions in a semiconducting or insulating substrate can lead to localized electron stripping. The subsequent repulsive interactions among charged target atoms can cause Coulomb explosion. Using molecular dynamics simulation, we simulate Coulomb explosion in silicon by introducing an ionization pulse lasting for different periods, and at different substrate temperatures. We find that the longer the pulse period, the larger the melting radius. The observation can be explained by a critical energy density model assuming that melting required thermal energy density is a constant value and the total thermal energy gained from Coulomb explosion ismore » linearly proportional to the ionization period. Our studies also show that melting radius is larger at higher substrate temperatures. The temperature effect is explained due to a longer structural relaxation above the melting temperature at original ionization boundary due to lower heat dissipation rates. Furthermore, simulations show the formation of shock waves, created due to the compression from the melting core.« less

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

NASA Astrophysics Data System (ADS)

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

2012-08-01

Melting of uranium dioxide (UO2) nanocrystals has been studied by molecular dynamics (MD) simulation. Ten recent and widely used sets of pair potentials were assessed in the rigid ion approximation. Both isolated (in vacuum) and periodic boundary conditions (PBC) were explored. Using barostat under PBC the pressure dependences of melting point were obtained. These curves intersected zero near -20 GPa, saturated near 25 GPa and increased nonlinearly in between. Using simulation of surface under isolated boundary conditions (IBC) recommended melting temperature and density jump were successfully reproduced. However, the heat of fusion is still underestimated. These melting characteristics were calculated for nanocrystals of cubic shape in the range of 768-49 152 particles (volume range of 10-1000 nm3). The obtained reciprocal size dependences decreased nonlinearly. Linear and parabolic extrapolations to macroscopic values are considered. The parabolic one is found to be better suited for analysis of the data on temperature and heat of melting.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Melting of SiC powders preplaced duplex stainless steel using TIG welding

NASA Astrophysics Data System (ADS)

Maleque, M. A.; Afiq, M.

2018-01-01

TIG torch welding technique is a conventional melting technique for the cladding of metallic materials. Duplex stainless steels (DSS) show decrease in performance under aggressive environment which may lead to unanticipated failure due to poor surface properties. In this research, surface modification is done by using TIG torch method where silicon carbide (SiC) particles are fused into DSS substrate in order to form a new intermetallic compound at the surface. The effect of particle size, feed rate of SiC preplacement, energy input and shielding gas flow rate on surface topography, microstructure, microstructure and hardness are investigated. Deepest melt pool (1.237 mm) is produced via TIG torch with highest energy input of 1080 J/mm. Observations of surface topography shows rippling marks which confirms that re-solidification process has taken place. Melt microstructure consist of dendritic and globular carbides precipitate as well as partially melted silicon carbides (SiC) particles. Micro hardness recorded at value ranging from 316 HV0.5 to 1277 HV0.5 which shows increment from base hardness of 260 HV0.5kgf. The analyzed result showed that incorporation of silicon carbide particles via TIG Torch method increase the hardness of DSS.

An Investigation of Sintering Parameters on Titanium Powder for Electron Beam Melting Processing Optimization.

PubMed

Drescher, Philipp; Sarhan, Mohamed; Seitz, Hermann

2016-12-01

Selective electron beam melting (SEBM) is a relatively new additive manufacturing technology for metallic materials. Specific to this technology is the sintering of the metal powder prior to the melting process. The sintering process has disadvantages for post-processing. The post-processing of parts produced by SEBM typically involves the removal of semi-sintered powder through the use of a powder blasting system. Furthermore, the sintering of large areas before melting decreases productivity. Current investigations are aimed at improving the sintering process in order to achieve better productivity, geometric accuracy, and resolution. In this study, the focus lies on the modification of the sintering process. In order to investigate and improve the sintering process, highly porous titanium test specimens with various scan speeds were built. The aim of this study was to decrease build time with comparable mechanical properties of the components and to remove the residual powder more easily after a build. By only sintering the area in which the melt pool for the components is created, an average productivity improvement of approx. 20% was achieved. Tensile tests were carried out, and the measured mechanical properties show comparatively or slightly improved values compared with the reference.

Soil organic carbon dynamics jointly controlled by climate, carbon inputs, soil properties and soil carbon fractions.

PubMed

Luo, Zhongkui; Feng, Wenting; Luo, Yiqi; Baldock, Jeff; Wang, Enli

2017-10-01

Soil organic carbon (SOC) dynamics are regulated by the complex interplay of climatic, edaphic and biotic conditions. However, the interrelation of SOC and these drivers and their potential connection networks are rarely assessed quantitatively. Using observations of SOC dynamics with detailed soil properties from 90 field trials at 28 sites under different agroecosystems across the Australian cropping regions, we investigated the direct and indirect effects of climate, soil properties, carbon (C) inputs and soil C pools (a total of 17 variables) on SOC change rate (r C , Mg C ha -1  yr -1 ). Among these variables, we found that the most influential variables on r C were the average C input amount and annual precipitation, and the total SOC stock at the beginning of the trials. Overall, C inputs (including C input amount and pasture frequency in the crop rotation system) accounted for 27% of the relative influence on r C , followed by climate 25% (including precipitation and temperature), soil C pools 24% (including pool size and composition) and soil properties (such as cation exchange capacity, clay content, bulk density) 24%. Path analysis identified a network of intercorrelations of climate, soil properties, C inputs and soil C pools in determining r C . The direct correlation of r C with climate was significantly weakened if removing the effects of soil properties and C pools, and vice versa. These results reveal the relative importance of climate, soil properties, C inputs and C pools and their complex interconnections in regulating SOC dynamics. Ignorance of the impact of changes in soil properties, C pool composition and C input (quantity and quality) on SOC dynamics is likely one of the main sources of uncertainty in SOC predictions from the process-based SOC models. © 2017 John Wiley & Sons Ltd.

Dynamics of the Axial Melt Lens/Dike transition at fast spreading ridges: assimilation and hydrous partial melting

NASA Astrophysics Data System (ADS)

France, L.; Ildefonse, B.; Koepke, J.

2009-04-01

Recent detailed field studies performed in the Oman ophiolite on the gabbro/sheeted dike transition, compared to corresponding rocks from the EPR drilled by IODP (Site 1256), constrain a general model for the dynamics of the axial melt lens (AML) present at fast spreading ridges (France et al., 2008). This model implies that the AML/dike transition is a dynamic interface migrating up- and downward, and that the isotropic gabbro horizon on top of the igneous section represents its fossilization. It is also proposed that upward migrations are associated to reheating of the base of the sheeted dike complex and to assimilation processes. Plagiogranitic lithologies are observed close to the truncated base of the dikes and are interpreted to represent frozen melts generated by partial melting of previously hydrothermalized sheeted dikes. Relicts of previously hydrothermalized lithologies are also observed in the fossil melt lens, and are associated to lithologies that have crystallized under high water activities, with clinopyroxene crystallizing before plagioclase, and An-rich plagioclase. To better understand our field data, we performed hydrous partial melting experiments at shallow pressures (0.1 GPa) under slightly oxidizing conditions (NNO oxygen buffer) and water saturated conditions on hydrothermalized sheeted dike sample from the Oman ophiolite. These experiments have been performed between 850°C and 1030°C; two additional experiments in the subsolidus regime were also conducted (750°C and 800°C). Clinopyroxenes formed during incongruent melting at low temperature (<910°C) have compositions that match those from the corresponding natural rocks (reheated base of the sheeted dike and relicts of assimilated lithologies). In particular, the characteristic low TiO2 and Al2O3 contents are reproduced. The experimental melts produced at low temperatures correspond to compositions of typical natural plagiogranites. In natural settings, these silicic liquids would be mixed with the basaltic melt of the AML, resulting in intermediate compositions that can be observed in the isotropic gabbro horizon. Our study suggests that assimilation of previously hydrothermalized lithologies in the melt lens is a common process at fast spreading ridges. This process should consequently be carefully considered in geochemical studies that deal with the origin of MORB. France L., Ildefonse B., Koepke J., (2008) The fossilisation of a dynamic melt lens at fast spreading centers: insights from the Oman ophiolite. Eos Trans. AGU, 89(53), Fall Meet. Suppl. Abstract V51F-2111

The effect of under-ice melt ponds on their surroundings in the Arctic

NASA Astrophysics Data System (ADS)

Feltham, D. L.; Smith, N.; Flocco, D.

2016-12-01

In the summer months, melt water from the surface of the Arctic sea ice can percolate down through the ice and flow out of its base. This water is relatively warm and fresh compared to the ocean water beneath it, and so it floats between the ice and the oceanic mixed layer, forming pools of melt water called under-ice melt ponds. Sheets of ice, known as false bottoms, can subsequently form via double diffusion processes at the under-ice melt pond interface with the ocean, trapping the pond against the ice and completely isolating it from the ocean below. This has an insulating effect on the parent sea ice above the trapped pond, altering its rate of basal ablation. A one-dimensional, thermodynamic model of Arctic sea ice has been adapted to study the evolution of under-ice melt ponds and false bottoms over time. Comparing simulations of sea ice evolution with and without an under-ice melt pond provides a measure of how an under-ice melt pond affects the mass balance of the sea ice above it. Sensitivity studies testing the response of the model to a range of uncertain parameters have been performed, revealing some interesting implications of under-ice ponds during their life cycle. By changing the rate of basal ablation of the parent sea ice, and so the flux of fresh water and salt into the ocean, under-ice melt ponds affect the properties of the mixed layer beneath the sea ice. Our model of under-ice melt pond refreezing has been coupled to a simple oceanic mixed layer model to determine the effect on mixed layer depth, salinity and temperature.

Self-diffusion and microscopic dynamics in a gold-silicon liquid investigated with quasielastic neutron scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evenson, Zach, E-mail: Zachary.Evenson@frm2.tum.de; Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt; Yang, Fan

2016-03-21

We use incoherent quasielastic neutron scattering to study the atomic dynamics of gold in a eutectic Au{sub 81}Si{sub 19} melt. Despite the glass-forming nature of this system, the gold self-diffusivity displays an Arrhenius behavior with a low activation energy characteristic of simple liquids. At high temperatures, long-range transport of gold atoms is well described by hydrodynamic theory with a simple exponential decay of the self-correlation function. On cooling towards the melting temperature, structural relaxation crosses over to a highly stretched exponential behavior. This suggests the onset of a heterogeneous dynamics, even in the equilibrium melt, and is indicative of amore » very fragile liquid.« less

Clustering effects in ionic polymers: Molecular dynamics simulations.

PubMed

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S

2015-08-01

Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. These ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing the electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Decrease in electrostatic interaction significantly enhances the mobility of the polymer.

Thermophysical properties of liquid Ni around the melting temperature from molecular dynamics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rozas, R. E.; Department of Physics, University of Bío-Bío, Av. Collao 1202, P.O. Box 5C, Concepción; Demiraǧ, A. D.

Thermophysical properties of liquid nickel (Ni) around the melting temperature are investigated by means of classical molecular dynamics (MD) simulation, using three different embedded atom method potentials to model the interactions between the Ni atoms. Melting temperature, enthalpy, static structure factor, self-diffusion coefficient, shear viscosity, and thermal diffusivity are compared to recent experimental results. Using ab initio MD simulation, we also determine the static structure factor and the mean-squared displacement at the experimental melting point. For most of the properties, excellent agreement is found between experiment and simulation, provided the comparison relative to the corresponding melting temperature. We discuss themore » validity of the Hansen-Verlet criterion for the static structure factor as well as the Stokes-Einstein relation between self-diffusion coefficient and shear viscosity. The thermal diffusivity is extracted from the autocorrelation function of a wavenumber-dependent temperature fluctuation variable.« less

An investigation into the melting of silicon nanoclusters using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Fang, Kuan-Chuan; Weng, Cheng-I.

2005-02-01

Using the Stillinger-Weber (SW) potential model, we have performed molecular dynamics (MD) simulations to investigate the melting of silicon nanoclusters comprising a maximum of 9041 atoms. This study investigates the size, surface energy and root mean square displacement (RMSD) characteristics of the silicon nanoclusters as they undergo a heating process. The numerical results reveal that an intermediate nanocrystal regime exists for clusters with more than 357 atoms. Within this regime, a linear relationship exists between the cluster size and its melting temperature. It is found that melting of the silicon nanoclusters commences at the surface and that Tm,N = Tm,Bulk-αN-1/3. Therefore, the extrapolated melting temperature of the bulk with a surface decreases from Tm,Bulk = 1821 K to a value of Tm,357 = 1380 K at the lower limit of the intermediate nanocrystal regime.

H-division quarterly report, October--December 1977. [Lawrence Livermore Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1978-02-10

The Theoretical EOS Group develops theoretical techniques for describing material properties under extreme conditions and constructs equation-of-state (EOS) tables for specific applications. Work this quarter concentrated on a Li equation of state, equation of state for equilibrium plasma, improved ion corrections to the Thomas--Fermi--Kirzhnitz theory, and theoretical estimates of high-pressure melting in metals. The Experimental Physics Group investigates properties of materials at extreme conditions of pressure and temperature, and develops new experimental techniques. Effort this quarter concerned the following: parabolic projectile distortion in the two-state light-gas gun, construction of a ballistic range for long-rod penetrators, thermodynamics and sound velocities inmore » liquid metals, isobaric expansion measurements in Pt, and calculation of the velocity--mass profile of a jet produced by a shaped charge. Code development was concentrated on the PELE code, a multimaterial, multiphase, explicit finite-difference Eulerian code for pool suppression dynamics of a hypothetical loss-of-coolant accident in a nuclear reactor. Activities of the Fluid Dynamics Group were directed toward development of a code to compute the equations of state and transport properties of liquid metals (e.g. Li) and partially ionized dense plasmas, jet stability in the Li reactor system, and the study and problem application of fluid dynamic turbulence theory. 19 figures, 5 tables. (RWR)« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abboud, Alexander; Guillen, Donna Post; Pokorny, Richard

At the Hanford site in the state of Washington, more than 56 million gallons of radioactive waste is stored in underground tanks. The cleanup plan for this waste is vitrification at the Waste Treatment Plant (WTP), currently under construction. At the WTP, the waste will be blended with glass-forming materials and heated to 1423K, then poured into stainless steel canisters to cool and solidify. A fundamental understanding of the glass batch melting process is needed to optimize the process to reduce cost and decrease the life cycle of the cleanup effort. The cold cap layer that floats on the surfacemore » of the glass melt is the primary reaction zone for the feed-to-glass conversion. The conversion reactions include water release, melting of salts, evolution of batch gases, dissolution of quartz and the formation of molten glass. Obtaining efficient heat transfer to this region is crucial to achieving high rates of glass conversion. Computational fluid dynamics (CFD) modeling is being used to understand the heat transfer dynamics of the system and provide insight to optimize the process. A CFD model was developed to simulate the DM1200, a pilot-scale melter that has been extensively tested by the Vitreous State Laboratory (VSL). Electrodes are built into the melter to provide Joule heating to the molten glass. To promote heat transfer from the molten glass into the reactive cold cap layer, bubbling of the molten glass is used to stimulate forced convection within the melt pool. A three-phase volume of fluid approach is utilized to model the system, wherein the molten glass and cold cap regions are modeled as separate liquid phases, and the bubbling gas and plenum regions are modeled as one lumped gas phase. The modeling of the entire system with a volume of fluid model allows for the prescription of physical properties on a per-phase basis. The molten glass phase and the gas phase physical properties are obtained from previous experimental work. Finding representative properties for the cold cap region is more difficult, as this region is not a true liquid, but rather a multilayer region consisting of a porous and a foamy layer. Physical properties affecting heat transfer, namely the thermal conductivity and heat capacity, have been fit to closely match data and observations from laboratory experiments. Data from xray tomography and quenching of laboratory-scale cold caps provide insight into the topology of bubble distribution within the cold cap at various temperatures. Heat transfer within the melter was validated by comparison with VSL data for the pilot-scale melter.« less

Litter and dead wood dynamics in ponderosa pine forests along a 160-year chronosequence.

PubMed

Hall, S A; Burke, I C; Hobbs, N T

2006-12-01

Disturbances such as fire play a key role in controlling ecosystem structure. In fire-prone forests, organic detritus comprises a large pool of carbon and can control the frequency and intensity of fire. The ponderosa pine forests of the Colorado Front Range, USA, where fire has been suppressed for a century, provide an ideal system for studying the long-term dynamics of detrital pools. Our objectives were (1) to quantify the long-term temporal dynamics of detrital pools; and (2) to determine to what extent present stand structure, topography, and soils constrain these dynamics. We collected data on downed dead wood, litter, duff (partially decomposed litter on the forest floor), stand structure, topographic position, and soils for 31 sites along a 160-year chronosequence. We developed a compartment model and parameterized it to describe the temporal trends in the detrital pools. We then developed four sets of statistical models, quantifying the hypothesized relationship between pool size and (1) stand structure, (2) topography, (3) soils variables, and (4) time since fire. We contrasted how much support each hypothesis had in the data using Akaike's Information Criterion (AIC). Time since fire explained 39-80% of the variability in dead wood of different size classes. Pool size increased to a peak as material killed by the fire fell, then decomposed rapidly to a minimum (61-85 years after fire for the different pools). It then increased, presumably as new detritus was produced by the regenerating stand. Litter was most strongly related to canopy cover (r2 = 77%), suggesting that litter fall, rather than decomposition, controls its dynamics. The temporal dynamics of duff were the hardest to predict. Detrital pool sizes were more strongly related to time since fire than to environmental variables. Woody debris peak-to-minimum time was 46-67 years, overlapping the range of historical fire return intervals (1 to > 100 years). Fires may therefore have burned under a wide range of fuel conditions, supporting the hypothesis that this region's fire regime was mixed severity.

Adjustable Lid Aids Silicon-Ribbon Growth

NASA Technical Reports Server (NTRS)

Mchugh, J. P.; Steidensticker, R. G.; Duncan, C. S.

1985-01-01

Closely-spaced crucible cover speeds up solidification. Growth rate of dendritic-web silicon ribbon from molten silicon increased by controlling distance between crucible susceptor lid and liquid/solid interface. Lid held in relatively high position when crucible newly filled with chunks of polycrystalline silicon. As silicon melts and forms pool of liquid at lower level, lid gradually lowered.

Acid precipitation and reproductive success of Ambystoma salamanders

Treesearch

F. Harvey Pough; Richard E. Wilson

1976-01-01

The two species of mole salamander that occur in the Ithaca, New York, region (Ambystoma maculatum and A. jeffersonianum) breed in temporary ponds that are formed by accumulation of melted snow and spring rains. Water in many of these pools during the breeding season is acid; pH values as low as 3.5 have been measured. In...

Acoustic-Emission Weld-Penetration Monitor

NASA Technical Reports Server (NTRS)

Maram, J.; Collins, J.

1986-01-01

Weld penetration monitored by detection of high-frequency acoustic emissions produced by advancing weld pool as it melts and solidifies in workpiece. Acoustic emission from TIG butt weld measured with 300-kHz resonant transducer. Rise in emission level coincides with cessation of weld penetration due to sudden reduction in welding current. Such monitoring applied to control of automated and robotic welders.

Surface hardening of titanium alloys with melting depth controlled by heat sink

DOEpatents

Oden, Laurance L.; Turner, Paul C.

1995-01-01

A process for forming a hard surface coating on titanium alloys includes providing a piece of material containing titanium having at least a portion of one surface to be hardened. The piece having a portion of a surface to be hardened is contacted on the backside by a suitable heat sink such that the melting depth of said surface to be hardened may be controlled. A hardening material is then deposited as a slurry. Alternate methods of deposition include flame, arc, or plasma spraying, electrodeposition, vapor deposition, or any other deposition method known by those skilled in the art. The surface to be hardened is then selectively melted to the desired depth, dependent on the desired coating thickness, such that a molten pool is formed of the piece surface and the deposited hardening material. Upon cooling a hardened surface is formed.

Melt layer erosion of metallic armour targets during off-normal events in tokamaks

NASA Astrophysics Data System (ADS)

Bazylev, B.; Wuerz, H.

2002-12-01

Melt layer erosion by melt motion is the dominating erosion mechanism for metallic armours under high heat loads. A 1-D fluid dynamics simulation model for calculation of melt motion was developed and validated against experimental results for tungsten from the e-beam facility JEBIS and beryllium from the e-beam facility JUDITH. The driving force in each case is the gradient of the surface tension. Due to the high velocity which develops in the Be melt considerable droplet splashing occurs.

Molecular dynamics study of congruent melting of the equimolar ionic liquid-benzene inclusion crystal [emim][NTf2]•C6H6

NASA Astrophysics Data System (ADS)

Kowsari, M. H.; Alavi, Saman; Ashrafizaadeh, Mahmud; Najafi, Bijan

2010-01-01

We use molecular dynamics simulations to study the structure, dynamics, and details of the mechanism of congruent melting of the equimolar mixture of 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl) imide with benzene, [emim][NTf2]•C6H6. Changes in the molecular arrangement, radial distribution functions, and the dynamic behavior of species are used to detect the solid to liquid transition, show an indication of the formation of polar islands by aggregating of the ions in the liquid phase, and characterize the melting process. The predicted enthalpy of melting ΔHm=38±2 kJ mol-1 for the equimolar inclusion mixture at 290 K is in good agreement with the differential scanning calorimetry experimental results of 42±2 kJ mol-1. The dynamics of the ions and benzene molecules were studied in the solid and liquid states by calculating the mean-square displacement (MSD) and the orientational autocorrelation function. The MSD plots show strong association between ion pairs of the ionic liquid in the inclusion mixture. Indeed, the presence of a stoichiometric number of benzene molecules does not affect the nearest neighbor ionic association between [emim]+ and [NTf2]-, but increases the MSDs of both cations and anions compared to pure liquid [emim][NTf2], showing that second shell ionic associations are weakened. We monitored the rotational motion of the alkyl chain sides of imidazolium cations and also calculated the activation energy for rotation of benzene molecules about their C6 symmetry axes in their lattice sites prior to melting.

Ion transport mechanisms in lamellar phases of salt-doped PS-PEO block copolymer electrolytes.

PubMed

Sethuraman, Vaidyanathan; Mogurampelly, Santosh; Ganesan, Venkat

2017-11-01

We use a multiscale simulation strategy to elucidate, at an atomistic level, the mechanisms underlying ion transport in the lamellar phase of polystyrene-polyethylene oxide (PS-PEO) block copolymer (BCP) electrolytes doped with LiPF 6 salts. Explicitly, we compare the results obtained for ion transport in the microphase separated block copolymer melts to those for salt-doped PEO homopolymer melts. In addition, we also present results for dynamics of the ions individually in the PEO and PS domains of the BCP melt, and locally as a function of the distance from the lamellar interfaces. When compared to the PEO homopolymer melt, ions were found to exhibit slower dynamics in both the block copolymer (overall) and in the PEO phase of the BCP melt. Such results are shown to arise from the effects of slower polymer segmental dynamics in the BCP melt and the coordination characteristics of the ions. Polymer backbone-ion residence times analyzed as a function of distance from the interface indicate that ions have a larger residence time near the interface compared to that near the bulk of lamella, and demonstrates the influence of the glassy PS blocks and microphase segregation on the ion transport properties. Ion transport mechanisms in BCP melts reveal that there exist five distinct mechanisms for ion transport along the backbone of the chain and exhibit qualitative differences from the behavior in homopolymer melts. We also present results as a function of salt concentration which show that the mean-squared displacements of the ions decrease with increasing salt concentration, and that the ion residence times near the polymer backbone increase with increasing salt concentration.

Structure and Dynamics of Ionic Block Copolymer Melts: Computational Study

DOE PAGES

Aryal, Dipak; Agrawal, Anupriya; Perahia, Dvora; ...

2017-09-06

Structure and dynamics of melts of copolymers with an ABCBA topology, where C is an ionizable block, have been studied by fully atomistic molecular dynamics (MD) simulations. Introducing an ionizable block for functionality adds a significant element to the coupled set of interactions that determine the structure and dynamics of the macromolecule. The polymer consists of a randomly sulfonated polystyrene C block tethered to a flexible poly(ethylene-r-propylene) bridge B and end-capped with poly(tert-butylstyrene) A. The chemical structure and topology of these polymers constitute a model for incorporation of ionic blocks within a framework that provides tactility and mechanical stability. Heremore » in this paper we resolve the structure and dynamics of a structured polymer on the nanoscale constrained by ionic clusters. We find that the melts form intertwined networks of the A and C blocks independent of the degree of sulfonation of the C block with no long-range order. The cluster cohesiveness and morphology affect both macroscopic translational motion and segmental dynamics of all the blocks.« less

Structure and Dynamics of Ionic Block Copolymer Melts: Computational Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aryal, Dipak; Agrawal, Anupriya; Perahia, Dvora

Structure and dynamics of melts of copolymers with an ABCBA topology, where C is an ionizable block, have been studied by fully atomistic molecular dynamics (MD) simulations. Introducing an ionizable block for functionality adds a significant element to the coupled set of interactions that determine the structure and dynamics of the macromolecule. The polymer consists of a randomly sulfonated polystyrene C block tethered to a flexible poly(ethylene-r-propylene) bridge B and end-capped with poly(tert-butylstyrene) A. The chemical structure and topology of these polymers constitute a model for incorporation of ionic blocks within a framework that provides tactility and mechanical stability. Heremore » in this paper we resolve the structure and dynamics of a structured polymer on the nanoscale constrained by ionic clusters. We find that the melts form intertwined networks of the A and C blocks independent of the degree of sulfonation of the C block with no long-range order. The cluster cohesiveness and morphology affect both macroscopic translational motion and segmental dynamics of all the blocks.« less

From elemental tellurium to Ge2Sb2Te5 melts: High temperature dynamic and relaxation properties in relationship with the possible fragile to strong transition

NASA Astrophysics Data System (ADS)

Flores-Ruiz, H.; Micoulaut, M.

2018-01-01

We investigate the dynamic properties of Ge-Sb-Te phase change melts using first principles molecular dynamics with a special emphasis on the effect of tellurium composition on melt dynamics. From structural models and trajectories established previously [H. Flores-Ruiz et al., Phys. Rev. B 92, 134205 (2015)], we calculate the diffusion coefficients for the different species, the activation energies for diffusion, the Van Hove correlation, and the intermediate scattering functions able to substantiate the dynamics and relaxation behavior of the liquids as a function of temperature and composition that is also compared to experiment whenever possible. We find that the diffusion is mostly Arrhenius-like and that the addition of Ge/Sb atoms leads to a global decrease of the jump probability and to an increase in activated dynamics for diffusion. Relaxation behavior is analyzed and used in order to evaluate the possibility of a fragile to strong transition that is evidenced from the calculated high fragility (M = 129) of Ge2Sb2Te5 at high temperatures.

Molecular dynamics study of melting and fcc-bcc transitions in Xe.

PubMed

Belonoshko, A B; Ahuja, R; Johansson, B

2001-10-15

We have investigated the phase diagram of Xe over a wide pressure-temperature range by molecular dynamics. The calculated melting curve is in good agreement with earlier experimental data. At a pressure of around 25 GPa and a temperature of about 2700 K we find a triple fcc-bcc liquid point. The calculated fcc-bcc boundary is in nice agreement with the experimental points, which, however, were interpreted as melting. This finding suggests that the transition from close-packed to bcc structure might be more common at high pressure and high temperature than was previously anticipated.

Melting of genomic DNA: Predictive modeling by nonlinear lattice dynamics

NASA Astrophysics Data System (ADS)

Theodorakopoulos, Nikos

2010-08-01

The melting behavior of long, heterogeneous DNA chains is examined within the framework of the nonlinear lattice dynamics based Peyrard-Bishop-Dauxois (PBD) model. Data for the pBR322 plasmid and the complete T7 phage have been used to obtain model fits and determine parameter dependence on salt content. Melting curves predicted for the complete fd phage and the Y1 and Y2 fragments of the ϕX174 phage without any adjustable parameters are in good agreement with experiment. The calculated probabilities for single base-pair opening are consistent with values obtained from imino proton exchange experiments.

Transport properties of CO2-bearing MgSiO3 melt at mantle conditions

NASA Astrophysics Data System (ADS)

Ghosh, D. B.; Karki, B. B.

2017-12-01

Carbon dioxide, generally considered as the second most abundant volatile component in silicate magmas, is expected to significantly influence various melt properties. In particular, our knowledge about its dynamical effects is lacking over most of the Earth's mantle pressure regime. Here we report the first-principles molecular dynamics results on the transport properties of carbonated MgSiO3 liquid under the conditions of mantle relevance. They show that dissolved CO2 systematically enhances the diffusion rates of all elements and the associated electrical conductivity and lowers the melt viscosity on average by factors of 1.5 to 3 over the pressure range considered. They also predict anomalous dynamical behavior - increasing diffusivity and conductivity, and decreasing viscosity with compression in the low pressure regime. We attempt to link the predicted transport coefficients to the microsocopic structural changes that occur in response to pressure and temperature. This anomaly and the concomitant increase of pressure and temperature with depth together make these transport coefficients vary modestly over extended portions of the mantle regime. It is possible that the melt electrical conductivity at conditions corresponding to the 410 and 660 km seismic discontinuities is at a detectable level by electromagnetic sounding observation. Also, the low melt viscosity values 0.2-0.5 Pa s at these depths and near the core-mantle boundary may imply high mobility of possible melts in these regions.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Dynamics of splashing of molten metals during irradiation with single CO2 laser pulses

NASA Astrophysics Data System (ADS)

Arutyunyan, R. V.; Baranov, V. Yu; Bol'shov, Leonid A.; Dolgov, V. A.; Malyuta, D. D.; Mezhevov, V. S.; Semak, V. V.

1988-03-01

An experimental investigation was made of the dynamics of the loss of the melt as a result of interaction with single-mode CO2 laser radiation pulses of 5-35 μs duration. The dynamics of splashing of the melt during irradiation with short pulses characterized by a Gaussian intensity distribution differed from that predicted by models in which the distribution of the vapor pressure was assumed to be radially homogeneous.

Picosecond dynamics from lanthanide chloride melts

NASA Astrophysics Data System (ADS)

Kalampounias, Angelos G.

2012-12-01

The picosecond dynamics of molten lanthanide chlorides is studied by means of vibrational spectroscopy. Polarized Raman spectra of molten LaCl3, NdCl3, GdCl3, DyCl3, HoCl3 and YCl3 are fitted to a model enabling to obtain the times of vibrational dephasing, tν and vibrational frequency modulation tω. Our aim is to find possible sensitive indicators of short-time dynamics. It has been found that all lanthanide chlorides exhibit qualitative similarities in the vibrational relaxation and frequency modulation times in the molten state. It appears that the vibrational correlation functions of all melts comply with the Rothschild approach assuming that the environmental modulation is described by a stretched exponential decay. The evolution of the dispersion parameter α indicates the deviation of the melts from the model simple liquid and the similar local environment in which the oscillator is placed and with which it is coupled. The "packing" of the anions around central La3+ cation seems to be the key factor for the structure and the dynamics of the melts. The results are discussed in the framework of the current phenomenological status of the field.

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

PubMed

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.

Mixing effects in a ternary Hf-Zr-Ni metallic melt

NASA Astrophysics Data System (ADS)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Evenson, Z.; Meyer, A.

2018-03-01

We study the effect of the substitution of Zr by Hf on the dynamical behavior in the Zr36Ni64 melt. A reduced measured self-diffusion coefficient and a higher measured melt viscosity for an increased amount of Hf were observed. The ternary Hf10Zr25Ni65 melt, which exhibits a pronounced deviation from Arrhenius behavior over a studied temperature range of 550 K, can be accurately described by the scaling law of mode-coupling theory (MCT) with almost equal parameters for the self-diffusion and the viscosity. Although we only substitute alloy components with a nearly equal atomic size and the measured overall packing fraction remains almost unchanged, the dynamics in Hf10Zr25Ni65 are slower compared to Zr36Ni64 . This corresponds also to a higher critical temperature Tc and might be induced by different chemical interactions in the melts. The increased Tc results in a significantly smaller difference between liquidus and critical temperature Δ TLC=TL-Tc for the ternary melt in comparison with Zr36Ni64 , which may favor the glass formation in the Hf10Zr25Ni65 melt.

Femtosecond laser melting of silver nanoparticles: comparison of model simulations and experimental results

NASA Astrophysics Data System (ADS)

Cheng, Chung-Wei; Chang, Chin-Lun; Chen, Jinn-Kuen; Wang, Ben

2018-05-01

Ultrafast laser-induced melting of silver nanoparticles (NPs) using a femtosecond laser pulse is investigated both theoretically and experimentally. The sintered Ag structure fabricated from printed Ag NP ink using femtosecond laser (1064 nm, 300 fs) irradiation is experimentally studied. A two-temperature model with dynamic optical properties and particle size effects on the melting temperature of Ag NPs is considered. The rapid phase change model is incorporated to simulate the Ag NPs' ultrafast laser-induced melting process, and a multi-shot melting threshold fluence predicted from the simulated single-shot melting threshold is developed.

Silicate melts density, buoyancy relations and the dynamics of magmatic processes in the upper mantle

NASA Astrophysics Data System (ADS)

Sanchez-Valle, Carmen; Malfait, Wim J.

2016-04-01

Although silicate melts comprise only a minor volume fraction of the present day Earth, they play a critical role on the Earth's geochemical and geodynamical evolution. Their physical properties, namely the density, are a key control on many magmatic processes, including magma chamber dynamics and volcanic eruptions, melt extraction from residual rocks during partial melting, as well as crystal settling and melt migration. However, the quantitative modeling of these processes has been long limited by the scarcity of data on the density and compressibility of volatile-bearing silicate melts at relevant pressure and temperature conditions. In the last decade, new experimental designs namely combining large volume presses and synchrotron-based techniques have opened the possibility for determining in situ the density of a wide range of dry and volatile-bearing (H2O and CO2) silicate melt compositions at high pressure-high temperature conditions. In this contribution we will illustrate some of these progresses with focus on recent results on the density of dry and hydrous felsic and intermediate melt compositions (rhyolite, phonolite and andesite melts) at crustal and upper mantle conditions (up to 4 GPa and 2000 K). The new data on felsic-intermediate melts has been combined with in situ data on (ultra)mafic systems and ambient pressure dilatometry and sound velocity data to calibrate a continuous, predictive density model for hydrous and CO2-bearing silicate melts with applications to magmatic processes down to the conditions of the mantle transition zone (up to 2773 K and 22 GPa). The calibration dataset consist of more than 370 density measurements on high-pressure and/or water-and CO2-bearing melts and it is formulated in terms of the partial molar properties of the oxide components. The model predicts the density of volatile-bearing liquids to within 42 kg/m3 in the calibration interval and the model extrapolations up to 3000 K and 100 GPa are in good agreement with results from ab initio calculations. The density model has been applied to examine the mineral-melt buoyancy relations at depth and the implications of these results for the dynamics of magma chambers, crystal settling and the stability and mobility of magmas in the upper mantle will be discussed.

Clustering effects in ionic polymers: Molecular dynamics simulations

DOE PAGES

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

2015-08-18

Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. Furthermore, these ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing themore » electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Finally, decrease in electrostatic interaction significantly enhances the mobility of the polymer.« less

Erosion of tungsten armor after multiple intense transient events in ITER

NASA Astrophysics Data System (ADS)

Bazylev, B. N.; Janeschitz, G.; Landman, I. S.; Pestchanyi, S. E.

2005-03-01

Macroscopic erosion by melt motion is the dominating damage mechanism for tungsten armour under high-heat loads with energy deposition W > 1 MJ/m 2 and τ > 0.1 ms. For ITER divertor armour the results of a fluid dynamics simulation of the melt motion erosion after repetitive stochastically varying plasma heat loads of consecutive disruptions interspaced by ELMs are presented. The heat loads for particular single transient events are numerically simulated using the two-dimensional MHD code FOREV-2D. The whole melt motion is calculated by the fluid dynamics code MEMOS-1.5D. In addition for the ITER dome melt motion erosion of tungsten armour caused by the lateral radiation impact from the plasma shield at the disruption and ELM heat loads is estimated.

Predictive modeling, simulation, and optimization of laser processing techniques: UV nanosecond-pulsed laser micromachining of polymers and selective laser melting of powder metals

NASA Astrophysics Data System (ADS)

Criales Escobar, Luis Ernesto

One of the most frequently evolving areas of research is the utilization of lasers for micro-manufacturing and additive manufacturing purposes. The use of laser beam as a tool for manufacturing arises from the need for flexible and rapid manufacturing at a low-to-mid cost. Laser micro-machining provides an advantage over mechanical micro-machining due to the faster production times of large batch sizes and the high costs associated with specific tools. Laser based additive manufacturing enables processing of powder metals for direct and rapid fabrication of products. Therefore, laser processing can be viewed as a fast, flexible, and cost-effective approach compared to traditional manufacturing processes. Two types of laser processing techniques are studied: laser ablation of polymers for micro-channel fabrication and selective laser melting of metal powders. Initially, a feasibility study for laser-based micro-channel fabrication of poly(dimethylsiloxane) (PDMS) via experimentation is presented. In particular, the effectiveness of utilizing a nanosecond-pulsed laser as the energy source for laser ablation is studied. The results are analyzed statistically and a relationship between process parameters and micro-channel dimensions is established. Additionally, a process model is introduced for predicting channel depth. Model outputs are compared and analyzed to experimental results. The second part of this research focuses on a physics-based FEM approach for predicting the temperature profile and melt pool geometry in selective laser melting (SLM) of metal powders. Temperature profiles are calculated for a moving laser heat source to understand the temperature rise due to heating during SLM. Based on the predicted temperature distributions, melt pool geometry, i.e. the locations at which melting of the powder material occurs, is determined. Simulation results are compared against data obtained from experimental Inconel 625 test coupons fabricated at the National Institute for Standards & Technology via response surface methodology techniques. The main goal of this research is to develop a comprehensive predictive model with which the effect of powder material properties and laser process parameters on the built quality and integrity of SLM-produced parts can be better understood. By optimizing process parameters, SLM as an additive manufacturing technique is not only possible, but also practical and reproducible.

ROLE OF MANGANESE REDUCTION/OXIDATION (REDOX) ON FOAMING AND MELT RATE IN HIGH LEVEL WASTE (HLW) MELTERS (U)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jantzen, C; Michael Stone, M

2007-03-30

High-level nuclear waste is being immobilized at the Savannah River Site (SRS) by vitrification into borosilicate glass at the Defense Waste Processing Facility (DWPF). Control of the Reduction/Oxidation (REDOX) equilibrium in the DWPF melter is critical for processing high level liquid wastes. Foaming, cold cap roll-overs, and off-gas surges all have an impact on pouring and melt rate during processing of high-level waste (HLW) glass. All of these phenomena can impact waste throughput and attainment in Joule heated melters such as the DWPF. These phenomena are caused by gas-glass disequilibrium when components in the melter feeds convert to glass andmore » liberate gases such as H{sub 2}O vapor (steam), CO{sub 2}, O{sub 2}, H{sub 2}, NO{sub x}, and/or N{sub 2}. During the feed-to-glass conversion in the DWPF melter, multiple types of reactions occur in the cold cap and in the melt pool that release gaseous products. The various gaseous products can cause foaming at the melt pool surface. Foaming should be avoided as much as possible because an insulative layer of foam on the melt surface retards heat transfer to the cold cap and results in low melt rates. Uncontrolled foaming can also result in a blockage of critical melter or melter off-gas components. Foaming can also increase the potential for melter pressure surges, which would then make it difficult to maintain a constant pressure differential between the DWPF melter and the pour spout. Pressure surges can cause erratic pour streams and possible pluggage of the bellows as well. For these reasons, the DWPF uses a REDOX strategy and controls the melt REDOX between 0.09 {le} Fe{sup 2+}/{summation}Fe {le} 0.33. Controlling the DWPF melter at an equilibrium of Fe{sup +2}/{summation}Fe {le} 0.33 prevents metallic and sulfide rich species from forming nodules that can accumulate on the floor of the melter. Control of foaming, due to deoxygenation of manganic species, is achieved by converting oxidized MnO{sub 2} or Mn{sub 2}O{sub 3} species to MnO during melter preprocessing. At the lower redox limit of Fe{sup +2}/{summation}Fe {approx} 0.09 about 99% of the Mn{sup +4}/Mn{sup +3} is converted to Mn{sup +2}. Therefore, the lower REDOX limits eliminates melter foaming from deoxygenation.« less

Polymer dynamics under cylindrical confinement featuring a locally repulsive surface: A quasielastic neutron scattering study.

PubMed

Krutyeva, M; Pasini, S; Monkenbusch, M; Allgaier, J; Maiz, J; Mijangos, C; Hartmann-Azanza, B; Steinhart, M; Jalarvo, N; Richter, D

2017-05-28

We investigated the effect of intermediate cylindrical confinement with locally repulsive walls on the segmental and entanglement dynamics of a polymer melt by quasielastic neutron scattering. As a reference, the corresponding polymer melt was measured under identical conditions. The locally repulsive confinement was realized by hydrophilic anodic alumina nanopores with a diameter of 20 nm. The end-to-end distance of the hydrophobic infiltrated polyethylene-alt-propylene was close to this diameter. In the case of hard wall repulsion with negligible local attraction, several simulations predicted an acceleration of segmental dynamics close to the wall. Other than in attractive or neutral systems, where the segmental dynamics is slowed down, we found that the segmental dynamics in the nanopores is identical to the local mobility in the bulk. Even under very careful scrutiny, we could not find any acceleration of the surface-near segmental motion. On the larger time scale, the neutron spin-echo experiment showed that the Rouse relaxation was not altered by confinement effects. Also the entanglement dynamics was not affected. Thus at moderate confinement conditions, facilitated by locally repulsive walls, the dynamics remains as in the bulk melt, a result that is not so clear from simulations.

Polymer dynamics under cylindrical confinement featuring a locally repulsive surface: A quasielastic neutron scattering study

NASA Astrophysics Data System (ADS)

Krutyeva, M.; Pasini, S.; Monkenbusch, M.; Allgaier, J.; Maiz, J.; Mijangos, C.; Hartmann-Azanza, B.; Steinhart, M.; Jalarvo, N.; Richter, D.

2017-05-01

We investigated the effect of intermediate cylindrical confinement with locally repulsive walls on the segmental and entanglement dynamics of a polymer melt by quasielastic neutron scattering. As a reference, the corresponding polymer melt was measured under identical conditions. The locally repulsive confinement was realized by hydrophilic anodic alumina nanopores with a diameter of 20 nm. The end-to-end distance of the hydrophobic infiltrated polyethylene-alt-propylene was close to this diameter. In the case of hard wall repulsion with negligible local attraction, several simulations predicted an acceleration of segmental dynamics close to the wall. Other than in attractive or neutral systems, where the segmental dynamics is slowed down, we found that the segmental dynamics in the nanopores is identical to the local mobility in the bulk. Even under very careful scrutiny, we could not find any acceleration of the surface-near segmental motion. On the larger time scale, the neutron spin-echo experiment showed that the Rouse relaxation was not altered by confinement effects. Also the entanglement dynamics was not affected. Thus at moderate confinement conditions, facilitated by locally repulsive walls, the dynamics remains as in the bulk melt, a result that is not so clear from simulations.

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

NASA Astrophysics Data System (ADS)

Cooper, R. F.

2010-12-01

Measurements of redox dynamics in silicate melts and glasses suggest that, for many compositions and for many external environments, the reaction proceeds and is rate-limited by the diffusive flux of divalent-cation network modifiers. Application of ion-backscattering spectrometry either (i) on oxidized or reduced melts (subsequently quenched before analysis) or (ii) on similarly reacted glasses, both of basalt-composition polymerization, demonstrates that the network modifiers move relative to the (first-order-rigid) aluminosilicate network. Thus, the textures associated with such reactions are often surprising, and frequently include metastable or unstable phases and/or spatial compositional differences. This response is only possible if the motion of cations can be decoupled from that of anions. In many cases, decoupling is accomplished by the presence in the melt/glass of transition-metal cations, whose heterovalency creates distortions in the electronic band structure resulting in electronic defects: electron “holes” in the valence band or electrons in the conduction band. (The prevalence of holes or electrons being a function of bulk chemistry and oxygen activity.) These electronic species make the melt/glass a “defect semiconductor.” Because (a) the critical issue in reaction dynamics is the transport coefficient (the product of species mobility and species concentration) and (b) the electronic species are many orders of magnitude more mobile than are the ions, very low concentrations of transition-metal ions are required for flux decoupling. For example, 0.04 at% Fe keeps a magnesium aluminosilicate melt/glass a defect semiconductor down to 800°C [Cook & Cooper, 2000]. Depending on composition, high-temperature melts can see ion species having a high-enough transport coefficient to allow decoupling, e.g., alkali cations in a basaltic melt [e.g., Pommier et al., 2010]. In this presentation, these ideas will be illustrated by examining redox dynamics in basaltic melts [e.g., Burgess et al., 2010; Cooper et al., 2010] and the reaction of magnesium aluminosilicate melts (transition-metal-ion-free and -doped) with liquid bronze (Cu-Sn alloy) [Pettersen et al., 2008], the latter demonstrating the importance of heterovalency in silicon [e.g., Borman et al., 1991] in effecting the reaction dynamics and resultant texture. Borman, V.D. et al. (1991) Phys. Rev. Lett. 67:2387-2390. Burgess, K. et al. (2010) Geochem. Geophys. Geosyst. 11:in press. Cook, G.B., and R.F. Cooper (2000) Am. Mineral. 85:397-406. Cooper, R.F. et al. (2010) Am. Mineral. 95:810-824. Pettersen, C., and R.F. Cooper (2008) J. Non-Crys. Solids 354:3194-3206. Pommier, A. et al. (2010) Geochim. Cosmochim. Acta 74:1653-1671.

Percolation blockage: A process that enables melt pond formation on first year Arctic sea ice

NASA Astrophysics Data System (ADS)

Polashenski, Chris; Golden, Kenneth M.; Perovich, Donald K.; Skyllingstad, Eric; Arnsten, Alexandra; Stwertka, Carolyn; Wright, Nicholas

2017-01-01

Melt pond formation atop Arctic sea ice is a primary control of shortwave energy balance in the Arctic Ocean. During late spring and summer, the ponds determine sea ice albedo and how much solar radiation is transmitted into the upper ocean through the sea ice. The initial formation of ponds requires that melt water be retained above sea level on the ice surface. Both theory and observations, however, show that first year sea ice is so highly porous prior to the formation of melt ponds that multiday retention of water above hydraulic equilibrium should not be possible. Here we present results of percolation experiments that identify and directly demonstrate a mechanism allowing melt pond formation. The infiltration of fresh water into the pore structure of sea ice is responsible for blocking percolation pathways with ice, sealing the ice against water percolation, and allowing water to pool above sea level. We demonstrate that this mechanism is dependent on fresh water availability, known to be predominantly from snowmelt, and ice temperature at melt onset. We argue that the blockage process has the potential to exert significant control over interannual variability in ice albedo. Finally, we suggest that incorporating the mechanism into models would enhance their physical realism. Full treatment would be complex. We provide a simple temperature threshold-based scheme that may be used to incorporate percolation blockage behavior into existing model frameworks.

Pulsed laser generation of ultrasound in a metal plate between the melting and ablation thresholds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Every, A. G., E-mail: arthur.every@wits.ac.za; Utegulov, Z. N., E-mail: zhutegulov@nu.edu.kz; Veres, I. A., E-mail: istvan.veres@recendt.at

2015-03-31

The generation of ultrasound in a metal plate exposed to nanosecond pulsed laser heating, sufficient to cause melting but not ablation, is treated. Consideration is given to the spatial and temporal profiles of the laser pulse, penetration of the laser beam into the sample, the evolution of the melt pool, and thermal conduction in the melt and surrounding solid. The excitation of the ultrasound takes place over a few nanoseconds, and occurs predominantly within the thermal diffusion length of a micron or so beneath the surface. Because of this, the output of the thermal simulations can be represented as axiallymore » symmetric transient radial and normal surface force distributions. The epicentral displacement response at the opposite surface to these forces is obtained by two methods, the one based on the elastodynamic Green’s functions for plate geometry determined by the Cagniard generalized ray method, and the other using a finite element numerical method. The two approaches are in very close agreement. Numerical simulations are reported of the epicentral displacement response of a 3.12mm thick tungsten plate irradiated with a 4 ns pulsed laser beam with Gaussian spatial profile, at intensities below and above the melt threshold. Comparison is made between results obtained using available temperature dependent thermophysical data, and room temperature materials constants except near the melting point.« less

Heat transfer of molten metal layers in severe accidents

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, Seung Kai; Walton, A.; Yang, Zhilin

1997-12-01

In some scenarios of severe accidents of light water reactors, a layer of molten metal from internal structural components of the pressure vessel is predicted to occur on top of a ceramic core debris in the lower head. The layer transfers the heat generated in the ceramic pool to the side wall of the vessel, causing the latter to melt. This problem has been investigated by Theofanous et al. for the advanced light water reactor AP600 in the context of the accident management strategy of ex-vessel cooling, and the conclusion was drawn that the melting does not seriously compromise themore » integrity of the pressure vessel.« less

Experimental research of phase transitions in a melt of high-purity aluminum

NASA Astrophysics Data System (ADS)

Vorontsov, V. B.; Pershin, V. K.

2017-12-01

This scientific work is devoted to the studying of the genetic connection structures of solid and liquid phases. In this paper Fourier analysis of acoustic emission (AE) signals accompanying heating of high purity aluminum from the melting point up to 860 °C was performed. The experimental data allowed to follow the dynamics of disorder zones in the melt with increasing melt temperature up to their complete destruction. The presented results of spectral analysis of the signals were analyzed from the standpoint of the theory of cluster melting metals.

Synchrotron-Based X-ray Microtomography Characterization of the Effect of Processing Variables on Porosity Formation in Laser Power-Bed Additive Manufacturing of Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Cunningham, Ross; Narra, Sneha P.; Montgomery, Colt; Beuth, Jack; Rollett, A. D.

2017-03-01

The porosity observed in additively manufactured (AM) parts is a potential concern for components intended to undergo high-cycle fatigue without post-processing to remove such defects. The morphology of pores can help identify their cause: irregularly shaped lack of fusion or key-holing pores can usually be linked to incorrect processing parameters, while spherical pores suggest trapped gas. Synchrotron-based x-ray microtomography was performed on laser powder-bed AM Ti-6Al-4V samples over a range of processing conditions to investigate the effects of processing parameters on porosity. The process mapping technique was used to control melt pool size. Tomography was also performed on the powder to measure porosity within the powder that may transfer to the parts. As observed previously in experiments with electron beam powder-bed fabrication, significant variations in porosity were found as a function of the processing parameters. A clear connection between processing parameters and resulting porosity formation mechanism was observed in that inadequate melt pool overlap resulted in lack-of-fusion pores whereas excess power density produced keyhole pores.

Effects of momentum transfer on sizing of current collectors for lithium-ion batteries during laser cutting

NASA Astrophysics Data System (ADS)

Lee, Dongkyoung; Mazumder, Jyotirmoy

2018-02-01

One of the challenges of the lithium-ion battery manufacturing process is the sizing of electrodes with good cut surface quality. Poor cut surface quality results in internal short circuits in the cells and significant heat generation. One of the solutions that may improve the cut quality with a high cutting speed is laser cutting due to its high energy concentration, fast processing time, high precision, small heat affected zone, flexible range of laser power and contact free process. In order to utilize the advantages of laser electrode cutting, understanding the physical phenomena for each material is crucial. Thus, this study focuses on the laser cutting of current collectors, such as pure copper and aluminum. A 3D self-consistent mathematical model for the laser cutting, including fluid flow, heat transfer, recoil pressure, multiple reflections, capillary and thermo-capillary forces, and phase changes, is presented and solved numerically. Simulation results for the laser cutting are analyzed in terms of penetration time, depth, width, and absorptivity, based on these selected laser parameters. In addition, melt pool flow, melt pool geometry and temperature distribution are investigated.

Effects of beam configurations on wire melting and transfer behaviors in dual beam laser welding with filler wire

NASA Astrophysics Data System (ADS)

Ma, Guolong; Li, Liqun; Chen, Yanbin

2017-06-01

Butt joints of 2 mm thick stainless steel with 0.5 mm gap were fabricated by dual beam laser welding with filler wire technique. The wire melting and transfer behaviors with different beam configurations were investigated detailedly in a stable liquid bridge mode and an unstable droplet mode. A high speed video system assisted by a high pulse diode laser as an illumination source was utilized to record the process in real time. The difference of welding stability between single and dual beam laser welding with filler wire was also compartively studied. In liquid bridge transfer mode, the results indicated that the transfer process and welding stability were disturbed in the form of "broken-reformed" liquid bridge in tandem configuration, while improved by stabilizing the molten pool dynamics with a proper fluid pattern in side-by-side configuration, compared to sigle beam laser welding with filler wire. The droplet transfer period and critical radius were studied in droplet transfer mode. The transfer stability of side-by-side configuration with the minium transfer period and critical droplet size was better than the other two configurations. This was attributed to that the action direction and good stability of the resultant force which were beneficial to transfer process in this case. The side-by-side configuration showed obvious superiority on improving welding stability in both transfer modes. An acceptable weld bead was successfully generated even in undesirable droplet transfer mode under the present conditions.

Disorder-induced amorphization

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

1997-03-01

Many crystalline materials undergo a crystalline-to-amorphous (c-a) phase transition when subjected to energetic particle irradiation at low temperatures. By focusing on the mean-square static atomic displacement as a generic measure of chemical and topological disorder, we are led quite naturally to a generalized version of the Lindemann melting criterion as a conceptual framework for a unified thermodynamic approach to solid-state amorphizing transformations. In its simplest form, the generalized Lindemann criterion assumes that the sum of the static and dynamic mean-square atomic displacements is constant along the polymorphous melting curve so that c-a transformations can be understood simply as melting ofmore » a critically-disordered crystal at temperatures below the glass transition temperature where the supercooled liquid can persist indefinitely in a configurationally-frozen state. Evidence in support of the generalized Lindemann melting criterion for amorphization is provided by a large variety of experimental observations and by molecular dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds.« less

Melt focusing and CO2 extraction at mid-ocean ridges: simulations of reactive two-phase flow

NASA Astrophysics Data System (ADS)

Keller, T.; Katz, R. F.; Hirschmann, M. M.

2016-12-01

The deep CO2 cycle is the result of fluxes between near-surface and mantle reservoirs. Outgassing from mid-ocean ridges is one of the primary fluxes of CO2 from the asthenosphere into the ocean-atmosphere reservoir. Focusing of partial melt to the ridge axis crucially controls this flux. However, the role of volatiles, in particular CO2 and H2O, on melt transport processes beneath ridges remains poorly understood. We investigate this transport using numerical simulations of two-phase, multi-component magma/mantle dynamics. The phases are solid mantle and liquid magma; the components are dunite, MORB, hydrated basalt, and carbonated basalt. These effective components capture accepted features of mantle melting with volatiles. The fluid-dynamical model is McKenzie's formulation [1], while melting and reactive transport use the R_DMC method [2,3]. Our results indicate that volatiles cause channelized melt transport, which leads to significant variability in volume and composition of focused melt. The volatile-induced expansion of the melting regime at depth, however, has no influence on melt focusing; distal volatile-rich melts are not focused to the axis. Up to 50% of these melts are instead emplaced along the oceanic LAB. There, crystallization of accumulated melt leads to enrichment of CO2 and H2O in the deep lithosphere, which has implications for LAB rheology and volatile recycling by subduction. Results from a suite of simulations, constrained by catalogued observational data [4,5,6] enable predictions of global MOR CO2 output. By combining observational constraints with self-consistent numerical simulations we obtain a range of CO2 output from the global ridge system of 28-110 Mt CO2/yr, corresponding to mean CO2 contents of 50-200 ppm in the mantle. REFERENCES[1] McKenzie (1984), doi:10.1093/petrology/25.3.713.[2] Rudge, Bercovici & Spiegelman (2011), doi:10.1111/j.1365-246X.2010.04870.x.[3] Keller & Katz (2016), doi:10.1093/petrology/egw030.[4] Dalton, Langmuir & Gale (2014), doi:10.1126/science.1249466.[5] Gale, Langmuir & Dalton (2014), doi:10.1093/petrology/egu017.[6] White et al. (2001), doi:10.1093/petrology/42.6.1171. Fig: Simulation results of MOR magma/mantle dynamics with H2O and CO2, showing Darcy flux magnitude for half-spreading rates of 1 and 5 cm/yr.

Nitric-glycolic flowsheet reduction/oxidation (redox) model for the defense waste processing facility (DWPF)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jantzen, C. M.; Williams, M. S.; Edwards, T. B.

Control of the REDuction/OXidation (REDOX) state of glasses containing high concentrations of transition metals, such as High Level Waste (HLW) glasses, is critical in order to eliminate processing difficulties caused by overly reduced or overly oxidized melts. Operation of a HLW melter at Fe +2/ΣFe ratios of between 0.09 and 0.33, retains radionuclides in the melt and thus the final glass. Specifically, long-lived radioactive 99Tc species are less volatile in the reduced Tc 4+ state as TcO 2 than as NaTcO 4 or Tc 2O 7, and ruthenium radionuclides in the reduced Ru 4+ state are insoluble RuO 2 inmore » the melt which are not as volatile as NaRuO 4 where the Ru is in the +7 oxidation state. Similarly, hazardous volatile Cr 6+ occurs in oxidized melt pools as Na 2CrO 4 or Na 2Cr 2O 7, while the Cr +3 state is less volatile and remains in the melt as NaCrO 2 or precipitates as chrome rich spinels. The melter REDOX control balances the oxidants and reductants from the feed and from processing additives such as antifoam.« less

Melting of Cu nanoclusters by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Wang, Li; Zhang, Yanning; Bian, Xiufang; Chen, Ying

2003-04-01

We present a detailed molecular dynamics study of the melting of copper nanoclusters with up to 8628 atoms within the framework of the embedded-atom method. The finding indicates that there exists an intermediate nanocrystal regime above 456 atoms. The linear relation between the cluster size and its thermodynamics properties is obeyed in this regime. Melting first occurs at the surface of the clusters, leading to Tm, N= Tm,Bulk- αN-1/3, dropping from Tm,Bulk=1360 K to Tm,456=990 K. In addition, the size, surface energy as well as the root mean square displacement (RMSD) of the clusters in the intermediate regime have been investigated.

Novel polypropylene/inorganic fullerene-like WS2 nanocomposites containing a β-nucleating agent: dynamic crystallization and melting behavior.

PubMed

Naffakh, Mohammed; Marco, Carlos; Ellis, Gary

2011-09-22

The dynamic crystallization and melting behavior of isotactic polypropylene-tungsten disulfide (iPP/IF-WS(2)) nanocomposites incorporating a β-nucleating agent is investigated by X-ray diffraction and differential scanning calorimetry. A conventional melt-processing strategy is employed to generate new materials that exhibit variable α and β polymorphism under the appropriate kinetic conditions. The results show that when the dual additive system is employed the nucleation ability on isotactic polypropylene not only depends on the nucleation efficiency (NE) and relative content of the individual α and β-nucleating agents, but also on the cooling rates employed. The nucleating behavior of the additives is explained by competitive nucleation, and the correlation between crystallization and melting temperatures and relative content of α and β-crystals of iPP in the nanocomposites is discussed.

Significance of DNA bond strength in programmable nanoparticle thermodynamics and dynamics.

PubMed

Yu, Qiuyan; Hu, Jinglei; Hu, Yi; Wang, Rong

2018-04-04

Assembly of nanoparticles (NPs) coated with complementary DNA strands leads to novel crystals with nanosized basic units rather than classic atoms, ions or molecules. The assembly process is mediated by hybridization of DNA via specific base pairing interaction, and is kinetically linked to the disassociation of DNA duplexes. DNA-level physiochemical quantities, both thermodynamic and kinetic, are key to understanding this process and essential for the design of DNA-NP crystals. The melting transition properties are helpful to judge the thermostability and sensitivity of relative DNA probes or other applications. Three different cases are investigated by changing the linker length and the spacer length on which the melting properties depend using the molecular dynamics method. Melting temperature is determined by sigmoidal melting curves based on hybridization percentage versus temperature and the Lindemann melting rule simultaneously. We provide a computational strategy based on a coarse-grained model to estimate the hybridization enthalpy, entropy and free energy from percentages of hybridizations which are readily accessible in experiments. Importantly, the lifetime of DNA bond dehybridization based on temperature and the activation energy depending on DNA bond strength are also calculated. The simulation results are in good agreement with the theoretical analysis and the present experimental data. Our study provides a good strategy to predict the melting temperature which is important for the DNA-directed nanoparticle system, and bridges the dynamics and thermodynamics of DNA-directed nanoparticle systems by estimating the equilibrium constant from the hybridization of DNA bonds quantitatively.

Constraints on the rheology of the partially molten mantle from numerical models of laboratory experiments

NASA Astrophysics Data System (ADS)

Rudge, J. F.; Alisic Jewell, L.; Rhebergen, S.; Katz, R. F.; Wells, G. N.

2015-12-01

One of the fundamental components in any dynamical model of melt transport is the rheology of partially molten rock. This rheology is poorly understood, and one way in which a better understanding can be obtained is by comparing the results of laboratory deformation experiments to numerical models. Here we present a comparison between numerical models and the laboratory setup of Qi et al. 2013 (EPSL), where a cylinder of partially molten rock containing rigid spherical inclusions was placed under torsion. We have replicated this setup in a finite element model which solves the partial differential equations describing the mechanical process of compaction. These computationally-demanding 3D simulations are only possible due to the recent development of a new preconditioning method for the equations of magma dynamics. The experiments show a distinct pattern of melt-rich and melt-depleted regions around the inclusions. In our numerical models, the pattern of melt varies with key rheological parameters, such as the ratio of bulk to shear viscosity, and the porosity- and strain-rate-dependence of the shear viscosity. These observed melt patterns therefore have the potential to constrain rheological properties. While there are many similarities between the experiments and the numerical models, there are also important differences, which highlight the need for better models of the physics of two-phase mantle/magma dynamics. In particular, the laboratory experiments display more pervasive melt-rich bands than is seen in our numerics.

Rheology and microstructure of filled polymer melts

NASA Astrophysics Data System (ADS)

Anderson, Benjamin John

The states of particle dispersion in polymer nanocomposite melts are studied through rheological characterization of nanocomposite melt mechanical properties and small angle X-ray scattering measurement of the particle microstructure. The particle microstructure probed with scattering is related to bulk flow mechanics to determine the origin of slow dynamics in these complex dispersions: whether a gel or glass transition or a slowing down of dispersing phase dynamics. These studies were conducted to understand polymer mediated particle-particle interactions and potential particle-polymer phase separation. The phase behavior of the dispersion will be governed by enthalpic and entropic contributions. A variety of phases are expected: homogeneous fluid, phase separated, or non-equilibrium gel. The effects of dispersion control parameters, namely particle volume fraction, polymer molecular weight, and polymer-particle surface affinity, on the phase behavior of 44 nm silica dispersions are studied in low molecular weight polyethylene oxide (PEO), polyethylene oxide dimethylether (PEODME), and polytetrahydrofuran (PTHF). Scattering measurements of the particle second virial coefficient in PEO melts indicates repulsive particles by a value slightly greater than unity. In PEO nanocomposites, dispersion dynamics slow down witnessed by a plateau in the elastic modulus as the particle separation approaches the length scale of the polymer radius of gyration. As the polymer molecular weight is increased, the transition shifts to lower particle volume fractions. Below polymer entanglement, the slow dynamics mimics that of a colloidal glass by the appearance of two relaxation times in the viscous modulus that display power law scaling with volume fraction. Above entanglement, the slow dynamics is qualitatively different resembling the behavior of a gelled suspension yet lacking any sign of scattering from particle agglomerates. As polymer molecular weight is increased at a fixed volume fraction, two strain yielding events emerge. Further particle loading leads to the formation of a particle-polymer network and the onset of brittle mechanical behavior. The performance of PEO nanocomposites is contrasted by PEODME and PTHF nanocomposites where a change in the polymer segment-surface activity changes the slow dynamics of the nanocomposite and the microstructure of particles in the melt. Slow dynamics and the particle microstructure indicate a gelled suspension as volume fraction is raised with particles in or near contact and support the turning on of particle attractions in the melt.

Slowing down of ring polymer diffusion caused by inter-ring threading.

PubMed

Lee, Eunsang; Kim, Soree; Jung, YounJoon

2015-06-01

Diffusion of long ring polymers in a melt is much slower than the reorganization of their internal structures. While direct evidence for entanglements has not been observed in the long ring polymers unlike linear polymer melts, threading between the rings is suspected to be the main reason for slowing down of ring polymer diffusion. It is, however, difficult to define the threading configuration between two rings because the rings have no chain end. In this work, evidence for threading dynamics of ring polymers is presented by using molecular dynamics simulation and applying a novel analysis method. The simulation results are analyzed in terms of the statistics of persistence and exchange times that have proved useful in studying heterogeneous dynamics of glassy systems. It is found that the threading time of ring polymer melts increases more rapidly with the degree of polymerization than that of linear polymer melts. This indicates that threaded ring polymers cannot diffuse until an unthreading event occurs, which results in the slowing down of ring polymer diffusion. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Extensional Flow-Induced Dynamic Phase Transitions in Isotactic Polypropylene.

PubMed

Ju, Jianzhu; Wang, Zhen; Su, Fengmei; Ji, Youxin; Yang, Haoran; Chang, Jiarui; Ali, Sarmad; Li, Xiangyang; Li, Liangbin

2016-09-01

With a combination of fast extension rheometer and in situ synchrotron radiation ultra-fast small- and wide-angle X-ray scattering, flow-induced crystallization (FIC) of isotactic polypropylene (iPP) is studied at temperatures below and above the melting point of α crystals (Tmα). A flow phase diagram of iPP is constructed in strain rate-temperature space, composing of melt, non-crystalline shish, α and α&β coexistence regions, based on which the kinetic and dynamic competitions among these four phases are discussed. Above Tmα , imposing strong flow reverses thermodynamic stabilities of the disordered melt and the ordered phases, leading to the occurrence of FIC of β and α crystals as a dynamic phase transition. Either increasing temperature or stain rate favors the competiveness of the metastable β over the stable α crystals, which is attributed to kinetic rate rather than thermodynamic stability. The violent competitions among four phases near the boundary of crystal-melt may frustrate crystallization and result in the non-crystalline shish winning out. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic melting of metals in the diamond cell: Clues for melt viscosity?

NASA Astrophysics Data System (ADS)

Boehler, R.; Karandikar, A.; Yang, L.

2011-12-01

From the observed decreasing mobility of liquid iron at high pressure in the laser-heated diamond cell and the gradual decrease in the shear modulus in shock experiments, one may derive high viscosity in the liquid outer core of the Earth. A possible explanation could be the presence of local structures in the liquid as has been observed for several transition metals. In order to bridge the large gap in the timescales between static and dynamic melting experiments, we have developed new experimental techniques to solve the large discrepancies in the melting curves of transition metals (Fe, W, Ta, Mo) measured statically in the laser-heated diamond cell and in shock experiments. The new methods employ "single-shot" laser heating in order to reduce problems associated with mechanical instabilities and chemical reactions of the samples subjected to several thousand degrees at megabar pressures. For melt detection, both synchrotron X-ray diffraction and Scanning Electron Microscopy (SEM) on recovered samples are used. A third approach is the measurement of latent heat effects associated with melting or freezing. This method employs simultaneous CW and pulse laser heating and monitoring the temperature-time history with fast photomultipliers. Using the SEM recovery method, we measured first melting temperatures of rhenium, which at high pressure may be one of the most refractory materials. From the melt textures of Re, we did not observe a significant pressure dependence of viscosity.

Effect of Silica Particle Size of Nuclear Waste-to-Glass Conversion - 17319

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dixon, Derek R.; Cutforth, Derek A.; Vanderveer, Bradley J.

The process for converting nuclear waste-to-glass in an electric melter occurs in the cold cap, a crust of reacting solids floating on the glass pool. As the melter feed (a mixture of the nuclear waste and glass forming and modifying additives) heats up in the cold cap, glass-forming reactions ensue, causing the feed matrix to connect, trapping reaction gases to create a foam layer. The foam layer reduces the rate of melting by separating the reacting feed from the melt pool. The size of the silica particle additives in the melter feed affects melt viscosity and, hence, foam stability. Tomore » investigate this effect, seven nuclear waste simulant feeds of a high-level waste were batched as slurries and prepared with dissimilar ranges of silica particle size. Each slurry feed was charged into a laboratory-scale melter (LSM) to produce a cold cap and the propensity of feeds to foam was determined by pressing dried feeds into pellets and monitoring the change of pellet volume in response to heating. Two of these slurries were designed to have dissimilar glass viscosities at 1150°C. In the low temperature region of the cold cap, before the melter feed connects, the feeds without fine silica particles behaved similar to the high viscosity feed as their volume contracted while the feed with silica particles no larger than 5 µm reacted like the low viscosity feed. However, the feed volume similarities reversed as the feed connected and expanded through the foam region of the cold cap.« less

Melting beneath Greenland outlet glaciers and ice streams

NASA Astrophysics Data System (ADS)

Alexander, David; Perrette, Mahé; Beckmann, Johanna

2015-04-01

Basal melting of fast-flowing Greenland outlet glaciers and ice streams due to frictional heating at the ice-bed interface contributes significantly to total glacier mass balance and subglacial meltwater flux, yet modelling this basal melt process in Greenland has received minimal research attention. A one-dimensional dynamic ice-flow model is calibrated to the present day longitudinal profiles of 10 major Greenland outlet glaciers and ice streams (including the Jakobshavn Isbrae, Petermann Glacier and Helheim Glacier) and is validated against published ice flow and surface elevation measurements. Along each longitudinal profile, basal melt is calculated as a function of ice flow velocity and basal shear stress. The basal shear stress is dependent on the effective pressure (difference between ice overburden pressure and water pressure), basal roughness and a sliding parametrization. Model output indicates that where outlet glaciers and ice streams terminate into the ocean with either a small floating ice tongue or no floating tongue whatsoever, the proportion of basal melt to total melt (surface, basal and submarine melt) is 5-10% (e.g. Jakobshavn Isbrae; Daugaard-Jensen Glacier). This proportion is, however, negligible where larger ice tongues lose mass mostly by submarine melt (~1%; e.g. Nioghalvfjerdsfjorden Glacier). Modelled basal melt is highest immediately upvalley of the grounding line, with contributions typically up to 20-40% of the total melt for slippery beds and up to 30-70% for resistant beds. Additionally, modelled grounding line and calving front migration inland for all outlet glaciers and ice streams of hundreds of metres to several kilometres occurs. Including basal melt due to frictional heating in outlet glacier and ice stream models is important for more accurately modelling mass balance and subglacial meltwater flux, and therefore, more accurately modelling outlet glacier and ice stream dynamics and responses to future climate change.

Compressible magma/mantle dynamics: 3-D, adaptive simulations in ASPECT

NASA Astrophysics Data System (ADS)

Dannberg, Juliane; Heister, Timo

2016-12-01

Melt generation and migration are an important link between surface processes and the thermal and chemical evolution of the Earth's interior. However, their vastly different timescales make it difficult to study mantle convection and melt migration in a unified framework, especially for 3-D global models. And although experiments suggest an increase in melt volume of up to 20 per cent from the depth of melt generation to the surface, previous computations have neglected the individual compressibilities of the solid and the fluid phase. Here, we describe our extension of the finite element mantle convection code ASPECT that adds melt generation and migration. We use the original compressible formulation of the McKenzie equations, augmented by an equation for the conservation of energy. Applying adaptive mesh refinement to this type of problems is particularly advantageous, as the resolution can be increased in areas where melt is present and viscosity gradients are high, whereas a lower resolution is sufficient in regions without melt. Together with a high-performance, massively parallel implementation, this allows for high-resolution, 3-D, compressible, global mantle convection simulations coupled with melt migration. We evaluate the functionality and potential of this method using a series of benchmarks and model setups, compare results of the compressible and incompressible formulation, and show the effectiveness of adaptive mesh refinement when applied to melt migration. Our model of magma dynamics provides a framework for modelling processes on different scales and investigating links between processes occurring in the deep mantle and melt generation and migration. This approach could prove particularly useful applied to modelling the generation of komatiites or other melts originating in greater depths. The implementation is available in the Open Source ASPECT repository.

Models of the thermal effects of melt migration at continental interiors, with applications to the Colorado Plateau

NASA Astrophysics Data System (ADS)

Roy, M.; Rios, D.; Cosburn, K.

2017-12-01

Shear between the moving lithosphere and the underlying asthenospheric mantle can produce dynamic pressure gradients that control patterns of melt migration by percolative flow. Within continental interiors these pressure gradients may be large enough to focus melt migration into zones of low dynamic pressure and thus influence the surface distribution of magmatism. We build upon previous work to show that for a lithospheric keel that protrudes into the "mantle wind," spatially-variable melt migration can lead to spatially-variable thermal weakening of the lithosphere. Our models treat advective heat transfer in porous flow in the limit that heat transfer between the melt and surrounding matrix dominates over conductive heat transfer within either the melt or the solid alone. The models are parameterized by a heat transfer coefficient that we interpret to be related to the efficiency of heat transfer across the fluid-rock interface, related to the geometry and distribution of porosity. Our models quantitatively assess the viability of spatially variable thermal-weakening caused by melt-migration through continental regions that are characterized by variations in lithospheric thickness. We speculate upon the relevance of this process in producing surface patterns of Cenozoic magmatism and heatflow at the Colorado Plateau in the western US.

Acquire an Bruker Dimension FastScanTM Atomic Force Microscope (AFM) for Materials, Physical and Biological Science Research and Education

DTIC Science & Technology

2016-04-14

study dynamic events such as melting, evaporation, crystallization, dissolution, self-assembly, membrane disruption, sample movement tracking. To... polymeric hairy nanopraticle, suprastructures REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10. SPONSOR/MONITOR’S ACRONYM(S...the AFM will permit us to study dynamic events such as melting, evaporation, crystallization, dissolution, self-assembly, membrane disruption, sample

String-like cooperative motion in homogeneous melting

PubMed Central

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

2013-01-01

Despite the fundamental nature and practical importance of melting, there is still no generally accepted theory of this ubiquitous phenomenon. Even the earliest simulations of melting of hard discs by Alder and Wainwright indicated the active role of collective atomic motion in melting and here we utilize molecular dynamics simulation to determine whether these correlated motions are similar to those found in recent studies of glass-forming (GF) liquids and other condensed, strongly interacting, particle systems. We indeed find string-like collective atomic motion in our simulations of “superheated” Ni crystals, but other observations indicate significant differences from GF liquids. For example, we observe neither stretched exponential structural relaxation, nor any decoupling phenomenon, while we do find a boson peak, findings that have strong implications for understanding the physical origin of these universal properties of GF liquids. Our simulations also provide a novel view of “homogeneous” melting in which a small concentration of interstitial defects exerts a powerful effect on the crystal stability through their initiation and propagation of collective atomic motion. These relatively rare point defects are found to propagate down the strings like solitons, driving the collective motion. Crystal integrity remains preserved when the permutational atomic motions take the form of ring-like atomic exchanges, but a topological transition occurs at higher temperatures where the rings open to form linear chains similar in geometrical form and length distribution to the strings of GF liquids. The local symmetry breaking effect of the open strings apparently destabilizes the local lattice structure and precipitates crystal melting. The crystal defects are thus not static entities under dynamic conditions, such as elevated temperatures or material loading, but rather are active agents exhibiting a rich nonlinear dynamics that is not addressed in conventional “static” defect melting models. PMID:23556789

String-like cooperative motion in homogeneous melting.

PubMed

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

2013-03-28

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

Passive microwave derived snowmelt timing: significance, spatial and temporal variability, and potential applications

NASA Astrophysics Data System (ADS)

Semmens, Kathryn Alese

Snow accumulation and melt are dynamic features of the cryosphere indicative of a changing climate. Spring melt and refreeze timing are of particular importance due to the influence on subsequent hydrological and ecological processes, including peak runoff and green-up. To investigate the spatial and temporal variability of melt timing across a sub-arctic region (the Yukon River Basin (YRB), Alaska/Canada) dominated by snow and lacking substantial ground instrumentation, passive microwave remote sensing was utilized to provide daily brightness temperatures (Tb) regardless of clouds and darkness. Algorithms to derive the timing of melt onset and the end of melt-refreeze, a critical transition period where the snowpack melts during the day and refreezes at night, were based on thresholds for Tb and diurnal amplitude variations (day and night difference). Tb data from the Special Sensor Microwave Imager (1988 to 2011) was used for analyzing YRB terrestrial snowmelt timing and for characterizing melt regime patterns for icefields in Alaska and Patagonia. Tb data from the Advanced Microwave Scanning Radiometer for EOS (2003 to 2010) was used for determining the occurrence of early melt events (before melt onset) associated with fog or rain on snow, for investigating the correlation between melt timing and forest fires, and for driving a flux-based snowmelt runoff model. From the SSM/I analysis: the melt-refreeze period lengthened for the majority of the YRB with later end of melt-refreeze and earlier melt onset; and positive Tb anomalies were found in recent years from glacier melt dynamics. From the AMSR-E analysis: early melt events throughout the YRB were most often associated with warm air intrusions and reflect a consistent spatial distribution; years and areas of earlier melt onset and refreeze had more forest fire occurrences suggesting melt timing's effects extend to later seasons; and satellite derived melt timing served as an effective input for model simulation of discharge in remote, ungauged snow-dominated basins. The melt detection methodology and results present a new perspective on the changing cryosphere, provide an understanding of melt's influence on other earth system processes, and develop a baseline from which to assess and evaluate future change. The temporal and spatial variability conveyed through the regional context of this research may be useful to communities in climate change adaptation planning.

Phase equilibrium constraints on the origin of basalts, picrites, and komatiites

NASA Astrophysics Data System (ADS)

Herzberg, C.; O'Hara, M. J.

1998-07-01

Experimental phase equilibrium studies at pressures ranging from 1 atm to 10 GPa are sufficient to constrain the origin of igneous rocks formed along oceanic ridges and in hotspots. The major element geochemistry of MORB is dominated by partial crystallization at low pressures in the oceanic crust and uppermost mantle, forcing compliance with liquid compositions in low-pressure cotectic equilibrium with olivine, plagioclase and often augite too; parental magmas to MORB formed by partial melting, mixing, and pooling have not survived these effects. Similarly, picrites and komatiites can transform to basalts by partial crystallization in the crust and lithosphere. However, parental picrites and komatiites that were successful in erupting to the surface typically have compositions that can be matched to experimentally-observed anhydrous primary magmas in equilibrium with harzburgite [L+Ol+Opx] at 3.0 to 4.5 GPa. This pressure is likely to represent an average for pooled magmas that collected at the top of a plume head as it flattened below the lithosphere. There is substantial uniformity in the normative olivine content of primary magmas at all depths in a plume melt column, and this results in pooled komatiitic magmas that are equally uniform in normative olivine. However, the imposition of pressure above 3 GPa produces picrites and komatiites with variations in normative enstatite and Al 2O 3 that reveal plume potential temperature and depths of initial melting. Hotter plumes begin to melt deeper than cooler plumes, yielding picrites and komatiites that are enriched in normative enstatite and depleted in Al 2O 3 because of a deeper column within which orthopyroxene can dissolve during decompression. Pressures of initial melting span the 4 to 10 GPa range, increasing in the following order: Iceland, Hawaii, Gorgona, Belingwe, Barberton. Parental komatiites and picrites from a single plume also exhibit internal variability in normative enstatite and Al 2O 3, indicating either a poorly mixed partial melt aggregation process in the plume or the imposition of partial crystallization of olivine-orthopyroxenite on a well-mixed parental magma. Plume shape and thermal structure can also influence the petrology and geochemistry of picrites and komatiites. Liquids extracted from harzburgite residues [L+Ol+Opx] will dominate magmatism in a plume head, and can erupt to form komatiites in oceanic plateaus. Liquids extracted from garnet peridotite residues in a plume axis will gain in importance when the plume head partially solidifies and is removed from the hotspot by a moving lithosphere, as is the case for Hawaii. The paradoxical involvement of garnet indicated by the heavy rare earth elements in picrites that otherwise have a harzburgite signature in Hawaii can be explained by the mixing and collection of magmas from the plume axis. Volcanic rocks from Hawaii and Gorgona and xenoliths from cratonic mantle provide evidence for the importance of partial crystallization of plume magmas when they encounter a cold lithosphere. Harzburgite residua and olivine-orthopyroxene cumulates formed in plumes can yield compositionally distinct lithospheric mantle which is buoyant, and this could have provided an important foundation for the stabilization of the first continents.

Fluid Flow Characteristics and Porosity Behavior in Full Penetration Laser Welding of a Titanium Alloy

NASA Astrophysics Data System (ADS)

Chang, Baohua; Allen, Chris; Blackburn, Jon; Hilton, Paul; Du, Dong

2015-04-01

In this paper, a computational fluid mechanics model is developed for full penetration laser welding of titanium alloy Ti6Al4V. This has been used to analyze possible porosity formation mechanisms, based on predictions of keyhole behavior and fluid flow characteristics in the weld pool. Numerical results show that when laser welding 3 mm thickness titanium alloy sheets with given laser beam focusing optics, keyhole depth oscillates before a full penetration keyhole is formed, but thereafter keyhole collapses are not predicted numerically. For lower power, lower speed welding, the fluid flow behind the keyhole is turbulent and unstable, and vortices are formed. Molten metal is predicted to flow away from the center plane of the weld pool, and leave a gap or void within the weld pool behind the keyhole. For higher power, higher speed welding, fluid flow is less turbulent, and such vortices are not formed. Corresponding experimental results show that porosity was absent in the melt runs made at higher power and higher welding speed. In contrast, large pores were present in melt runs made at lower power and lower welding speed. Based on the combination of experimental results and numerical predictions, it is proposed that porosity formation when keyhole laser welding may result from turbulent fluid flow behind the keyhole, with the larger the value of associated Reynolds number, the higher the possibility of porosity formation. For such fluid flow controlled porosities, measures to decrease Reynolds number of the fluid flow close to the keyhole could prove effective in reducing or avoiding porosity.

Geodynamic modelling of low-buoyancy thermo-chemical plumes

NASA Astrophysics Data System (ADS)

Dannberg, Juliane; Sobolev, Stephan

2015-04-01

The Earth's biggest magmatic events that form Large Igneous Provinces are believed to originate from massive melting when hot mantle plumes rising from the lowermost mantle reach the base of the lithosphere. Classical models of thermal mantle plumes predict a flattening of the plume head to a disk-like structure, a kilometer-scale surface uplift just before the initiation of LIPs and thin plume tails. However, there are seismic observations and paleo-topography data that are difficult to explain with this classical approach. Here, using numerical models, we show that the issue can be resolved if major mantle plumes are thermo-chemical rather than purely thermal. It has been suggested a long time ago that subducted oceanic crust could be recycled by mantle plumes; and based on geochemical data, they may contain up to 15-20% of this recycled material in the form of dense eclogite, which drastically decreases their buoyancy and makes it depth-dependent. We perform numerical experiments in a 3D spherical shell geometry to investigate the dynamics of the plume ascent, the interaction between plume- and plate-driven flow and the dynamics of melting in a plume head. For this purpose, we use the finite-element code ASPECT, which allows for complex temperature-, pressure- and composition-dependent material properties. Moreover, our models incorporate phase transitions (including melting) with the accompanying rheological and density changes, Clapeyron slopes and latent heat effects for both peridotite and eclogite, mantle compressibility and a strong temperature- and depth-dependent viscosity. We demonstrate that despite their low buoyancy, such plumes can rise through the whole mantle causing only negligible surface uplift. Conditions for this ascent are high plume volume and moderate lower mantle subadiabaticity. While high plume buoyancy results in plumes directly advancing to the base of the lithosphere, plumes with slightly lower buoyancy pond in a depth of 300-400 km and form pools or a second layer of hot material. These structures are caused by phase transitions occurring in different depths in peridotite and eclogite; and they become asymmetric and finger-like channels begin to form when the plume gets entrained by a quickly moving overlying plate. We also show that the bulky tails of large and hot low-buoyancy plumes are stable for several tens of millions of years and that their shapes fit seismic tomography data much better than the narrow tails of thermal plumes.

3D Compressible Melt Transport with Adaptive Mesh Refinement

NASA Astrophysics Data System (ADS)

Dannberg, Juliane; Heister, Timo

2015-04-01

Melt generation and migration have been the subject of numerous investigations, but their typical time and length-scales are vastly different from mantle convection, which makes it difficult to study these processes in a unified framework. The equations that describe coupled Stokes-Darcy flow have been derived a long time ago and they have been successfully implemented and applied in numerical models (Keller et al., 2013). However, modelling magma dynamics poses the challenge of highly non-linear and spatially variable material properties, in particular the viscosity. Applying adaptive mesh refinement to this type of problems is particularly advantageous, as the resolution can be increased in mesh cells where melt is present and viscosity gradients are high, whereas a lower resolution is sufficient in regions without melt. In addition, previous models neglect the compressibility of both the solid and the fluid phase. However, experiments have shown that the melt density change from the depth of melt generation to the surface leads to a volume increase of up to 20%. Considering these volume changes in both phases also ensures self-consistency of models that strive to link melt generation to processes in the deeper mantle, where the compressibility of the solid phase becomes more important. We describe our extension of the finite-element mantle convection code ASPECT (Kronbichler et al., 2012) that allows for solving additional equations describing the behaviour of silicate melt percolating through and interacting with a viscously deforming host rock. We use the original compressible formulation of the McKenzie equations, augmented by an equation for the conservation of energy. This approach includes both melt migration and melt generation with the accompanying latent heat effects. We evaluate the functionality and potential of this method using a series of simple model setups and benchmarks, comparing results of the compressible and incompressible formulation and showing the potential of adaptive mesh refinement when applied to melt migration. Our model of magma dynamics provides a framework for modelling processes on different scales and investigating links between processes occurring in the deep mantle and melt generation and migration. This approach could prove particularly useful applied to modelling the generation of komatiites or other melts originating in greater depths. Keller, T., D. A. May, and B. J. P. Kaus (2013), Numerical modelling of magma dynamics coupled to tectonic deformation of lithosphere and crust, Geophysical Journal International, 195 (3), 1406-1442. Kronbichler, M., T. Heister, and W. Bangerth (2012), High accuracy mantle convection simulation through modern numerical methods, Geophysical Journal International, 191 (1), 12-29.

Reactive transport in a partially molten system with binary solid solution

NASA Astrophysics Data System (ADS)

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 qualitative behavior of reactive melt transport simulations conducted in two-dimensions. The theoretical framework presented can be extended to more complex and realistic phase behavior, and is therefore a useful tool for understanding nonlinear feedbacks in reactive melt transport problems relevant to mantle dynamics.

High-pressure melting of molybdenum.

PubMed

Belonoshko, A B; Simak, S I; Kochetov, A E; Johansson, B; Burakovsky, L; Preston, D L

2004-05-14

The melting curve of the body-centered cubic (bcc) phase of Mo has been determined for a wide pressure range using both direct ab initio molecular dynamics simulations of melting as well as a phenomenological theory of melting. These two methods show very good agreement. The simulations are based on density functional theory within the generalized gradient approximation. Our calculated equation of state of bcc Mo is in excellent agreement with experimental data. However, our melting curve is substantially higher than the one determined in diamond anvil cell experiments up to a pressure of 100 GPa. An explanation is suggested for this discrepancy.

Polymer dynamics under cylindrical confinement featuring a locally repulsive surface: A quasielastic neutron scattering study

DOE PAGES

Krutyeva, M.; Pasini, S.; Monkenbusch, M.; ...

2017-02-02

We investigated the effect of intermediate cylindrical confinement with locally repulsive walls on the segmental and entanglement dynamics of a polymer melt by quasielastic neutron scattering. As a reference, we measured the corresponding polymer melt under identical conditions. The locally repulsive confinement was realized by hydrophilic anodic alumina nanopores with a diameter of 20 nm. The end-to-end distance of the hydrophobic infiltrated polyethylene-alt-propylene was close to this diameter. In the case of hard wall repulsion with negligible local attraction, several simulations predicted an acceleration of segmental dynamics close to the wall. Other than in attractive or neutral systems, where themore » segmental dynamics is slowed down, we found that the segmental dynamics in the nanopores is identical to the local mobility in the bulk. Even under very careful scrutiny, we could not find any acceleration of the surface-near segmental motion. On the larger time scale, the neutron spin-echo experiment showed that the Rouse relaxation was not altered by confinement effects. Moreover, the entanglement dynamics was not affected. Thus at moderate confinement conditions, facilitated by locally repulsive walls, the dynamics remains as in the bulk melt, a result that is not so clear from simulations.« less

The Pathway of Oligomeric DNA Melting Investigated by Molecular Dynamics Simulations

PubMed Central

Wong, Ka-Yiu; Pettitt, B. Montgomery

2008-01-01

Details of the reaction coordinate for DNA melting are fundamental to much of biology and biotechnology. Recently, it has been shown experimentally that there are at least three states involved. To clarify the reaction mechanism of the melting transition of DNA, we perform 100-ns molecular dynamics simulations of a homo-oligomeric, 12-basepair DNA duplex, d(A12)·d(T12), with explicit salt water at 400 K. Analysis of the trajectory reveals the various biochemically important processes that occur on different timescales. Peeling (including fraying from the ends), searching for Watson-Crick complements, and dissociation are recognizable processes. However, we find that basepair searching for Watson-Crick complements along a strand is not mechanistically tied to or directly accessible from the dissociation steps of strand melting. A three-step melting mechanism is proposed where the untwisting of the duplex is determined to be the major component of the reaction coordinate at the barrier. Though the observations are limited to the characteristics of the system being studied, they provide important insight into the mechanism of melting of other more biologically relevant forms of DNA, which will certainly differ in details from those here. PMID:18952784

Effects of riffle length on the short-term movement of fishes among stream pools.

Treesearch

David George Lonzarich; Mary Ruth Elger Lonzrich; Melvin L. Warren

2000-01-01

Recent research has suggested that the within-habitat dynamics of fish populations and assemblages can be affected by the spatial distribution of habitats within streams. In this study, we determined the extent to which pool isolation (length of riffles connecting adjacent pools) influenced fish movement in two Arkansas streams. We marked individuals from 12 pools...

Thermal evolutions of two kinds of melt pond with different salinity

NASA Astrophysics Data System (ADS)

Kim, Joo-Hong; Wilkinson, Jeremy; Moon, Woosok; Hwang, Byongjun; Granskog, Mats

2016-04-01

Melt ponds are water pools on sea ice. Their formation reduces ice surface albedo and alter surface energy balance, by which the ice melting and freezing processes are regulated. Thus, better understanding of their radiative characteristics has been vital to improve the simulation of melting/freezing of sea ice in numerical models. A melt pond would preserve nearly fresh water if it formed on multi-year ice and no flooding of sea water occurred, whereas a melt pond would contain more salty water if it formed on thinner and porous first-year ice, if there were an inflow of sea water by streams or cracks. One would expect that the fluid dynamic/thermodynamic properties (e.g., turbulence, stability, etc.) of pond water are influenced by the salinity, so that the response of pond water to any heat input (e.g., shortwave radiation) would be different. Therefore, better understanding of the salinity-dependent thermal evolution also has significant potential to improve the numerical simulation of the sea ice melting/freezing response to radiative thermal forcing. To observe and understand the salinity-dependent thermal evolution, two ice mass balance buoys (IMBs) were deployed in two kinds (fresh and salty) of melt pond on a same ice floe on 13 August 2015 during Araon Arctic cruise. The thermistor chain, extending from the air through the pond and ice into the sea water, was deployed through a drilled borehole inside the pond. Besides, the IMBs were also accompanied with three broadband solar radiation sensors (two (up and down) in the air over melt pond and one upward-looking under sea ice) to measure the net shortwave radiation at the pond surface and the penetrating solar radiation through ice. Also, the web camera was installed to observe any updates in the conditions of equipment and surrounding environment (e.g., weather, surface state, etc.). On the date of deployment, the fresh pond had salinity of 2.3 psu, light blue color, lots of slush ice particles which increased opacity, and under-pond ice thickness of 219 cm, whereas the salty pond had salinity of 20 psu, dark blue color, only transparent water, and under-pond ice thickness of 100 cm. Temporal evolutions of mean water temperature of the two ponds are contrasted and showed that the fresh pond had about 1degC warmer temperature than the salty pond. The existence of slush ice particles in the pond seems to be responsible for this temperature difference. Multiple scattering by slush ice particles could lead to more absorption of shortwave radiation. A comparison of vertical profiles of water temperature shows that there existed an internal maximum heating layer in the fresh pond. Possibly, this profile might indicate the the below layer unstable, which might have efficient thermal propagation to the ice surface. On the other hand, the vertical temperature profile of the salty pond had internal thermocline near the pond bottom, but so that the upper heating may not efficiently propagate downward to the ice surface.

Filter vapor trap

DOEpatents

Guon, Jerold

1976-04-13

A sintered filter trap is adapted for insertion in a gas stream of sodium vapor to condense and deposit sodium thereon. The filter is heated and operated above the melting temperature of sodium, resulting in a more efficient means to remove sodium particulates from the effluent inert gas emanating from the surface of a liquid sodium pool. Preferably the filter leaves are precoated with a natrophobic coating such as tetracosane.

A combined basalt and peridotite perspective on 14 million years of melt generation at the Atlantis Bank segment of the Southwest Indian Ridge: Evidence for temporal changes in mantle dynamics?

USGS Publications Warehouse

Coogan, L.A.; Thompson, G.M.; MacLeod, C.J.; Dick, H.J.B.; Edwards, S.J.; Hosford, Scheirer A.; Barry, T.L.

2004-01-01

Little is known about temporal variations in melt generation and extraction at midocean ridges largely due to the paucity of sampling along flow lines. Here we present new whole-rock major and trace element data, and mineral and glass major element data, for 71 basaltic samples (lavas and dykes) and 23 peridotites from the same ridge segment (the Atlantis Bank segment of the Southwest Indian Ridge). These samples span an age range of almost 14 My and, in combination with the large amount of published data from this area, allow temporal variations in melting processes to be investigated. Basalts show systematic changes in incompatible trace element ratios with the older samples (from ???8-14 Ma) having more depleted incompatible trace element ratios than the younger ones. There is, however, no corresponding change in peridotite compositions. Peridotites come from the top of the melting column, where the extent of melting is highest, suggesting that the maximum degree of melting did not change over this interval of time. New and published Nd isotopic ratios of basalts, dykes and gabbros from this segment suggest that the average source composition has been approximately constant over this time interval. These data are most readily explained by a model in which the average source composition and temperature have not changed over the last 14 My, but the dynamics of mantle flow (active-to-passive) or melt extraction (less-to-more efficient extraction from the 'wings' of the melting column) has changed significantly. This hypothesised change in mantle dynamics occurs at roughly the same time as a change from a period of detachment faulting to 'normal' crustal accretion. We speculate that active mantle flow may impart sufficient shear stress on the base of the lithosphere to rotate the regional stress field and promote the formation of low angle normal faults. ?? 2004 Elsevier B.V. All rights reserved.

Kinetic limit of heterogeneous melting in metals.

PubMed

Ivanov, Dmitriy S; Zhigilei, Leonid V

2007-05-11

The velocity and nanoscale shape of the melting front are investigated in a model that combines the molecular dynamics method with a continuum description of the electron heat conduction and electron-phonon coupling. The velocity of the melting front is strongly affected by the local drop of the lattice temperature, defined by the kinetic balance between the transfer of thermal energy to the latent heat of melting, the electron heat conduction from the overheated solid, and the electron-phonon coupling. The maximum velocity of the melting front is found to be below 3% of the room temperature speed of sound in the crystal, suggesting a limited contribution of heterogeneous melting under conditions of fast heating.

A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation

NASA Astrophysics Data System (ADS)

Weingarten, N. Scott; Mattson, William D.; Yau, Anthony D.; Weihs, Timothy P.; Rice, Betsy M.

2010-05-01

To elucidate the mechanisms of energy release in a reacting nickel/aluminum bilayer, we simulate the exothermic alloying reactions using both microcanonical and isoenthalpic-isobaric molecular dynamics simulations and an embedded-atom method type potential. The mechanism of the mixing consists of a sequence of steps in which mixing and reaction first occurs at the interface; the resulting heat generated from the mixing then melts the Al layer; subsequent mixing leads to further heat generation after which the Ni layer melts. The mixing continues until the alloying reactions are completed. The results indicate that pressure has a significant influence on the rates of atomic mixing and alloying reactions. Local pressures and temperatures within the individual layers at the time of melting are calculated, and these results are compared with the pressure-dependent melting curves determined for pure Al and pure Ni using this interaction potential.

Voltage noise of current-driven vortices in disordered Josephson junction arrays.

PubMed

He, G L; Zhao, Z G; Liu, S; Yang, Y H; Liu, M; Xing, D Y

2006-08-16

Dynamical phenomena of moving vortices and voltage noise spectra are studied in disordered Josephson junction arrays (JJAs). The plastic motion of vortices, smectic flow, and moving Bragg glass phases are separated by two dynamic melting transitions driven by current. From the voltage noise spectra of moving vortices, it is found that the driving current plays an important role in the melting of pinning vortices glass and ordering of moving vortices. The features of noise spectra obtained in the disordered JJA model have been observed recently in the high-temperature superconductor Bi(2)Sr(2)CaCu(2)O(y) near the first-order melting transition, indicating that both of them are related to each other.

Freezing and melting water in lamellar structures.

PubMed Central

Gleeson, J T; Erramilli, S; Gruner, S M

1994-01-01

The manner in which ice forms in lamellar suspensions of dielaidoylphosphatidylethanolamine, dielaidoylphosphatidylcholine, and dioleoylphosphatidylcholine in water depends strongly on the water fraction. For weight fractions between 15 and 9%, the freezing and melting temperatures are significantly depressed below 0 degree C. The ice exhibits a continuous melting transition spanning as much as 20 degrees C. When the water weight fraction is below 9%, ice never forms at temperatures as low as -40 degrees C. We show that when water contained in a lamellar lipid suspension freezes, the ice is not found between the bilayers; it exists as pools of crystalline ice in equilibrium with the bound water associated with the polar lipid headgroups. We have used this effect, together with the known chemical potential of ice, to measure hydration forces between lipid bilayers. We find exponentially decaying hydration repulsion when the bilayers are less than about 7 A apart. For larger separations, we find significant deviations from single exponential decay. PMID:7948683

Thermographic In-Situ Process Monitoring of the Electron Beam Melting Technology used in Additive Manufacturing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dinwiddie, Ralph Barton; Dehoff, Ryan R; Lloyd, Peter D

2013-01-01

Oak Ridge National Laboratory (ORNL) has been utilizing the ARCAM electron beam melting technology to additively manufacture complex geometric structures directly from powder. Although the technology has demonstrated the ability to decrease costs, decrease manufacturing lead-time and fabricate complex structures that are impossible to fabricate through conventional processing techniques, certification of the component quality can be challenging. Because the process involves the continuous deposition of successive layers of material, each layer can be examined without destructively testing the component. However, in-situ process monitoring is difficult due to metallization on inside surfaces caused by evaporation and condensation of metal from themore » melt pool. This work describes a solution to one of the challenges to continuously imaging inside of the chamber during the EBM process. Here, the utilization of a continuously moving Mylar film canister is described. Results will be presented related to in-situ process monitoring and how this technique results in improved mechanical properties and reliability of the process.« less

Relationship of Powder Feedstock Variability to Microstructure and Defects in Selective Laser Melted Alloy 718

NASA Technical Reports Server (NTRS)

Smith, T. M.; Kloesel, M. F.; Sudbrack, C. K.

2017-01-01

Powder-bed additive manufacturing processes use fine powders to build parts layer by layer. For selective laser melted (SLM) Alloy 718, the powders that are available off-the-shelf are in the 10-45 or 15-45 micron size range. A comprehensive investigation of sixteen powders from these typical ranges and two off-nominal-sized powders is underway to gain insight into the impact of feedstock on processing, durability and performance of 718 SLM space-flight hardware. This talk emphasizes an aspect of this work: the impact of powder variability on the microstructure and defects observed in the as-fabricated and full heated material, where lab-scale components were built using vendor recommended parameters. These typical powders exhibit variation in composition, percentage of fines, roughness, morphology and particle size distribution. How these differences relate to the melt-pool size, porosity, grain structure, precipitate distributions, and inclusion content will be presented and discussed in context of build quality and powder acceptance.

The dual impact of ecology and management on social incentives in marine common-pool resource systems.

PubMed

Klein, E S; Barbier, M R; Watson, J R

2017-08-01

Understanding how and when cooperative human behaviour forms in common-pool resource systems is critical to illuminating social-ecological systems and designing governance institutions that promote sustainable resource use. Before assessing the full complexity of social dynamics, it is essential to understand, concretely and mechanistically, how resource dynamics and human actions interact to create incentives and pay-offs for social behaviours. Here, we investigated how such incentives for information sharing are affected by spatial dynamics and management in a common-pool resource system. Using interviews with fishermen to inform an agent-based model, we reveal generic mechanisms through which, for a given ecological setting characterized by the spatial dynamics of the resource, the two 'human factors' of information sharing and management may heterogeneously impact various members of a group for whom theory would otherwise predict the same strategy. When users can deplete the resource, these interactions are further affected by the management approach. Finally, we discuss the implications of alternative motivations, such as equity among fishermen and consistency of the fleet's output. Our results indicate that resource spatial dynamics, form of management and level of depletion can interact to alter the sociality of people in common-pool resource systems, providing necessary insight for future study of strategic decision processes.

Volatile and light lithophile elements in high-anorthite plagioclase-hosted melt inclusions from Iceland

NASA Astrophysics Data System (ADS)

Neave, David A.; Hartley, Margaret E.; Maclennan, John; Edmonds, Marie; Thordarson, Thorvaldur

2017-05-01

Melt inclusions formed during the early stages of magmatic evolution trap primitive melt compositions and enable the volatile contents of primary melts and the mantle to be estimated. However, the syn- and post-entrapment behaviour of volatiles in primitive high-anorthite plagioclase-hosted melt inclusions from oceanic basalts remains poorly constrained. To address this deficit, we present volatile and light lithophile element analyses from a well-characterised suite of nine matrix glasses and 102 melt inclusions from the 10 ka Grímsvötn tephra series (i.e., Saksunarvatn ash) of Iceland's Eastern Volcanic Zone (EVZ). High matrix glass H2O and S contents indicate that eruption-related exsolution was arrested by quenching in a phreatomagmatic setting; Li, B, F and Cl did not exsolve during eruption. The almost uniformly low CO2 content of plagioclase-hosted melt inclusions cannot be explained by either shallow entrapment or the sequestration of CO2 into shrinkage bubbles, suggesting that inclusion CO2 contents were controlled by decrepitation instead. High H2O/Ce values in primitive plagioclase-hosted inclusions (182-823) generally exceed values expected for EVZ primary melts (∼ 180), and can be accounted for by diffusive H2O gain following the entrainment of primitive macrocrysts into evolved and H2O-rich melts a few days before eruption. A strong positive correlation between H2O and Li in plagioclase-hosted inclusions suggests that diffusive Li gain may also have occurred. Extreme F enrichments in primitive plagioclase-hosted inclusions (F/Nd = 51-216 versus ∼15 in matrix glasses) possibly reflect the entrapment of inclusions from high-Al/(Al + Si) melt pools formed by dissolution-crystallisation processes (as indicated by HFSE depletions in some inclusions), and into which F was concentrated by uphill diffusion since F is highly soluble in Al-rich melts. The high S/Dy of primitive inclusions (∼300) indicates that primary melts were S-rich in comparison with most oceanic basalts. Cl and B are unfractionated from similarly compatible trace elements, and preserve records of primary melt heterogeneity. Although primitive plagioclase-hosted melt inclusions from the 10 ka Grímsvötn tephra series record few primary signals in their volatile contents, they nevertheless record information about crustal magma processing that is not captured in olivine-hosted melt inclusions suites.

Determination and controlling of grain structure of metals after laser incidence: Theoretical approach

PubMed Central

Dezfoli, Amir Reza Ansari; Hwang, Weng-Sing; Huang, Wei-Chin; Tsai, Tsung-Wen

2017-01-01

There are serious questions about the grain structure of metals after laser melting and the ways that it can be controlled. In this regard, the current paper explains the grain structure of metals after laser melting using a new model based on combination of 3D finite element (FE) and cellular automaton (CA) models validated by experimental observation. Competitive grain growth, relation between heat flows and grain orientation and the effect of laser scanning speed on final micro structure are discussed with details. Grains structure after laser melting is founded to be columnar with a tilt angle toward the direction of the laser movement. Furthermore, this investigation shows that the grain orientation is a function of conduction heat flux at molten pool boundary. Moreover, using the secondary laser heat source (SLHS) as a new approach to control the grain structure during the laser melting is presented. The results proved that the grain structure can be controlled and improved significantly using SLHS. Using SLHS, the grain orientation and uniformity can be change easily. In fact, this method can help us to produce materials with different local mechanical properties during laser processing according to their application requirements. PMID:28134347

Hardness, microstructure and surface characterization of laser gas nitrided commercially pure titanium using high power CO{sub 2} laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Selvan, J.S.; Subramanian, K.; Nath, A.K.

Surface nitriding of commercially pure (CP) titanium was carried out using high power CO{sub 2} laser at pure nitrogen and dilute nitrogen (N{sub 2} + Ar) environment. The hardness, microstructure, and melt pool configuration of the laser melted titanium in helium and argon atmosphere was compared with laser melting at pure and dilute nitrogen environment. The hardness of the nitrided layer was of the order of 1000 to 1600 HV. The hardness of the laser melted titanium in the argon and helium atmosphere was 500 to 1000 HV. Using x-ray analysis of the formation of TiN and Ti{sub 2}N phasemore » was identified in the laser nitrided titanium. The presence of nitrogen in the nitrided zone was confirmed using secondary ion mass spectroscopy (SIMS) analysis. The microstructures revealed densely populated dendrites in the sample nitrided at 100% N{sub 2} environment and thinly populated dendrites in dilute environment. The crack intensity was large in the nitrided sample at pure nitrogen, and few cracks were observed in the 50% N{sub 2} + 50% Ar environment.« less

Seasonal Snowpack Dynamics and Runoff in a Maritime Forested Basin, Niigata, Japan

NASA Astrophysics Data System (ADS)

Whitaker, A. C.; Sugiyama, H.

2005-12-01

Seasonal snowpack dynamics are described through field measurements under contrasting canopy conditions for a mountainous catchment in the Japan Sea region. Microclimatic data, snow accumulation, albedo and lysimeter runoff is given through three complete winter seasons 2002-05 in: (1) mature cedar stand, (2) larch stand, and (3) regenerating cedar stand or opening. The accumulation and melt of seasonal snowpack strongly influences streamflow runoff during December to May, including winter base-flow, mid-winter melt, rain-on-snow, and diurnal peaks driven by radiation melt in spring. Lysimeter runoff at all sites is characterised by constant ground melt of 0.8-1.0 mm/day. Rapid response to mid-winter melt or rainfall shows that the snowpack remains in a ripe or near-ripe condition throughout the snowcover season. Hourly and daily lysimeter discharge was greatest during rain-on-snow with the majority of runoff due to rainfall passing through the snowpack as opposed to snowmelt. For both rain-on-snow and radiation melt events lysimeter discharge was generally greatest at the open site, although there were exceptions such as during interception melt events. During radiation melt instantaneous discharge was up to 4.0 times greater in the opening compared to the mature cedar, and 48-hour discharge was up to 2.5 times greater. Perhaps characteristic of maritime climates, forest interception melt is shown to be important in addition to sublimation in reducing snow accumulation beneath dense canopies. While sublimation represents a loss from the catchment water balance, interception melt percolates through the snowpack and contributes to soil moisture during the winter season. Strong differences in microclimate and snowpack albedo persisted between cedar, larch and open sites, and it is suggested further work is needed to account for this in hydrological simulation models.

Molecular dynamics simulations of melting and the glass transition of nitromethane.

PubMed

Zheng, Lianqing; Luo, Sheng-Nian; Thompson, Donald L

2006-04-21

Molecular dynamics simulations have been used to investigate the thermodynamic melting point of the crystalline nitromethane, the melting mechanism of superheated crystalline nitromethane, and the physical properties of crystalline and glassy nitromethane. The maximum superheating and glass transition temperatures of nitromethane are calculated to be 316 and 160 K, respectively, for heating and cooling rates of 8.9 x 10(9) Ks. Using the hysteresis method [Luo et al., J. Chem. Phys. 120, 11640 (2004)] and by taking the glass transition temperature as the supercooling temperature, we calculate a value of 251.1 K for the thermodynamic melting point, which is in excellent agreement with the two-phase result [Agrawal et al., J. Chem. Phys. 119, 9617 (2003)] of 255.5 K and measured value of 244.73 K. In the melting process, the nitromethane molecules begin to rotate about their lattice positions in the crystal, followed by translational freedom of the molecules. A nucleation mechanism for the melting is illustrated by the distribution of the local translational order parameter. The critical values of the Lindemann index for the C and N atoms immediately prior to melting (the Lindemann criterion) are found to be around 0.155 at 1 atm. The intramolecular motions and molecular structure of nitromethane undergo no abrupt changes upon melting, indicating that the intramolecular degrees of freedom have little effect on the melting. The thermal expansion coefficient and bulk modulus are predicted to be about two or three times larger in crystalline nitromethane than in glassy nitromethane. The vibrational density of states is almost identical in both phases.

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

NASA Astrophysics Data System (ADS)

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.

Links Between Acceleration, Melting, and Supraglacial Lake Drainage of the Western Greenland Ice Sheet

NASA Technical Reports Server (NTRS)

Hoffman, M. J.; Catania, G. A.; Newmann, T. A.; Andrews, L. C.; Rumrill, J. A.

2012-01-01

The impact of increasing summer melt on the dynamics and stability of the Greenland Ice Sheet is not fully understood. Mounting evidence suggests seasonal evolution of subglacial drainage mitigates or counteracts the ability of surface runoff to increase basal sliding. Here, we compare subdaily ice velocity and uplift derived from nine Global Positioning System stations in the upper ablation zone in west Greenland to surface melt and supraglacial lake drainage during summer 2007. Starting around day 173, we observe speedups of 6-41% above spring velocity lasting approximately 40 days accompanied by sustained surface uplift at most stations, followed by a late summer slowdown. After initial speedup, we see a spatially uniform velocity response across the ablation zone and strong diurnal velocity variations during periods of melting. Most lake drainages were undetectable in the velocity record, and those that were detected only perturbed velocities for approximately 1 day, suggesting preexisting drainage systems could efficiently drain large volumes of water. The dynamic response to melt forcing appears to 1) be driven by changes in subglacial storage of water that is delivered in diurnal and episodic pulses, and 2) decrease over the course of the summer, presumably as the subglacial drainage system evolves to greater efficiency. The relationship between hydrology and ice dynamics observed is similar to that observed on mountain glaciers, suggesting that seasonally large water pressures under the ice sheet largely compensate for the greater ice thickness considered here. Thus, increases in summer melting may not guarantee faster seasonal ice flow.

Links Between Acceleration, Melting, and Supraglacial Lake Drainage of the Western Greenland Ice Sheet

NASA Technical Reports Server (NTRS)

Hoffman, M. J.; Catania, G. A.; Neumann, T. A.; Andrews, L. C.; Rumrill, J. A.

2011-01-01

The impact of increasing summer melt on the dynamics and stability of the Greenland Ice Sheet is not fully understood. Mounting evidence suggests seasonal evolution of subglacial drainage mitigates or counteracts the ability of surface runoff to increase basal sliding. Here, we compare subdaily ice velocity and uplift derived from nine Global Positioning System stations in the upper ablation zone in west Greenland to surface melt and supraglacial lake drainage during summer 2007. Starting around day 173, we observe speedups of 6-41% above spring velocity lasting 40 days accompanied by sustained surface uplift at most stations, followed by a late summer slowdown. After initial speedup, we see a spatially uniform velocity response across the ablation zone and strong diurnal velocity variations during periods of melting. Most lake drainages were undetectable in the velocity record, and those that were detected only perturbed velocities for approx 1 day, suggesting preexisting drainage systems could efficiently drain large volumes of water. The dynamic response to melt forcing appears to (1) be driven by changes in subglacial storage of water that is delivered in diurnal and episodic pulses, and (2) decrease over the course of the summer, presumably as the subglacial drainage system evolves to greater efficiency. The relationship between hydrology and ice dynamics observed is similar to that observed on mountain glaciers, suggesting that seasonally large water pressures under the ice sheet largely compensate for the greater ice thickness considered here. Thus, increases in summer melting may not guarantee faster seasonal ice flow.

Molecular dynamical simulations of melting Al nanoparticles using a reaxff reactive force field

NASA Astrophysics Data System (ADS)

Liu, Junpeng; Wang, Mengjun; Liu, Pingan

2018-06-01

Molecular dynamics simulations were performed to study thermal properties and melting points of Al nanoparticles by using a reactive force field under canonical (NVT) ensembles. Al nanoparticles (particle size 2–4 nm) were considered in simulations. A combination of structural and thermodynamic parameters such as the Lindemann index, heat capacities, potential energy and radial-distribution functions was employed to decide melting points. We used annealing technique to obtain the initial Al nanoparticle model. Comparison was made between ReaxFF results and other simulation results. We found that ReaxFF force field is reasonable to describe Al cluster melting behavior. The linear relationship between particle size and melting points was found. After validating the ReaxFF force field, more attention was paid on thermal properties of Al nanoparticles with different defect concentrations. 4 nm Al nanoparticles with different defect concentrations (5%–20%) were considered in this paper. Our results revealed that: the melting points are irrelevant with defect concentration at a certain particle size. The extra storage energy of Al nanoparticles is proportional to nanoparticles’ defect concentration, when defect concentration is 5%–15%. While the particle with 20% defect concentration is similar to the cluster with 10% defect concentration. After melting, the extra energy of all nanoparticles decreases sharply, and the extra storage energy is nearly zero at 600 K. The centro-symmetry parameter analysis shows structure evolution of different models during melting processes.

High seismic attenuation at a mid-ocean ridge reveals the distribution of deep melt.

PubMed

Eilon, Zachary C; Abers, Geoffrey A

2017-05-01

At most mid-ocean ridges, a wide region of decompression melting must be reconciled with a narrow neovolcanic zone and the establishment of full oceanic crustal thickness close to the rift axis. Two competing paradigms have been proposed to explain melt focusing: narrow mantle upwelling due to dynamic effects related to in situ melt or wide mantle upwelling with lateral melt transport in inclined channels. Measurements of seismic attenuation provide a tool for identifying and characterizing the presence of melt and thermal heterogeneity in the upper mantle. We use a unique data set of teleseismic body waves recorded on the Cascadia Initiative's Amphibious Array to simultaneously measure seismic attenuation and velocity across an entire oceanic microplate. We observe maximal differential attenuation and the largest delays ([Formula: see text] s and δ T S ~ 2 s) in a narrow zone <50 km from the Juan de Fuca and Gorda ridge axes, with values that are not consistent with laboratory estimates of temperature or water effects. The implied seismic quality factor ( Q s ≤ 25) is among the lowest observed worldwide. Models harnessing experimentally derived anelastic scaling relationships require a 150-km-deep subridge region containing up to 2% in situ melt. The low viscosity and low density associated with this deep, narrow melt column provide the conditions for dynamic mantle upwelling, explaining a suite of geophysical observations at ridges, including electrical conductivity and shear velocity anomalies.

Melting and Reactive Flow of Carbonated Peridotite Beneath Mid-Ocean Ridges

NASA Astrophysics Data System (ADS)

Keller, T.; Katz, R. F.

2015-12-01

The mantle carbon reservoir is four orders of magnitude more massive than that of the atmosphere and ocean combined. The behaviour of carbon in the mantle, especially its transport and extraction, is thus of crucial importance to understanding the coupling between the deep interior and the surface environment of Earth. Laboratory experiments indicate that even small concentrations of carbon dioxide (and other volatiles like H2O) in the upper mantle significantly affect silicate melting [HK96,DH06] by stabilising carbon-rich melt at high pressure. The presence of carbon in the mantle substantially extends the region where partial melt is stable and has important consequences for the dynamics of magma transport and chemical differentiation [H10,DH10]. We have developed theory and numerical implementation to simulate thermo-chemically coupled magma/mantle dynamics in terms of a two-phase (rock+melt), three component (dunite+MORB+carbonated MORB) physical model. The fluid dynamics is based on McKenzie's equations [McK84]. The thermo-chemical formulation of the system is represented by a novel, disequilibrium, multi-component melting model based on thermodynamic theory [RBS11]. This physical model is implemented as a parallel, two-dimensional, finite-volume code that leverages tools from the PETSc toolkit. First results show that carbon and other volatiles cause a qualitative difference to the style of melt transport, potentially enhancing its extraction efficiency - measured in the carbon mass flux arriving at the mid-ocean ridge axis - by at least an order of magnitude. The process that controls magma transport in our models is a volatile flux-induced reactive infiltration instability, causing carbonated melt to rise from depth in localized channels. These results add to our understanding of melt formation and transport at mid-ocean ridges (the most important magmatic system in the mantle) and may have important implications for subduction zones. REFERENCESHK96 Hirth & Kohlstedt (1996), EPSLDH06 Dasgupta & Hirschmann (2006), NatureH10 Hirschmann (2010), PEPI DH10 Dasgupta & Hirschmann (2010), EPSLMcK84 McKenzie (1984), J PetKW12 Katz & Weatherley (2012), EPSLRBS11 Rudge, Bercovici & Spiegelman (2011), GJI

Diffusion coefficients of Mg isotopes in enstatite and forsterite melts calculated by first-principles molecular dynamic simulations

NASA Astrophysics Data System (ADS)

Huang, F.; Qi, Y.; Liu, X.; He, L.

2016-12-01

Stable isotopes can be fractionated by kinetic chemical diffusion because diffusion coefficients (D) of isotopes are mass-dependent. Diffusive isotopic fractionation recorded in rocks and minerals provide unique temporal constrains on geological processes. The mass dependence of D can be described in the form of Di/Dj= (mj/mi)β, where m denotes masses of isotope i and j, and β is an emperical parameter used to quantify the diffusive transport of isotopes [1]. β values can be estimated by experimental calibration and observation of natural samples, which are still rarely reported because it is challenging to precisely quantify the boundary conditions of diffusion processes [2,3,4]. Recent advances in computation technique provide a new way to theoretically calculate β values. For instance, classical molecular dynamics with empirical potential have been used to simulate interactions between atoms and estimate β of Mg isotopes in MgSiO3 melt [3]. Here, to further consider the effect of bonding and electron properties on β values, we apply first-principles Born-Oppenheimer Molecular Dynamics and pseudo-isotope methods (assuming mj/mi = 1/24, 1/4, 2, and 5) to estimate β for MgSiO3 and Mg2SiO4 melts. Our calculation shows that β of Mg isotopes with pseudo-mass ratios are consistent, indicating the reliability of the pseudo-isotope method. For MgSiO3 melt, β is 0.18 at 4000K and 0 GPa, higher than the value calculatedusing molecular dynamics simulations (0.135) [3]. For Mg2SiO4 melt at 0 GPa, β values are: 0.23 ± 0.04 at 2300K, 0.24 ± 0.07 at 3000K, and 0.24 ± 0.01 at 4000K. Notably, β of MgSiO3 and Mg2SiO4 melts are significantly higher than the value determined by diffusion experiments (0.05) [2]. These results indicate that β values are not sensitive to temperature, but dependent on melt composition.

Why do gallium clusters have a higher melting point than the bulk?

PubMed

Chacko, S; Joshi, Kavita; Kanhere, D G; Blundell, S A

2004-04-02

Density functional molecular dynamical simulations have been performed on Ga17 and Ga13 clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Phys. Rev. Lett. 91, 215508 (2003)

Continuum model of tensile fracture of metal melts and its application to a problem of high-current electron irradiation of metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mayer, Alexander E., E-mail: mayer@csu.ru, E-mail: mayer.al.evg@gmail.com; Mayer, Polina N.

2015-07-21

A continuum model of the metal melt fracture is formulated on the basis of the continuum mechanics and theory of metastable liquid. A character of temperature and strain rate dependences of the tensile strength that is predicted by the continuum model is verified, and parameters of the model are fitted with the use of the results of the molecular dynamics simulations for ultra-high strain rates (≥1–10/ns). A comparison with experimental data from literature is also presented for Al and Ni melts. Using the continuum model, the dynamic tensile strength of initially uniform melts of Al, Cu, Ni, Fe, Ti, andmore » Pb within a wide range of strain rates (from 1–10/ms to 100/ns) and temperatures (from melting temperature up to 70–80% of critical temperature) is calculated. The model is applied to numerical investigation of a problem of the high-current electron irradiation of Al, Cu, and Fe targets.« less

Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Mahata, Avik; Asle Zaeem, Mohsen; Baskes, Michael I.

2018-02-01

Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics simulations utilizing the second nearest neighbor modified embedded atom method potentials. The natural spontaneous homogenous nucleation from the Al melt was produced without any influence of pressure, free surface effects and impurities. Initially isothermal crystal nucleation from undercooled melt was studied at different constant temperatures, and later superheated Al melt was quenched with different cooling rates. The crystal structure of nuclei, critical nucleus size, critical temperature for homogenous nucleation, induction time, and nucleation rate were determined. The quenching simulations clearly revealed three temperature regimes: sub-critical nucleation, super-critical nucleation, and solid-state grain growth regimes. The main crystalline phase was identified as face-centered cubic, but a hexagonal close-packed (hcp) and an amorphous solid phase were also detected. The hcp phase was created due to the formation of stacking faults during solidification of Al melt. By slowing down the cooling rate, the volume fraction of hcp and amorphous phases decreased. After the box was completely solid, grain growth was simulated and the grain growth exponent was determined for different annealing temperatures.

Monitoring Physicochemical and Nutrient Dynamics Along a Development Gradient in Maine Ephemeral Wetlands

NASA Astrophysics Data System (ADS)

Podzikowski, L. Y.; Capps, K. A.; Calhoun, A.

2014-12-01

Vernal pools are ephemeral wetlands in forested landscapes that fill with snowmelt, precipitation, and/or groundwater in the spring, and characteristically dry down through the summer months. Typically, vernal pool research has focused on the population and community ecology of pool-breeding organisms (amphibians and macroinvertebrates) conducted during their relatively short breeding season. Yet, little is known about the temporal variability of biogeochemical processes within and among vernal pools in urbanizing landscapes. In this study, we monitored physicochemical characteristics and nutrient dynamics in 22 vernal pools in central Maine post thaw in 2014. Four pristine pools were sampled weekly in five locations within the pool for ambient nutrient concentrations (SRP, NH4, NOx) and at three locations for physicochemical characteristics (DO, pH, temperature, conductivity). In the remaining 18 pools, we sampled one location for nutrients and three locations for physicochemical characteristics at least monthly to estimate the influence of increasing urbanization on the physical and chemical environment. Our data suggest most pools found in urbanizing areas have higher conductivity (developed sites ranging 18.52 - 1238 μS cm-1 compared to pristine between 14.08 - 58.4 μS cm-1). Previous work suggests forested pools exhibit dystrophic conditions with high coloration from DOC limiting primary production due to increased light attenuation in pools. However, both pristine and urban pools experienced spikes in DO (>100% saturation) throughout the day, suggesting that high productivity is not a reliable indicator of the effects of urbanization on vernal pools. We argue that continued monitoring of vernal pools along a gradient of urbanization could give insight into the role of ephemeral wetlands as potential biogeochemical hotspots and may also indicate how human development may alter biogeochemical cycling in ephemeral wetlands.

Oman Drilling Project GT3 site survey: dynamics at the roof of an oceanic magma chamber

NASA Astrophysics Data System (ADS)

France, L.; Nicollet, C.; Debret, B.; Lombard, M.; Berthod, C.; Ildefonse, B.; Koepke, J.

2017-12-01

Oman Drilling Project (OmanDP) aims at bringing new constraints on oceanic crust accretion and evolution by drilling Holes in the whole ophiolite section (mantle and crust). Among those, operations at GT3 in the Sumail massif drilled 400 m to sample the dike - gabbro transition that corresponds to the top (gabbros) and roof (dikes) of the axial magma chamber, an interface where hydrothermal and magmatic system interacts. Previous studies based on oceanic crust formed at present day fast-spreading ridges and preserved in ophiolites have highlighted that this interface is a dynamic horizon where the axial melt lens that top the main magma chamber can intrude, reheat, and partially assimilate previously hydrothermally altered roof rocks. Here we present the preliminary results obtained in GT3 area that have allowed the community to choose the drilling site. We provide a geological and structural map of the area, together with new petrographic and chemical constraints on the dynamics of the dike - gabbro transition. Our new results allow us to quantify the dynamic processes, and to propose that 1/ the intrusive contact of the varitextured gabbro within the dikes highlights the intrusion of the melt lens top in the dike rooting zone, 2/ both dikes and previously crystallized gabbros are reheated, and recrystallized by underlying melt lens dynamics (up to 1050°C, largely above the hydrous solidus temperature of altered dikes and gabbros), 3/ the reheating range can be > 200°C, 4/ the melt lens depth variations for a given ridge position is > 200m, 5/ the reheating stage and associated recrystallization within the dikes occurred under hydrous conditions, 6/ the reheating stage is recorded at the root zone of the sheeted dike complex by one of the highest stable conductive thermal gradient ever recorded on Earth ( 3°C/m), 7/ local chemical variations in recrystallized dikes and gabbros are highlighted and used to quantify crystallization and anatectic processes, and the presence of trapped melt, 8/ melt lens cannibalism is attested by numerous assimilation figures close its roof. Besides providing a general context for future studies at OmanDP GT3 site, those new results allow us to quantify the dynamic processes that govern the layer 2 - layer 3 transition in ocean lithosphere.

Integrating Thermodynamic Models in Geodynamic Simulations: The Example of the Community Software ASPECT

NASA Astrophysics Data System (ADS)

Dannberg, J.; Heister, T.; Grove, R. R.; Gassmoeller, R.; Spiegelman, M. W.; Bangerth, W.

2017-12-01

Earth's surface shows many features whose genesis can only be understood through the interplay of geodynamic and thermodynamic models. This is particularly important in the context of melt generation and transport: Mantle convection determines the distribution of temperature and chemical composition, the melting process itself is then controlled by the thermodynamic relations and in turn influences the properties and the transport of melt. Here, we present our extension of the community geodynamics code ASPECT, which solves the equations of coupled magma/mantle dynamics, and allows to integrate different parametrizations of reactions and phase transitions: They may alternatively be implemented as simple analytical expressions, look-up tables, or computed by a thermodynamics software. As ASPECT uses a variety of numerical methods and solvers, this also gives us the opportunity to compare different approaches of modelling the melting process. In particular, we will elaborate on the spatial and temporal resolution that is required to accurately model phase transitions, and show the potential of adaptive mesh refinement when applied to melt generation and transport. We will assess the advantages and disadvantages of iterating between fluid dynamics and chemical reactions derived from thermodynamic models within each time step, or decoupling them, allowing for different time step sizes. Beyond that, we will expand on the functionality required for an interface between computational thermodynamics and fluid dynamics models from the geodynamics side. Finally, using a simple example of melting of a two-phase, two-component system, we compare different time-stepping and solver schemes in terms of accuracy and efficiency, in dependence of the time scales of fluid flow and chemical reactions relative to each other. Our software provides a framework to integrate thermodynamic models in high resolution, 3d simulations of coupled magma/mantle dynamics, and can be used as a tool to study links between physical processes and geochemical signals in the Earth.

Melting and solidification behavior of Cu/Al and Ti/Al bimetallic core/shell nanoparticles during additive manufacturing by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Rahmani, Farzin; Jeon, Jungmin; Jiang, Shan; Nouranian, Sasan

2018-05-01

Molecular dynamics (MD) simulations were performed to investigate the role of core volume fraction and number of fusing nanoparticles (NPs) on the melting and solidification of Cu/Al and Ti/Al bimetallic core/shell NPs during a superfast heating and slow cooling process, roughly mimicking the conditions of selective laser melting (SLM). One recent trend in the SLM process is the rapid prototyping of nanoscopically heterogeneous alloys, wherein the precious core metal maintains its particulate nature in the final manufactured part. With this potential application in focus, the current work reveals the fundamental role of the interface in the two-stage melting of the core/shell alloy NPs. For a two-NP system, the melting zone gets broader as the core volume fraction increases. This effect is more pronounced for the Ti/Al system than the Cu/Al system because of a larger difference between the melting temperatures of the shell and core metals in the former than the latter. In a larger six-NP system (more nanoscopically heterogeneous), the melting and solidification temperatures of the shell Al roughly coincide, irrespective of the heating or cooling rate, implying that in the SLM process, the part manufacturing time can be reduced due to solidification taking place at higher temperatures. The nanostructure evolution during the cooling of six-NP systems is further investigated. [Figure not available: see fulltext.

Viscous constitutive relations of solid-liquid composites in terms of grain boundary contiguity: 1. Grain boundary diffusion control model

NASA Astrophysics Data System (ADS)

Takei, Yasuko; Holtzman, Benjamin K.

2009-06-01

Viscous constitutive relations of partially molten rocks deforming in the regime of grain boundary (GB) diffusion creep are derived theoretically on the basis of microstructural processes at the grain scale. The viscous constitutive relation developed in this study is based on contiguity as an internal state variable, which enables us to take into account the detailed effects of grain-scale melt distribution observed in experiments. Compared to the elasticities derived previously for the same microstructural model, the viscosities are much more sensitive to the presence of melt and variations in contiguity. As explored in this series of three companion papers, this "contiguity" model predicts that a very small amount of melt (ϕ < 0.01) significantly reduces the bulk and shear viscosities. Furthermore, a large anisotropy in viscosity is produced by anisotropy in contiguity, which occurs in deforming partially molten rocks. These results have important implications for deformation and melt extraction at small melt fractions, as well as for shear-induced melt segregation. The viscous and elastic constitutive relations derived in terms of contiguity bridge microscopic grain-scale and macroscopic continuum properties. These constitutive relations are essential for investigating melt migration dynamics in a forward sense on the basis of the basic equations of two-phase dynamics and in an inverse sense on the basis of seismological observations.

Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ge, Ting; Kalathi, Jagannathan T.; Halverson, Jonathan D.

The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast tomore » the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.« less

Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

DOE PAGES

Ge, Ting; Kalathi, Jagannathan T.; Halverson, Jonathan D.; ...

2017-02-13

The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast tomore » the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.« less

The melting points of MgO up to 4 TPa predicted based on ab initio thermodynamic integration molecular dynamics

NASA Astrophysics Data System (ADS)

Taniuchi, Takashi; Tsuchiya, Taku

2018-03-01

The melting curve of MgO is extended up to 4 TPa, corresponding to the Jovian core pressure, based on the one-step thermodynamic integration method implemented on ab initio molecular dynamics. The calculated melting temperatures are 3100 and 16 000 K at 0 and 500 GPa, respectively, which are consistent with previous experimental results, and 20 600 K at 3900 GPa, which is inconsistent with a recent experimental extrapolation, which implies the molten Jovian core. A quite small Clapeyron slope (dT/dP ) of 0.0+/- 0.5 is found at 3900 GPa due to comparable densities of the liquid and B2 phases under extreme compression. The Mg-O coordination number in the liquid phase is saturated at around 7.5 above 1 TPa and remains smaller than that in the B2 phase (8) even at 4 TPa, suggesting no density crossover between liquid and crystal and thus no further denser crystalline phases. Dynamical properties (atomic diffusivity and viscosity) are also investigated along the melting curve to understand these behaviors in greater detail.

Frequency dispersion of sound propagation in Rouse polymer melts via generalized dynamic random phase approximation.

PubMed

Erukhimovich, I Ya; Kudryavtsev, Ya V

2003-08-01

An extended generalization of the dynamic random phase approximation (DRPA) for L-component polymer systems is presented. Unlike the original version of the DRPA, which relates the (LxL) matrices of the collective density-density time correlation functions and the corresponding susceptibilities of concentrated polymer systems to those of the tracer macromolecules and so-called broken-links system (BLS), our generalized DRPA solves this problem for the (5xL) x (5xL) matrices of the coupled susceptibilities and time correlation functions of the component number, kinetic energy and flux densities. The presented technique is used to study propagation of sound and dynamic form-factor in disentangled (Rouse) monodisperse homopolymer melt. The calculated ultrasonic velocity and absorption coefficient reveal substantial frequency dispersion. The relaxation time tau is proportional to the degree of polymerization N, which is N times less than the Rouse time and evidences strong dynamic screening because of interchain interaction. We discuss also some peculiarities of the Brillouin scattering in polymer melts. Besides, a new convenient expression for the dynamic structure function of the single Rouse chain in (q,p) representation is found.

Impact of solidification dynamics on crystal properties of silicon molten by a nanosecond laser pulse

NASA Astrophysics Data System (ADS)

Meyer, Fabian; Büchler, Andreas; Brand, Andreas A.; Dasa, Manoj K.; Nekarda, Jan F.; Preu, Ralf

2018-03-01

In this study, we use pump-probe microscopy to examine the melting and solidification dynamics of silicon during and after a UV laser pulse with a duration of 30 ns. Below the ablation threshold, we observe lateral melt front contraction velocities of up to 600 ms^{-1}. The peak velocities spatially coincide with a ring of lower crystallinity within the formerly molten area, as we show with spatially resolved Raman spectroscopy.

Heterogeneous to homogeneous melting transition visualized with ultrafast electron diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

The ultrafast laser excitation of matters leads to non-equilibrium states with complex solid-liquid phase transition dynamics. We used electron diffraction at mega-electronvolt energies to visualize the ultrafast melting of gold on the atomic scale length. For energy densities approaching the irreversible melting regime, we first observed heterogeneous melting on time scales of 100 ps to 1000 ps, transitioning to homogeneous melting that occurs catastrophically within 10-20 ps at higher energy densities. We showed evidence for the heterogeneous coexistence of solid and liquid. We determined the ion and electron temperature evolution and found superheated conditions. Our results constrain the electron-ion couplingmore » rate, determine the Debye temperature and reveal the melting sensitivity to nucleation seeds.« less

Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation of solidification of pure metal.

PubMed

Shibuta, Yasushi; Sakane, Shinji; Miyoshi, Eisuke; Okita, Shin; Takaki, Tomohiro; Ohno, Munekazu

2017-04-05

Can completely homogeneous nucleation occur? Large scale molecular dynamics simulations performed on a graphics-processing-unit rich supercomputer can shed light on this long-standing issue. Here, a billion-atom molecular dynamics simulation of homogeneous nucleation from an undercooled iron melt reveals that some satellite-like small grains surrounding previously formed large grains exist in the middle of the nucleation process, which are not distributed uniformly. At the same time, grains with a twin boundary are formed by heterogeneous nucleation from the surface of the previously formed grains. The local heterogeneity in the distribution of grains is caused by the local accumulation of the icosahedral structure in the undercooled melt near the previously formed grains. This insight is mainly attributable to the multi-graphics processing unit parallel computation combined with the rapid progress in high-performance computational environments.Nucleation is a fundamental physical process, however it is a long-standing issue whether completely homogeneous nucleation can occur. Here the authors reveal, via a billion-atom molecular dynamics simulation, that local heterogeneity exists during homogeneous nucleation in an undercooled iron melt.

First-principles investigations of equilibrium Ca, Mg, Si and O isotope fractionations between silicate melts and minerals

NASA Astrophysics Data System (ADS)

Qi, Y.; Liu, X.; Kang, J.; He, L.

2017-12-01

Equilibrium isotope fractionation factors are essential for using stable isotope data to study many geosciences processes such as planetary differentiation and mantle evolution. The mass-dependent equilibrium isotope fractionation is primarily controlled by the difference in bond energies triggered by the isotope substitution. With the recent advances in computational capabilities, first-principles calculation has become a reliable tool to investigate equilibrium isotopic fractionations, greatly improving our understanding of the factors controlling isotope fractionations. It is important to understand the isotope fractionation between melts and minerals because magmatism is critical for creating and shaping the Earth. However, because isotope fractionation between melts and minerals is small at high temperature, it is difficult to experimentally calibrate such small signature. Due to the disordered and dynamic character of melts, calculations of equilibrium isotope fractionation of melts are more challenging than that for gaseous molecules or minerals. Here, we apply first-principles molecular dynamics method to calculate equilibrium Ca, Mg, Si, and O isotope fractionations between silicate melts and minerals. Our results show that equilibrium Mg, Si, and O isotope fractionations between olivine and pure Mg2SiO4 melt are close to zero at high temperature (e.g. δ26Mgmelt-ol = 0.03 ± 0.04‰, δ30Simelt-ol = -0.06 ± 0.07‰, δ18Omelt-ol = 0.07‰ ± 0.08 at 1500 K). Equilibrium Ca, Mg, Si, and O isotope fractionations between diopside and basalt melt (67% CaMgSi2O6 + 33% CaAl2Si2O8) are also negligible at high temperature (e.g. δ44/40Camelt-cpx = -0.01 ± 0.02‰, δ26Mgmelt-cpx = -0.05 ± 0.14‰, δ30Simelt-cpx = 0.04 ± 0.04‰, δ18Omelt-cpx = 0.03 ± 0.07‰ at 1500 K). These results are consistent with the observations in natural samples that there is no significant Ca, Mg, Si, and O isotope fractionation during mantle partial melting, demonstrating the reliability of our methods. Thus, our results can be used to understand stable isotope fractionation during partial melting of mantle peridotite or fractional crystallization during magmatic differentiation. The first-principles molecular dynamics method is a promising tool to obtain equilibrium fractionation of more isotope systems for complicate liquids.

Numerical and Analytical Modeling of Laser Deposition with Preheating (Preprint)

DTIC Science & Technology

2007-03-01

temperature materials, Numerical Heat Transfer 11 (1987) 477-491. [9] L. Han, F.W. Liou, K.M. Phatk, Modeling of laser cladding with powder injection... cladding process. This laser additive manufacturing technique allows quick fabrication of fully-dense metallic components directly from Computer...1, laser deposition uses a focused laser beam as a heat source to create a melt pool on an underlying substrate. Powder material is then injected

Dataset demonstrating effects of momentum transfer on sizing of current collector for lithium-ion batteries during laser cutting.

PubMed

Lee, Dongkyoung; Mazumder, Jyotirmoy

2018-04-01

Material properties of copper and aluminum required for the numerical simulation are presented. Electrodes used for the (paper) are depicted. This study describes the procedures of how penetration depth, width, and absorptivity are obtained from the simulation. In addition, a file format extracted from the simulation to visualize 3D distribution of temperature, velocity, and melt pool geometry is presented.

Microstructure Evolution of TiC Particles In Situ, Synthesized by Laser Cladding

PubMed Central

Liu, Yanhui; Ding, Jieqiong; Qu, Weicheng; Su, Yu; Yu, Zhishui

2017-01-01

In this paper, a TiC reinforcement metal matrix composite coating is produced using nickel and graphite mixing powder on the surface ofTi-6Al-4V alloy by laser radiation. The microstructure of the coatings is investigated by XRD, SEM and EDS. Results show that most of the TiC phase is granular, with a size of several micrometers, and a few of the TiC phases are petals or flakes. At the cross-section of the coatings, a few special TiC patterns are found and these TiC patterns do not always occur at the observed cross-section. The even distribution of the TiC phase in the coatings confirms that the convection of the laser-melted pool leads to the homogenization of titanium atoms from the molten substrate, and carbon atoms from the preplace powder layer, by the mass transfer. The characteristics of the TiC pattern confirm that the morphology and distribution of the primary TiC phase could be influenced by convection. Two main reasons for this are that the density of the TiC phase is lower than the liquid melt, and that the primary TiC phase precipitates from the pool with a high convection speed at high temperature. PMID:28772641

Microstructure Evolution of TiC Particles In Situ, Synthesized by Laser Cladding.

PubMed

Liu, Yanhui; Ding, Jieqiong; Qu, Weicheng; Su, Yu; Yu, Zhishui

2017-03-11

In this paper, a TiC reinforcement metal matrix composite coating is produced using nickel and graphite mixing powder on the surface ofTi-6Al-4V alloy by laser radiation. The microstructure of the coatings is investigated by XRD, SEM and EDS. Results show that most of the TiC phase is granular, with a size of several micrometers, and a few of the TiC phases are petals or flakes. At the cross-section of the coatings, a few special TiC patterns are found and these TiC patterns do not always occur at the observed cross-section. The even distribution of the TiC phase in the coatings confirms that the convection of the laser-melted pool leads to the homogenization of titanium atoms from the molten substrate, and carbon atoms from the preplace powder layer, by the mass transfer. The characteristics of the TiC pattern confirm that the morphology and distribution of the primary TiC phase could be influenced by convection. Two main reasons for this are that the density of the TiC phase is lower than the liquid melt, and that the primary TiC phase precipitates from the pool with a high convection speed at high temperature.

Scoping studies of vapor behavior during a severe accident in a metal-fueling reactor

NASA Astrophysics Data System (ADS)

Spencer, B. W.; Marchaterre, J. F.

1985-04-01

The consequences of fuel melting and pin failures for a reactivity-insertion type accident in a sodium-cooled, pool-type reactor fueled with a metal alloy fuel were examined. The principal gas and vapor species released are shown to be Xe, Cs, and bond sodium contained within the fuel porosity. Condensation of sodium vapor as it expands into the upper sodium pool in a jet mixing regime may occur as rapidly as the vapor emerges from the disrupted core. If the predictions of rapid direct-contact condensation can be verified experimentally for the sodium system, the ability of vapor expansion to perform appreciable work on the system and the ability of an expanding vapor bubble to transport fuel and fission produce species to the cover gas region where they may be released to the containment are largely eliminated. The radionuclide species except for fission gas are largely retained within the core and sodium pool.

Experimental evidence supports mantle partial melting in the asthenosphere.

PubMed

Chantel, Julien; Manthilake, Geeth; Andrault, Denis; Novella, Davide; Yu, Tony; Wang, Yanbin

2016-05-01

The low-velocity zone (LVZ) is a persistent seismic feature in a broad range of geological contexts. It coincides in depth with the asthenosphere, a mantle region of lowered viscosity that may be essential to enabling plate motions. The LVZ has been proposed to originate from either partial melting or a change in the rheological properties of solid mantle minerals. The two scenarios imply drastically distinct physical and geochemical states, leading to fundamentally different conclusions on the dynamics of plate tectonics. We report in situ ultrasonic velocity measurements on a series of partially molten samples, composed of mixtures of olivine plus 0.1 to 4.0 volume % of basalt, under conditions relevant to the LVZ. Our measurements provide direct compressional (V P) and shear (V S) wave velocities and constrain attenuation as a function of melt fraction. Mantle partial melting appears to be a viable origin for the LVZ, for melt fractions as low as ~0.2%. In contrast, the presence of volatile elements appears necessary to explaining the extremely high V P/V S values observed in some local areas. The presence of melt in LVZ could play a major role in the dynamics of plate tectonics, favoring the decoupling of the plate relative to the asthenosphere.

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

NASA Astrophysics Data System (ADS)

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.

A benchmark initiative on mantle convection with melting and melt segregation

NASA Astrophysics Data System (ADS)

Schmeling, Harro; Dannberg, Juliane; Dohmen, Janik; Kalousova, Klara; Maurice, Maxim; Noack, Lena; Plesa, Ana; Soucek, Ondrej; Spiegelman, Marc; Thieulot, Cedric; Tosi, Nicola; Wallner, Herbert

2016-04-01

In recent years a number of mantle convection models have been developed which include partial melting within the asthenosphere, estimation of melt volumes, as well as melt extraction with and without redistribution at the surface or within the lithosphere. All these approaches use various simplifying modelling assumptions whose effects on the dynamics of convection including the feedback on melting have not been explored in sufficient detail. To better assess the significance of such assumptions and to provide test cases for the modelling community we carry out a benchmark comparison. The reference model is taken from the mantle convection benchmark, cases 1a to 1c (Blankenbach et al., 1989), assuming a square box with free slip boundary conditions, the Boussinesq approximation, constant viscosity and Rayleigh numbers of 104 to 10^6. Melting is modelled using a simplified binary solid solution with linearly depth dependent solidus and liquidus temperatures, as well as a solidus temperature depending linearly on depletion. Starting from a plume free initial temperature condition (to avoid melting at the onset time) five cases are investigated: Case 1 includes melting, but without thermal or dynamic feedback on the convection flow. This case provides a total melt generation rate (qm) in a steady state. Case 2 is identical to case 1 except that latent heat is switched on. Case 3 includes batch melting, melt buoyancy (melt Rayleigh number Rm) and depletion buoyancy, but no melt percolation. Output quantities are the Nusselt number (Nu), root mean square velocity (vrms), the maximum and the total melt volume and qm approaching a statistical steady state. Case 4 includes two-phase flow, i.e. melt percolation, assuming a constant shear and bulk viscosity of the matrix and various melt retention numbers (Rt). These cases are carried out using the Compaction Boussinseq Approximation (Schmeling, 2000) or the full compaction formulation. For cases 1 - 3 very good agreement is achieved among the various participating codes. For case 4 melting/freezing formulations require some attention to avoid sub-solidus melt fractions. A case 5 is planned where all melt will be extracted and, reinserted in a shallow region above the melted plume. The motivation of this presentation is to summarize first experiences and to finalize the case definitions. References: Blankenbach, B., Busse, F., Christensen, U., Cserepes, L. Gunkel, D., Hansen, U., Harder, H. Jarvis, G., Koch, M., Marquart, G., Moore D., Olson, P., and Schmeling, H., 1989: A benchmark comparison for mantle convection codes, J. Geophys., 98, 23-38. Schmeling, H., 2000: Partial melting and melt segregation in a convecting mantle. In: Physics and Chemistry of Partially Molten Rocks, eds. N. Bagdassarov, D. Laporte, and A.B. Thompson, Kluwer Academic Publ., Dordrecht, pp. 141 - 178.

Car-Parrinello molecular dynamics study of the melting behaviors of n-atom (n = 6, 10) graphene quantum dots

NASA Astrophysics Data System (ADS)

Shekaari, Ashkan; Abolhassani, Mohammad Reza

2017-06-01

First-principles molecular dynamics has been applied to inquire into the melting behaviors of n-atom (n = 6, 10) graphene quantum dots (GQD6 and zigzag GQD10) within the temperature range of T = 0-500 K. The temperature dependence of the geometry of each quantum dot is thoroughly evaluated via calculating the related shape deformation parameters and the eigenvalues of the quadrupole tensors. Examining the variations of some phase-transition indicators such as root-mean-square bond length fluctuations and mean square displacements broadly proposes the value of Tm = 70 K for the melting point of GQD6 while a continuous, two-stage phase transition has been concluded for zigzag GQD10.

Scrap melting model for steel converter founded on interfacial solid/liquid phenomena

NASA Astrophysics Data System (ADS)

Kruskopf, Ari; Holappa, Lauri

2017-12-01

The primary goal in steel converter operation is the removal of carbon from the hot metal. This is achieved by blowing oxygen into the melt. The oxidation of carbon produces a lot of heat. To avoid too high temperatures in the melt cold scrap (recycled steel) is charged into the converter. The melting rate is affected by heat and carbon mass transfer. A process model for steel converter is in development. This model is divided into several modules, which are fluid dynamics, heat- and mass-transfer, scrap melting and chemical reactions. This article focuses on the development of the scrap melting module. A numerical model for calculating temperature and carbon concentration in the melt is presented. The melt model is connected with the solid scrap model via solid/liquid interface. The interface model can take into account solidification of iron melt, melting of solidified layer, a situation without such phase changes, and scrap melting. The aim is to predict the melting rate of the scrap including the properties of the hot metal. The model is tested by calculating the melting rates for different scrap thicknesses. All of the stages in the interface model were taking place in the test calculations.

Under-ice melt ponds and the oceanic mixed layer

NASA Astrophysics Data System (ADS)

Flocco, D.; Smith, N.; Feltham, D. L.

2017-12-01

Under-ice melt ponds are pools of freshwater beneath the Arctic sea ice that form when melt from the surface of the sea ice percolates down through the porous sea ice. Through double diffusion, a sheet of ice can form at the interface between the ocean and the under-ice melt pond, completely isolating the pond from the mixed layer below and forming a false bottom to the sea ice. As such, they insulate the sea ice from the ocean below. It has been estimated that these ponds could cover between 5 and 40 % of the base of the Arctic sea ice, and so could have a notable impact on the mass balance of the sea ice. We have developed a one-dimensional model to calculate the thickness and thermodynamic properties of a slab of sea ice, an under-ice melt pond, and a false bottom, as these layers evolve. Through carrying out sensitivity studies, we have identified a number of interesting ways that under-ice melt ponds affect the ice above them and the rate of basal ablation. We found that they result in thicker sea ice above them, due to their insulation of the ice, and have found a possible positive feedback cycle in which less ice will be gained due to under-ice melt ponds as the Arctic becomes warmer. More recently, we have coupled this model to a simple Kraus-Turner type model of the oceanic mixed layer to investigate how these ponds affect the ocean water beneath them. Through altering basal ablation rates and ice thickness, they change the fresh water and salt fluxes into the mixed layer, as well as incoming radiation. Multi-year simulations have, in particular, shown how these effects work on longer time-scales.

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

USGS Publications Warehouse

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.

Quasi-equilibrium melting of quartzite upon extreme friction

NASA Astrophysics Data System (ADS)

Lee, Sung Keun; Han, Raehee; Kim, Eun Jeong; Jeong, Gi Young; Khim, Hoon; Hirose, Takehiro

2017-06-01

The friction on fault planes that controls how rocks slide during earthquakes decreases significantly as a result of complex fault-lubrication processes involving frictional melting. Fault friction has been characterized in terms of the preferential melting of minerals with low melting points--so-called disequilibrium melting. Quartz, which has a high melting temperature of about 1,726 °C and is a major component of crustal rocks, is not expected to melt often during seismic slip. Here we use high-velocity friction experiments on quartzite to show that quartz can melt at temperatures of 1,350 to 1,500 °C. This implies that quartz within a fault plane undergoing rapid friction sliding could melt at substantially lower temperatures than expected. We suggest that depression of the melting temperature is caused by the preferential melting of ultra-fine particles and metastable melting of β-quartz at about 1,400 °C during extreme frictional slip. The results for quartzite are applicable to complex rocks because of the observed prevalence of dynamic grain fragmentation, the preferential melting of smaller grains and the kinetic preference of β-quartz formation during frictional sliding. We postulate that frictional melting of quartz on a fault plane at temperatures substantially below the melting temperature could facilitate slip-weakening and lead to large earthquakes.

Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.

For nanosecond electrical explosion of fine metal wires in vacuum generates calibrated, radially expanded gas cylinders of metal atoms are surrounded by low-density fast expanding plasma corona. Here, a novel integrated-phase technique, based on laser interferometry, provides the dynamic dipole polarizability of metal atoms. This data was previously unavailable for tungsten atoms. Furthermore, an extremely high melting temperature and significant pre-melt electronic emission make these measurements particularly complicated for this refractory metal.

Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum

DOE PAGES

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.

2016-10-12

For nanosecond electrical explosion of fine metal wires in vacuum generates calibrated, radially expanded gas cylinders of metal atoms are surrounded by low-density fast expanding plasma corona. Here, a novel integrated-phase technique, based on laser interferometry, provides the dynamic dipole polarizability of metal atoms. This data was previously unavailable for tungsten atoms. Furthermore, an extremely high melting temperature and significant pre-melt electronic emission make these measurements particularly complicated for this refractory metal.

Melt Segregation and Tidal Heating at Io

NASA Astrophysics Data System (ADS)

Rajendar, A.; Dufek, J.; Roberts, J. H.; Paty, C. S.

2011-12-01

Recent evidence of melt beneath Io's surface (Khurana et al., 2010) and repeated observation of volcanic activity and features consistent with volcanic activity at the surface (e.g. Veeder et al, 1994; Rathbun et al., 2004; Lopes-Gautier et al., 1999; Smith et al., 1979) has raised further questions about the structure of the Galilean moon and the processes that shape it. In this study we examine the thermal state, melt fraction, and multiphase dynamics of melt segregation within Io's interior. Using a coupled multiphase dynamics and tidal heating model we explore the location, spatial extent, and temporal residence times of melt in Io's subsurface, as well as response to orbital parameters. In a thermally evolving body subject to tidal forcing, in which melt production and migration takes place, feedback can occur with respect to the physical and thermal properties. We explore this feedback to produce a thermal model of Io, taking into account the rate of tidal heating and fluid motion within the interior. First, a layered model of the internal structure is assumed. The equations of motion for forced oscillations in a layered spherical body are then solved using the propagator matrix method (Sabadini and Vermeesen, 2004) to obtain the displacements and strains due to tidal motion (Roberts and Nimmo, 2008). From this, the radial distribution of tidal heat generation within Io is calculated. This radial heating profile is then used as input for a multi-phase fluid model in order to obtain an estimate of the radial temperature distribution and thus the material properties and melt fractions. In the multiphase model individual phases (melt and solid residue) separately conserve mass, momentum and enthalpy (Dufek and Bachmann, 2010) allowing us to explore melt segregation phenomena. Enthalpy closure is provided by the MELTS (Ghiorso and Sack, 1995) thermodynamics algorithm, which is called at each point in space. This accounts for the partitioning between latent and sensible heat, and updates the physical properties of the melt and solid phase such as density and heat capacity. With this approach we explore the sensitivity of melt generation and the time between melt production and eruption (the residence time) to mantle chemistry and the layered structure of the moon.

Biogeochemistry of a treeline watershed, northwestern Alaska

USGS Publications Warehouse

Stottlemyer, R.

2001-01-01

Since 1950, mean annual temperatures in northwestern Alaska have increased. Change in forest floor and soil temperature or moisture could alter N mineralization rates, production of dissolved organic carbon (DOC) and organic nitrogen (DON), and their export to the aquatic ecosystem. In 1990, we began study of nutrient cycles in the 800-ha Asik watershed, located at treeline in the Noatak National Preserve, northwestern Alaska. This paper summarizes relationships between topographic aspect, soil temperature and moisture, inorganic and organic N pools, C pools, CO2 efflux, growing season net N mineralization rates, and stream water chemistry. Forest floor (O2) C/N ratios, C pools, temperature, and moisture were greater on south aspects. More rapid melt of the soil active layer (zone of annual freeze-thaw) and permafrost accounted for the higher moisture. The O2 C and N content were correlated with moisture, inorganic N pools, CO2 efflux, and inversely with temperature. Inorganic N pools were correlated with temperature and CO2 efflux. Net N mineralization rates were positive in early summer, and correlated with O2 moisture, temperature, and C and N pools. Net nitrification rates were inversely correlated with moisture, total C and N. The CO2 efflux increased with temperature and moisture, and was greater on south aspects. Stream ion concentrations declined and DOC increased with discharge. Stream inorganic nitrogen (DIN) output exceeded input by 70%. Alpine stream water nitrate (NO-3) and DOC concentrations indicated substantial contributions to the watershed DIN and DOC budgets.

Biogeochemistry of a treeline watershed, northwestern Alaska.

PubMed

Stottlemyer, R

2001-01-01

Since 1950, mean annual temperatures in northwestern Alaska have increased. Change in forest floor and soil temperature or moisture could alter N mineralization rates, production of dissolved organic carbon (DOC) and organic nitrogen (DON), and their export to the aquatic ecosystem. In 1990, we began study of nutrient cycles in the 800-ha Asik watershed, located at treeline in the Noatak National Preserve, northwestern Alaska. This paper summarizes relationships between topographic aspect, soil temperature and moisture, inorganic and organic N pools, C pools, CO2 efflux, growing season net N mineralization rates, and stream water chemistry. Forest floor (O2) C/N ratios, C pools, temperature, and moisture were greater on south aspects. More rapid melt of the soil active layer (zone of annual freeze-thaw) and permafrost accounted for the higher moisture. The O2 C and N content were correlated with moisture, inorganic N pools, CO2 efflux, and inversely with temperature. Inorganic N pools were correlated with temperature and CO2 efflux. Net N mineralization rates were positive in early summer, and correlated with O2 moisture, temperature, and C and N pools. Net nitrification rates were inversely correlated with moisture, total C and N. The CO2 efflux increased with temperature and moisture, and was greater on south aspects. Stream ion concentrations declined and DOC increased with discharge. Stream inorganic nitrogen (DIN) output exceeded input by 70%. Alpine stream water nitrate (NO3-) and DOC concentrations indicated substantial contributions to the watershed DIN and DOC budgets.

Natural Gas Evolution in a Gas Hydrate Melt: Effect of Thermodynamic Hydrate Inhibitors.

PubMed

Sujith, K S; Ramachandran, C N

2017-01-12

Natural gas extraction from gas hydrate sediments by injection of hydrate inhibitors involves the decomposition of hydrates. The evolution of dissolved gas from the hydrate melt is an important step in the extraction process. Using classical molecular dynamics simulations, we study the evolution of dissolved methane from its hydrate melt in the presence of two thermodynamic hydrate inhibitors, NaCl and CH 3 OH. An increase in the concentration of hydrate inhibitors is found to promote the nucleation of methane nanobubbles in the hydrate melt. Whereas NaCl promotes bubble formation by enhancing the hydrophobic interaction between aqueous CH 4 molecules, CH 3 OH molecules assist bubble formation by stabilizing CH 4 bubble nuclei formed in the solution. The CH 3 OH molecules accumulate around the nuclei leading to a decrease in the surface tension at their interface with water. The nanobubbles formed are found to be highly dynamic with frequent exchange of CH 4 molecules between the bubble and the surrounding liquid. A quantitative analysis of the dynamic behavior of the bubble is performed by introducing a unit step function whose value depends on the location of CH 4 molecules with respect to the bubble. It is observed that an increase in the concentration of thermodynamic hydrate inhibitors reduces the exchange process, making the bubble less dynamic. It is also found that for a given concentration of the inhibitor, larger bubbles are less dynamic compared to smaller ones. The dependence of the dynamic nature of nanobubbles on bubble size and inhibitor concentration is correlated with the solubility of CH 4 and the Laplace pressure within the bubble. The effect of CO 2 on the formation of nanobubble in the CH 4 -CO 2 mixed gas hydrate melt in the presence of inhibitors is also examined. The simulations show that the presence of CO 2 molecules significantly reduces the induction time for methane nanobubble nucleation. The role of CO 2 in the early nucleation of bubble is explained based on the interaction between the bubble and the dissolved CO 2 molecules.

The role of small-scale convection on the formation of volcanic passive margins

NASA Astrophysics Data System (ADS)

Van Hunen, J.; Phethean, J. J. J.

2014-12-01

Several models have been presented in the literature to explain volcanic passive margins (VPMs), including variation in rifting speed or history, enhanced melting from mantle plumes, and enhanced flow through the melting zone by small-scale convection (SSC) driven by lithospheric detachments. Understanding the mechanism is important to constrain the paleo-heat flow and petroleum potential of VPM. Using 2D and 3D numerical models, we investigate the influence of SSC on the rate of crust production during continental rifting. Conceptually, SSC results in up/downwellings with a typical spacing of a few-100 km, and may lead to enhanced decompression melting. Subsequent mantle depletion changes buoyancy (from latent heat consumption and compositional changes), and affects mantle dynamics under the MOR and potentially any further melting. Decompression melting leads to a colder, thermally denser residue (from consumption of latent heat of melting), but also a compositionally more buoyant one. A parameter sensitivity study of the effects of mantle viscosity, spreading rate, mantle temperature, and a range material parameters indicates that competition between thermal and compositional buoyancy determines the mantle dynamics. For mantle viscosities ηm > ~1022 Pa s, no SSC occurs, and a uniform 7-8 km-thick oceanic crust forms. For ηm < ~1021 Pa s, SSC is vigorous and can form VPMs with > 10-20 km crust. If thermal density effects dominate, a vigorous (inverted) convection may drive significant decompression melting, and create VPMs. Such dynamics could also explain the continent-dipping normal faults that are commonly observed at VPMs. After the initial rifting phase, the crustal thickness reduces significantly, but not always to a uniformly thick 7-8 km, as would be appropriate for mature oceanic basins. Transverse convection rolls may result in margin-parallel crustal thickness variation, possibly related to observations such as the East-Coast Magnetic Anomaly.

Integrated melt inclusion and crystal zoning study to track the timescales and pre-eruption dynamics of violent Strombolian eruptions at Llaima volcano, Chile

NASA Astrophysics Data System (ADS)

Ruth, D. C.; Costa Rodriguez, F.; Bouvet de Maisonneuve, C.; Calder, E. S.

2013-12-01

Melt inclusion compositions in crystals from many volcanic systems are notoriously variable and some times difficult to interpret. Their compositions can be a combination of rapid crystal growth, entrapment of local melt, and diffusive re-equilibration, among other processes. Additionally, chemical zoning in olivine records changing environmental conditions, most importantly temperature and magma composition. Many geochemical studies focus on either melt inclusion data or chemical zoning data to ascertain volcanic processes. Here we combine melt inclusion data with that of chemical zoning of the olivine host crystals from the 2008 violent Strombolian eruption of Llaima volcano, Chile, to obtain a more refined understanding of the processes related to crystal growth, melt inclusion formation, and magma dynamics. We investigated zoning characteristics in a suite of olivine crystals, created X-ray element maps (Al, Ca, Mg, P, Fe), and collected quantitative elemental abundances across chemical zones for detailed diffusion modeling. Melt inclusion compositions were collected via electron microprobe analysis and LA-ICPMS. We observe three types of zoning in the host olivine crystals: normal, reverse, and multiple zones with fluctuating Fo content. Reverse zoning was more common than the other types. Regardless of zoning character, multiple melt inclusions are present within a given olivine, often found near the crystal rim. For some of these melt inclusions, the olivine surrounding the melt inclusion was also zoned, often to a similar composition as the olivine rim. This implies that these inclusions remained connected with interstitial matrix melt until melt inclusion closure. These ';open' melt inclusions exhibited slightly different major (higher SiO2, Na2O+K2O, TiO2) and trace elements (positive Eu and Sr anomalies) compared to melt inclusions in the same olivine that were not surrounded by compositional zoning. Quantitative elemental profiles produce modeled timescales on the order of 10s-100s days prior to eruption. Zoning textures, melt inclusion compositions, and timescale modeling indicates that crystal dissolution (open melt inclusions), mafic magma injection (reverse zoning), and partial melting of upper crustal plagioclase-rich cumulates (positive Eu and Sr anomalies) were occurring in the months prior to the 2008 eruption. The combination of both melt inclusion data and textural data of the host crystals provides deeper insight into the nature and timing of deep and shallow reservoir processes that generate violent Strombolian eruptions at Llaima.

High-pressure melting of MgSiO3.

PubMed

Belonoshko, A B; Skorodumova, N V; Rosengren, A; Ahuja, R; Johansson, B; Burakovsky, L; Preston, D L

2005-05-20

The melting curve of MgSiO(3) perovskite has been determined by means of ab initio molecular dynamics complemented by effective pair potentials, and a new phenomenological model of melting. Using first principles ground state calculations, we find that the MgSiO(3) perovskite phase transforms into post perovskite at pressures above 100 GPa, in agreement with recent theoretical and experimental studies. We find that the melting curve of MgSiO(3), being very steep at pressures below 60 GPa, rapidly flattens on increasing pressure. The experimental controversy on the melting of the MgSiO(3) perovskite at high pressures is resolved, confirming the data by Zerr and Boehler.

The Vaguries of Pyroxene Nucleation and the Resulting Chondrule Textures

NASA Technical Reports Server (NTRS)

Lofgren, G. E.; Le, L.

2004-01-01

Pyroxene is a major phase in chondrules, but often follows olivine in the crystallization sequence and depending on the melting temperature and time may not nucleate readily upon cooling. Dynamic crystallization experiments based on total or near total melting were used to study PO (porphyritic olivine) and PP (Porphyritic pyroxene) compositions as defined by. The experiments showed that pyroxene nucleated only at subliquidus temperatures in the PP melts and rarely in the PO melts. Porphyritic chondrules with phenocrysts of both olivine and pyroxene (POP chondrules) were not easily produced in the experiments. POP chondrules are common and it is important for deciphering their formation that we understand pyroxene nucleation properties of chondrule melts.

A massively parallel adaptive scheme for melt migration in geodynamics computations

NASA Astrophysics Data System (ADS)

Dannberg, Juliane; Heister, Timo; Grove, Ryan

2016-04-01

Melt generation and migration are important processes for the evolution of the Earth's interior and impact the global convection of the mantle. While they have been the subject of numerous investigations, the typical time and length-scales of melt transport are vastly different from global mantle convection, which determines where melt is generated. This makes it difficult to study mantle convection and melt migration in a unified framework. In addition, modelling magma dynamics poses the challenge of highly non-linear and spatially variable material properties, in particular the viscosity. We describe our extension of the community mantle convection code ASPECT that adds equations describing the behaviour of silicate melt percolating through and interacting with a viscously deforming host rock. We use the original compressible formulation of the McKenzie equations, augmented by an equation for the conservation of energy. This approach includes both melt migration and melt generation with the accompanying latent heat effects, and it incorporates the individual compressibilities of the solid and the fluid phase. For this, we derive an accurate and stable Finite Element scheme that can be combined with adaptive mesh refinement. This is particularly advantageous for this type of problem, as the resolution can be increased in mesh cells where melt is present and viscosity gradients are high, whereas a lower resolution is sufficient in regions without melt. Together with a high-performance, massively parallel implementation, this allows for high resolution, 3d, compressible, global mantle convection simulations coupled with melt migration. Furthermore, scalable iterative linear solvers are required to solve the large linear systems arising from the discretized system. Finally, we present benchmarks and scaling tests of our solver up to tens of thousands of cores, show the effectiveness of adaptive mesh refinement when applied to melt migration and compare the compressible and incompressible formulation. We then apply our software to large-scale 3d simulations of melting and melt transport in mantle plumes interacting with the lithosphere. Our model of magma dynamics provides a framework for modelling processes on different scales and investigating links between processes occurring in the deep mantle and melt generation and migration. The presented implementation is available online under an Open Source license together with an extensive documentation.

Temperature dependent micro-rheology of a glass-forming polymer melt studied by molecular dynamics simulation.

PubMed

Kuhnhold, A; Paul, W

2014-09-28

We present a Molecular Dynamics simulation study of a micro-rheological probing of the glass transition in a polymer melt. Our model system consists of short bead-spring chains and the temperature ranges from well above the glass transition temperature to about 10% above it. The nano-particle clearly couples to the slowing down of the polymer segments and the calculated storage and loss moduli reveal the approach to the glass transition. At temperatures close to the mode coupling Tc of the polymer melt, the micro-rheological moduli measure the local viscoelastic response of the cage of monomers surrounding the nano-particle and no longer reveal the true melt moduli. The incoherent scattering function of the nano-particle exhibits a stretched exponential decay, typical for the α-process in glass forming systems. We find no indication of a strong superdiffusive regime as has been deduced from a recent experiment in the same temperature range but for smaller momentum transfers.

Variable Basal Melt Rates of Antarctic Peninsula Ice Shelves, 1994-2016

NASA Astrophysics Data System (ADS)

Adusumilli, Susheel; Fricker, Helen Amanda; Siegfried, Matthew R.; Padman, Laurie; Paolo, Fernando S.; Ligtenberg, Stefan R. M.

2018-05-01

We have constructed 23-year (1994-2016) time series of Antarctic Peninsula (AP) ice-shelf height change using data from four satellite radar altimeters (ERS-1, ERS-2, Envisat, and CryoSat-2). Combining these time series with output from atmospheric and firn models, we partitioned the total height-change signal into contributions from varying surface mass balance, firn state, ice dynamics, and basal mass balance. On the Bellingshausen coast of the AP, ice shelves lost 84 ± 34 Gt a-1 to basal melting, compared to contributions of 50 ± 7 Gt a-1 from surface mass balance and ice dynamics. Net basal melting on the Weddell coast was 51 ± 71 Gt a-1. Recent changes in ice-shelf height include increases over major AP ice shelves driven by changes in firn state. Basal melt rates near Bawden Ice Rise, a major pinning point of Larsen C Ice Shelf, showed large increases, potentially leading to substantial loss of buttressing if sustained.

Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice

PubMed Central

Sánchez, M. Alejandra; Kling, Tanja; Ishiyama, Tatsuya; van Zadel, Marc-Jan; Mezger, Markus; Jochum, Mara N.; Cyran, Jenée D.; Smit, Wilbert J.; Bakker, Huib J.; Shultz, Mary Jane; Morita, Akihiro; Donadio, Davide; Nagata, Yuki; Bonn, Mischa; Backus, Ellen H. G.

2017-01-01

On the surface of water ice, a quasi-liquid layer (QLL) has been extensively reported at temperatures below its bulk melting point at 273 K. Approaching the bulk melting temperature from below, the thickness of the QLL is known to increase. To elucidate the precise temperature variation of the QLL, and its nature, we investigate the surface melting of hexagonal ice by combining noncontact, surface-specific vibrational sum frequency generation (SFG) spectroscopy and spectra calculated from molecular dynamics simulations. Using SFG, we probe the outermost water layers of distinct single crystalline ice faces at different temperatures. For the basal face, a stepwise, sudden weakening of the hydrogen-bonded structure of the outermost water layers occurs at 257 K. The spectral calculations from the molecular dynamics simulations reproduce the experimental findings; this allows us to interpret our experimental findings in terms of a stepwise change from one to two molten bilayers at the transition temperature. PMID:27956637

Phase diagram of Ag-Pd bimetallic nanoclusters by molecular dynamics simulations: solid-to-liquid transition and size-dependent behavior.

PubMed

Kim, Da Hye; Kim, Hyun You; Ryu, Ji Hoon; Lee, Hyuck Mo

2009-07-07

This report on the solid-to-liquid transition region of an Ag-Pd bimetallic nanocluster is based on a constant energy microcanonical ensemble molecular dynamics simulation combined with a collision method. By varying the size and composition of an Ag-Pd bimetallic cluster, we obtained a complete solid-solution type of binary phase diagram of the Ag-Pd system. Irrespective of the size and composition of the cluster, the melting temperature of Ag-Pd bimetallic clusters is lower than that of the bulk state and rises as the cluster size and the Pd composition increase. Additionally, the slope of the phase boundaries (even though not exactly linear) is lowered when the cluster size is reduced on account of the complex relations of the surface tension, the bulk melting temperature, and the heat of fusion. The melting of the cluster initially starts at the surface layer. The initiation and propagation of a five-fold icosahedron symmetry is related to the sequential melting of the cluster.

Femtosecond laser pulse driven melting in gold nanorod aqueous colloidal suspension: Identification of a transition from stretched to exponential kinetics

DOE PAGES

Li, Yuelin; Jiang, Zhang; Lin, Xiao -Min; ...

2015-01-30

Many potential industrial, medical, and environmental applications of metal nanorods rely on the physics and resultant kinetics and dynamics of the interaction of these particles with light. We report a surprising kinetics transition in the global melting of femtosecond laser-driven gold nanorod aqueous colloidal suspension. At low laser intensity, the melting exhibits a stretched exponential kinetics, which abruptly transforms into a compressed exponential kinetics when the laser intensity is raised. It is found the relative formation and reduction rate of intermediate shapes play a key role in the transition. Supported by both molecular dynamics simulations and a kinetic model, themore » behavior is traced back to the persistent heterogeneous nature of the shape dependence of the energy uptake, dissipation and melting of individual nanoparticles. These results could have significant implications for various applications such as water purification and electrolytes for energy storage that involve heat transport between metal nanorod ensembles and surrounding solvents.« less

The Hugoniot adiabat of crystalline copper based on molecular dynamics simulation and semiempirical equation of state

NASA Astrophysics Data System (ADS)

Gubin, S. A.; Maklashova, I. V.; Mel'nikov, I. N.

2018-01-01

The molecular dynamics (MD) method was used for prediction of properties of copper under shock-wave compression and clarification of the melting region of crystal copper. The embedded atom potential was used for the interatomic interaction. Parameters of Hugonoit adiabats of solid and liquid phases of copper calculated by the semiempirical Grüneisen equation of state are consistent with the results of MD simulations and experimental data. MD simulation allows to visualize the structure of cooper on the atomistic level. The analysis of the radial distribution function and the standard deviation by MD modeling allows to predict the melting area behind the shock wave front. These MD simulation data are required to verify the wide-range equation of state of metals. The melting parameters of copper based on MD simulations and semiempirical equations of state are consistent with experimental and theoretical data, including the region of the melting point of copper.

The coupled response to slope-dependent basal melting

NASA Astrophysics Data System (ADS)

Little, C. M.; Goldberg, D. N.; Sergienko, O. V.; Gnanadesikan, A.

2009-12-01

Ice shelf basal melting is likely to be strongly controlled by basal slope. If ice shelves steepen in response to intensified melting, it suggests instability in the coupled ice-ocean system. The dynamic response of ice shelves governs what stable morphologies are possible, and thus the influence of melting on buttressing and grounding line migration. Simulations performed using a 3-D ocean model indicate that a simple form of slope-dependent melting is robust under more complex oceanographic conditions. Here we utilize this parameterization to investigate the shape and grounding line evolution of ice shelves, using a shallow-shelf approximation-based model that includes lateral drag. The distribution of melting substantially affects the shape and aspect ratio of unbuttressed ice shelves. Slope-dependent melting thins the ice shelf near the grounding line, reducing velocities throughout the shelf. Sharp ice thickness gradients evolve at high melting rates, yet grounding lines remain static. In foredeepened, buttressed ice shelves, changes in grounding line flux allow two additional options: stable or unstable retreat. Under some conditions, slope-dependent melting results in stable configurations even at high melt rates.

Heterogeneity of soil carbon pools and fluxes in a channelized and a restored floodplain section (Thur River, Switzerland)

NASA Astrophysics Data System (ADS)

Samaritani, E.; Shrestha, J.; Fournier, B.; Frossard, E.; Gillet, F.; Guenat, C.; Niklaus, P. A.; Pasquale, N.; Tockner, K.; Mitchell, E. A. D.; Luster, J.

2011-06-01

Due to their spatial complexity and dynamic nature, floodplains provide a wide range of ecosystem functions. However, because of flow regulation, many riverine floodplains have lost their characteristic heterogeneity. Restoration of floodplain habitats and the rehabilitation of key ecosystem functions, many of them linked to organic carbon (C) dynamics in riparian soils, has therefore become a major goal of environmental policy. The fundamental understanding of the factors that drive the processes involved in C cycling in heterogeneous and dynamic systems such as floodplains is however only fragmentary. We quantified soil organic C pools (microbial C and water extractable organic C) and fluxes (soil respiration and net methane production) in functional process zones of adjacent channelized and widened sections of the Thur River, NE Switzerland, on a seasonal basis. The objective was to assess how spatial heterogeneity and temporal variability of these pools and fluxes relate to physicochemical soil properties on one hand, and to soil environmental conditions and flood disturbance on the other hand. Overall, factors related to seasonality and flooding (temperature, water content, organic matter input) affected soil C dynamics more than soil properties did. Coarse-textured soils on gravel bars in the restored section were characterized by low base-levels of organic C pools due to low TOC contents. However, frequent disturbance by flood pulses led to high heterogeneity with temporarily and locally increased C pools and soil respiration. By contrast, in stable riparian forests, the finer texture of the soils and corresponding higher TOC contents and water retention capacity led to high base-levels of C pools. Spatial heterogeneity was low, but major floods and seasonal differences in temperature had additional impacts on both pools and fluxes. Soil properties and base levels of C pools in the dam foreland of the channelized section were similar to the gravel bars of the restored section. By contrast, spatial heterogeneity, seasonal effects and flood disturbance were similar to the forests, except for indications of high CH4 production that are explained by long travel times of infiltrating water favoring reducing conditions. Overall, the restored section exhibited both a larger range and a higher heterogeneity of organic C pools and fluxes as well as a higher plant biodiversity than the channelized section. This suggests that restoration has indeed led to an increase in functional diversity.

Heterogeneity of soil carbon pools and fluxes in a channelized and a restored floodplain section (Thur River, Switzerland)

NASA Astrophysics Data System (ADS)

Samaritani, E.; Shrestha, J.; Fournier, B.; Frossard, E.; Gillet, F.; Guenat, C.; Niklaus, P. A.; Tockner, K.; Mitchell, E. A. D.; Luster, J.

2011-01-01

Due to their spatial complexity and dynamic nature, floodplains provide a wide range of ecosystem functions. However, because of flow regulation, many riverine floodplains have lost their characteristic heterogeneity. Restoration of floodplain habitats and the rehabilitation of key ecosystem functions has therefore become a major goal of environmental policy. Many important ecosystem functions are linked to organic carbon (C) dynamics in riparian soils. The fundamental understanding of the factors that drive the processes involved in C cycling in heterogeneous and dynamic systems such as floodplains is however only fragmentary. We quantified soil organic C pools (microbial C and water extractable organic C) and fluxes (soil respiration and net methane production) in functional process zones of adjacent channelized and widened sections of the Thur River, NE Switzerland, on a seasonal basis. The objective was to assess how spatial heterogeneity and temporal variability of these pools and fluxes relate to physicochemical soil properties on one hand, and to soil environmental conditions and flood disturbance on the other hand. Overall, factors related to seasonality and flooding (temperature, water content, organic matter input) affected soil C dynamics more than soil properties did. Coarse-textured soils on gravel bars in the restored section were characterized by low base-levels of organic C pools due to low TOC contents. However, frequent disturbance by flood pulses led to high heterogeneity with temporarily and locally increased pools and soil respiration. By contrast, in stable riparian forests, the finer texture of the soils and corresponding higher TOC contents and water retention capacity led to high base-levels of C pools. Spatial heterogeneity was low, but major floods and seasonal differences in temperature had additional impacts on both pools and fluxes. Soil properties and base levels of C pools in the dam foreland of the channelized section were similar to the gravel bars of the restored section. By contrast, spatial heterogeneity, seasonal effects and flood disturbance were similar to the forests, except for indications of high CH4 production that are explained by long travel times of infiltrating water favouring reducing conditions. Overall, the restored section exhibited both a larger range and a higher heterogeneity of organic C pools and fluxes as well as a higher plant biodiversity than the channelized section. This suggests that restoration has indeed led to an increase in functional diversity.

Multiscale modeling and simulation for polymer melt flows between parallel plates

NASA Astrophysics Data System (ADS)

Yasuda, Shugo; Yamamoto, Ryoichi

2010-03-01

The flow behaviors of polymer melt composed of short chains with ten beads between parallel plates are simulated by using a hybrid method of molecular dynamics and computational fluid dynamics. Three problems are solved: creep motion under a constant shear stress and its recovery motion after removing the stress, pressure-driven flows, and the flows in rapidly oscillating plates. In the creep/recovery problem, the delayed elastic deformation in the creep motion and evident elastic behavior in the recovery motion are demonstrated. The velocity profiles of the melt in pressure-driven flows are quite different from those of Newtonian fluid due to shear thinning. Velocity gradients of the melt become steeper near the plates and flatter at the middle between the plates as the pressure gradient increases and the temperature decreases. In the rapidly oscillating plates, the viscous boundary layer of the melt is much thinner than that of Newtonian fluid due to the shear thinning of the melt. Three different rheological regimes, i.e., the viscous fluid, viscoelastic liquid, and viscoelastic solid regimes, form over the oscillating plate according to the local Deborah numbers. The melt behaves as a viscous fluid in a region for ωτR≲1 , and the crossover between the liquidlike and solidlike regime takes place around ωτα≃1 (where ω is the angular frequency of the plate and τR and τα are Rouse and α relaxation time, respectively).

Multiscale modeling and simulation for polymer melt flows between parallel plates.

PubMed

Yasuda, Shugo; Yamamoto, Ryoichi

2010-03-01

The flow behaviors of polymer melt composed of short chains with ten beads between parallel plates are simulated by using a hybrid method of molecular dynamics and computational fluid dynamics. Three problems are solved: creep motion under a constant shear stress and its recovery motion after removing the stress, pressure-driven flows, and the flows in rapidly oscillating plates. In the creep/recovery problem, the delayed elastic deformation in the creep motion and evident elastic behavior in the recovery motion are demonstrated. The velocity profiles of the melt in pressure-driven flows are quite different from those of Newtonian fluid due to shear thinning. Velocity gradients of the melt become steeper near the plates and flatter at the middle between the plates as the pressure gradient increases and the temperature decreases. In the rapidly oscillating plates, the viscous boundary layer of the melt is much thinner than that of Newtonian fluid due to the shear thinning of the melt. Three different rheological regimes, i.e., the viscous fluid, viscoelastic liquid, and viscoelastic solid regimes, form over the oscillating plate according to the local Deborah numbers. The melt behaves as a viscous fluid in a region for omegatauR < approximately 1 , and the crossover between the liquidlike and solidlike regime takes place around omegataualpha approximately equal 1 (where omega is the angular frequency of the plate and tauR and taualpha are Rouse and alpha relaxation time, respectively).

Diffusion of Small Sticky Nanoparticles in a Polymer Melt: A Dynamic Light Scattering Study

NASA Astrophysics Data System (ADS)

Carroll, Bobby; Bocharova, Vera; Cheng, Shiwang; Yamamoto, Umi; Kisliuk, Alex; Schweizer, Ken; Sokolov, Alexei

The study of dynamics in complex fluids such as polymers has gained a broad interest in advanced materials and biomedical applications. Of particular interest is the motion of nanoparticles in these systems, which influences the mechanical and structural properties of composite materials, properties of colloidal systems, and biochemical processes in biological systems. Theoretical work predicts a violation of Stokes-Einstein (SE) relationship for diffusion of small nanoparticles in strongly-entangled polymer melt systems, with diffusion of nanoparticles much faster than expected DSE. It is attributed to differences between local and macroscopic viscosity. In this study, the diffusion of nanoparticles in polymer melts below and above entanglement molecular weight is measured using dynamic light scattering. The measured results are compared with simulations that provide quantitative predictions for SE violations. Our results are two-fold: (1) diffusion at lower molecular weights is slower than expected DSE due to chain absorption; and (2) diffusion becomes much (20 times) faster than DSE, at higher entanglements due to a reduced local viscosity.

Enhancing the Motor Skills of Children with Autism Spectrum Disorders: A Pool-Based Approach

ERIC Educational Resources Information Center

Lee, Jihyun; Porretta, David L.

2013-01-01

Children with autism spectrum disorders (ASDs) often experience difficulties with motor skill learning and performance. The pool is a unique learning environment that can help children with ASDs learn or improve aquatic skills, fitness, and social skills. A pool-based approach is also aligned with the elements of dynamic systems theory, which…

Formation of melt channels on ice shelves

NASA Astrophysics Data System (ADS)

Sergienko, Olga

2013-04-01

Melt channels have been observed on ice shelves experiencing strong melting in both Greenland (Petermann Glacier) and Antarctica (Pine Island Glacier). Using a fully-couple ice-shelf/sub-ice-shelf-ocean flow model, it is demonstrated that these channels can form spontaneously in laterally confined ice shelves. These channels have transverse extent of a few kilometers and a vertical relief of about a few hundred meters. Meltrates and sea-water transport in the channels are significantly higher than in between the channels on the smooth flat ice bottom. In circumstances where an ice shelf has no-slip conditions at its lateral boundaries, the ice-shelf/sub-ice-shelf-cavity system exhibits equilibrium periodic states, where the same configurations repetitively appear with a periodicity of about 30-35 years. This peculiar dynamics of the system has strong implications on the interpretation of the remote and in-situ observations and inferences of the system parameters (e.g., melt rates) based on these observations. For instance, the persistent temporal changes in the ice-shelf thickness are caused by internal dynamics of the melt channels, and, in contrast to traditional interpretation, can be independent of the oceanic forcings.

The melting point of lithium: an orbital-free first-principles molecular dynamics study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Mohan; Hung, Linda; Huang, Chen

2013-08-25

The melting point of liquid lithium near zero pressure is studied with large-scale orbital-free first-principles molecular dynamics (OF-FPMD) in the isobaric-isothermal ensemble. Here, we adopt the Wang-Govind-Carter (WGC) functional as our kinetic energy density functional (KEDF) and construct a bulk-derived local pseudopotential (BLPS) for Li. Our simulations employ both the ‘heat-until-melts’ method and the coexistence method. We predict 465 K as an upper bound of the melting point of Li from the ‘heat-until-melts’ method, while we predict 434 K as the melting point of Li from the coexistence method. These values compare well with an experimental melting point of 453more » K at zero pressure. Furthermore, we calculate a few important properties of liquid Li including the diffusion coefficients, pair distribution functions, static structure factors, and compressibilities of Li at 470 K and 725 K in the canonical ensemble. This theoretically-obtained results show good agreement with known experimental results, suggesting that OF-FPMD using a non-local KEDF and a BLPS is capable of accurately describing liquid metals.« less

A 6 year longitudinal study of post-fire woody carbon dynamics in California's forests

Treesearch

Bianca N.I. Eskelson; Vicente J. Monleon; Jeremy S. Fried

2016-01-01

We examined the dynamics of aboveground forest woody carbon pools — live trees, standing dead trees, and down wood—during the first 6 years following wildfire across a wide range of conditions, which are characteristic of California forest fires. From repeated measurements of the same plots, we estimated change in woody carbon pools as a function of crown fire severity...

Local ice melting by an antifreeze protein.

PubMed

Calvaresi, Matteo; Höfinger, Siegfried; Zerbetto, Francesco

2012-07-09

Antifreeze proteins, AFP, impede freezing of bodily fluids and damaging of cellular tissues by low temperatures. Adsorption-inhibition mechanisms have been developed to explain their functioning. Using in silico Molecular Dynamics, we show that type I AFP can also induce melting of the local ice surface. Simulations of antifreeze-positive and antifreeze-negative mutants show a clear correlation between melting induction and antifreeze activity. The presence of local melting adds a function to type I AFPs that is unique to these proteins. It may also explain some apparently conflicting experimental results where binding to ice appears both quasipermanent and reversible.

Molecular-dynamics study of solid-liquid interface migration in fcc metals

NASA Astrophysics Data System (ADS)

Mendelev, M. I.; Rahman, M. J.; Hoyt, J. J.; Asta, M.

2010-10-01

In order to establish a link between various structural and kinetic properties of metals and the crystal-melt interfacial mobility, free-solidification molecular-dynamics simulations have been performed for a total of nine embedded atom method interatomic potentials describing pure Al, Cu and Ni. To fully explore the space of materials properties three new potentials have been developed. The new potentials are based on a previous description of Al, but in each case the liquid structure, the melting point and/or the latent heat are varied considerably. The kinetic coefficient, μ, for all systems has been compared with several theoretical predictions. It is found that at temperatures close to the melting point the magnitude of μ correlates well with the value of the diffusion coefficient in the liquid.

Dynamics in entangled polyethylene melts [Multi time scale dynamics in entangled polyethylene melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salerno, K. Michael; Agrawal, Anupriya; Peters, Brandon L.

Polymer dynamics creates distinctive viscoelastic behavior as a result of a coupled interplay of motion at the atomic length scale and motion of the entire macromolecule. Capturing the broad time and length scales of polymeric motion however, remains a challenge. Using linear polyethylene as a model system, we probe the effects of the degree of coarse graining on polymer dynamics. Coarse-grained (CG) potentials are derived using iterative Boltzmann inversion with λ methylene groups per CG bead (denoted CGλ) with λ = 2,3,4 and 6 from a fully-atomistic polyethylene melt simulation. By rescaling time in the CG models by a factormore » α, the chain mobility for the atomistic and CG models match. We show that independent of the degree of coarse graining, all measured static and dynamic properties are essentially the same once the dynamic scaling factor α and a non-crossing constraint for the CG6 model are included. The speedup of the CG4 model is about 3 times that of the CG3 model and is comparable to that of the CG6 model. Furthermore, using these CG models we were able to reach times of over 500 μs, allowing us to measure a number of quantities, including the stress relaxation function, plateau modulus and shear viscosity, and compare directly to experiment.« less

Dynamics in entangled polyethylene melts [Multi time scale dynamics in entangled polyethylene melts

DOE PAGES

Salerno, K. Michael; Agrawal, Anupriya; Peters, Brandon L.; ...

2016-10-10

Polymer dynamics creates distinctive viscoelastic behavior as a result of a coupled interplay of motion at the atomic length scale and motion of the entire macromolecule. Capturing the broad time and length scales of polymeric motion however, remains a challenge. Using linear polyethylene as a model system, we probe the effects of the degree of coarse graining on polymer dynamics. Coarse-grained (CG) potentials are derived using iterative Boltzmann inversion with λ methylene groups per CG bead (denoted CGλ) with λ = 2,3,4 and 6 from a fully-atomistic polyethylene melt simulation. By rescaling time in the CG models by a factormore » α, the chain mobility for the atomistic and CG models match. We show that independent of the degree of coarse graining, all measured static and dynamic properties are essentially the same once the dynamic scaling factor α and a non-crossing constraint for the CG6 model are included. The speedup of the CG4 model is about 3 times that of the CG3 model and is comparable to that of the CG6 model. Furthermore, using these CG models we were able to reach times of over 500 μs, allowing us to measure a number of quantities, including the stress relaxation function, plateau modulus and shear viscosity, and compare directly to experiment.« less

Dynamics in entangled polyethylene melts using coarse-grained models

NASA Astrophysics Data System (ADS)

Peters, Brandon L.; Grest, Gary S.; Salerno, K. Michael; Agrawal, Anupriya; Perahia, Dvora

Polymer dynamics creates distinctive viscoelastic behavior as a result of a coupled interplay of motion on multiple length scales. Capturing the broad time and length scales of polymeric motion however, remains a challenge. Using polyethylene (PE) as a model system, we probe the effects of the degree of coarse graining on polymer dynamics. Coarse-grained (CG) potentials are derived using iterative Boltzmann inversion (iBi) with 2-6 methyl groups per CG bead from all fully atomistic melt simulations for short chains. While the iBi methods produces non-bonded potentials which give excellent agreement for the atomistic and CG pair correlation functions, the pressure P = 100-500MPa for the CG model. Correcting for potential so P 0 leads to non-bonded models with slightly smaller effective diameter and much deeper minimum. However, both the pressure and non-pressure corrected CG models give similar results for mean squared displacement (MSD) and the stress auto correlation function G(t) for PE melts above the melting point. The time rescaling factor between CG and atomistic models is found to be nearly the same for both CG models. Transferability of potential for different temperatures was tested by comparing the MSD and G(t) for potentials generated at different temperatures.

Modelling deformation of partially melted rock using a poroviscoelastic rheology with dynamic power law viscosity

NASA Astrophysics Data System (ADS)

Simakin, A.; Ghassemi, A.

2005-03-01

A poroviscoelastic constitutive model is developed and used to study coupled rock deformation and fluid flow. The model allows the relaxation of both shear and symmetric components of the effective stress. Experimental results are usually interpreted in terms of the power law viscous material. However, in this work the effect of strain damage on viscosity is considered by treating the viscosity as a dynamic time-dependent parameter that varies proportionally to the second invariant of the strain rate. Healing is also taken into account so that the dynamic power law viscosity has a constant asymptotic at a given strain rate. The theoretical model is implemented in a finite element (FE) formulation that couples fluid flow and mechanical equilibrium equations. The FE method is applied to numerically study the triaxial compression of partially melted rocks at elevated PT conditions. It is found that the numerically calculated stress-strain curves demonstrate maxima similar to those observed in laboratory experiments. Also, the computed pattern of melt redistribution and strain localization at the contact between the rock sample and a stiff spacer is qualitatively similar to the experimental observations. The results also indicate that the matrix sensitivity to damage affects the scale of strain localization and melt redistribution.

Effect of Feed Composition on Cold-Cap Formation in Laboratory-Scale Melter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dixon, Derek R.; Schweiger, Michael J.; Lee, Seung Min

The development of advanced glass formulations are a part of the plan for reducing the cost and time for treatment and vitrification of the 210,000 m3 of nuclear waste at the Hanford Site in southeastern Washington State. One property of interest in this development is melt viscosity, which has a decisive influence on the rate of glass production. In an electric melter, the conversion process from feed-to-glass above the melt pool occurs in the cold cap. At the final stage of conversion when the glass-forming melt becomes connected, gas evolving reactions cause foaming. The melt viscosity affects foam stability. Threemore » glasses were formulated with viscosities of 1.5, 3.5, and 9.5 Pa s at 1150°C by varying the SiO2 content at the expense of B2O3, Li2O, and Na2O kept at constant proportions. Cold caps were produced by charging simulated high-alumina, high-level waste feeds in a laboratory-scale melter (LSM). The spread of the feed on the cold cap during charging and the cross-sectional structure of the final cold caps were compared. The amount of the foam and the size of the bubbles increased as the viscosity increased.« less

Structure of Multi-component Basaltic Glasses under Static and Dynamic Compression: Implications for Mantle Melting and Impact Processes on Planetary Surfaces

NASA Astrophysics Data System (ADS)

Lee, S.; Mosenfelder, J. L.; Tschauner, O. D.; Asimow, P. D.; Park, S.; Kim, H.

2012-12-01

The structures of basaltic melts under both static and dynamic compression are essential to understand the changes in the corresponding melt properties and to provide atomistic insights into impact-induced events in Earth's crust and planetary surfaces. Despite the importance, structural changes in basaltic glasses due both to dynamic and static compression have not been well understood. The advances in multi-nuclear NMR and multi-edge inelastic x-ray scattering allow us to obtain details of the pressure-induced changes in the degree of melt polymerization and cation coordination number in multi-component melts under static and dynamic compression (e.g. Lee, Proc. Nat. Aca. Sci. 2011, 108, 6847; Sol. St. NMR. 2010, 38, 45; Lee et al. Geophys. Res. Letts. 39 5306; Proc. Nat. Aca. Sci. 2008, 105, 7925). Here, we explore the structures of shock compressed silicate glass with a diopside-anorthite eutectic composition (Di64An36), a common Fe-free model basaltic composition, using oxygen K-edge X-ray Raman scattering and high- resolution Al-27 solid-state NMR spectroscopy and report details of shock-induced changes in the atomic configurations. A topologically driven densification of the Di64An36 glass is indicated by the increase in oxygen K-edge energy for the glass upon shock compression with peak pressure up to 20 GPa. The first experimental evidence of the increase in the fraction of highly coordinated Al in shock compressed glass is found in the Al-27 NMR spectra. This result provides atomistic insights into shock compression in basaltic glasses and allows us to microscopically constrain the magnitude of impact events or relevant processes involving natural basalts on Earth and planetary surfaces. We also report the first high pressure multi-nuclear NMR spectrum for basaltic glass up to 5 GPa. While [4]Al species is dominant at 1atm, the significant fraction of [5,6]Al in the glass is apparent, leading to changes in oxygen connectivity in the multi-component. The prevalence of highly coordinated Al and high energy oxygen cluster in the basaltic melts at 5 GPa implies that thermodynamic properties (e.g. element portioning coefficient between melts and crystal) of primary mantle melts formed at mid-ocean ridge (~150 km in depth) should be largely different from what can be predicted for silicate melts at 1 atm. The structural transitions in model basaltic glass at high pressure provide atomistic origins of anomalous mantle composition based on MORB at 1atm that is different from the prediction from chondritic meteorite (e.g. missing Si content in the primitive mantle).

Development of the laboratory prototype "CavyPool" for assessing treatments and materials for swimming pools.

PubMed

Valeriani, F; Gianfranceschi, G; Vitali, M; Protano, C; Romano Spica, V

2017-01-01

Hygiene and surveillance in swimming pools are established by WHO Guidelines and national laws. Progress in water management and pool construction is revolutionizing the field, introducing new materials, systems, disinfection procedures or monitoring markers. Innovation advances challenge the upgrading of safety and quality in pools and the appropriate implementation of guidelines. In order to provide a device for laboratory test, a prototype was realized and applied to study and compare swimming pool materials and treatments. A pool scale-model was engineered and evaluated by computational fluid dynamics algorithms. An automated real time monitoring assured steady state. Critical control points along the water circuit were made accessible to allow the placing of different biocides or water sampling. Simulations were safely performed in a standard hood. Materials for pool surfaces and pipelines were evaluated for biofilm formation under different disinfection conditions. Adherent microorganisms were assayed by mfDNA analysis using real time PCR. The prototype reached the steady state within 5-25 hours under different conditions, showing chemical, physical and fluid-dynamic stability. A method was optimized for testing materials showing their different response to biofilm induction. Several innovative PVC samples displayed highest resistance to bacterial adhesion. A device and method was developed for testing swimming pool hygienic parameters in laboratory. It allowed to test materials for pools hygiene and maintenance, including biofilm formation. It can be applied to simulate contaminations under different water treatments or disinfection strategies. It may support technical decisions and help policymakers in acquiring evidences for comparing or validating innovative solutions.

Mechanisms of convective cloud organization by cold pools over tropical warm ocean during the AMIE/DYNAMO field campaign

DOE PAGES

Feng, Zhe; Hagos, Samson; Rowe, Angela K.; ...

2015-04-03

This paper investigates the mechanisms of convective cloud organization by precipitation-driven cold pools over the warm tropical Indian Ocean during the 2011 Atmospheric Radiation Measurement (ARM) Madden-Julian Oscillation (MJO) Investigation Experiment / Dynamics of the MJO (AMIE/DYNAMO) field campaign. A high-resolution regional model simulation is performed using the Weather Research and Forecasting model during the transition from suppressed to active phases of the November 2011 MJO. The simulated cold pool lifetimes, spatial extent and thermodynamic properties agree well with the radar and ship-borne observations from the field campaign. The thermodynamic and dynamic structures of the outflow boundaries of isolated andmore » intersecting cold pools in the simulation and the associated secondary cloud populations are examined. Intersecting cold pools last more than twice as long, are twice as large, 41% more intense (measured by buoyancy), and 62% deeper than isolated cold pools. Consequently, intersecting cold pools trigger 73% more convective clouds than isolated ones. This is possibly due to stronger outflows that enhance secondary updraft velocities by up to 45%. However, cold pool-triggered convective clouds grow into deep convection not because of the stronger secondary updrafts at cloud base, but rather due to closer spacing (aggregation) between clouds and larger cloud clusters that formed along the cold pool boundaries when they intersect. The close spacing of large clouds moistens the local environment and reduces entrainment drying, allowing the clouds to further develop into deep convection. Implications to the design of future convective parameterization with cold pool-modulated entrainment rates are discussed.« less

Melting and glass transition for Ni clusters.

PubMed

Teng, Yuyong; Zeng, Xianghua; Zhang, Haiyan; Sun, Deyan

2007-03-08

The melting of NiN clusters (N = 29, 50-150) has been investigated by using molecular dynamics (MD) simulations with a quantum corrected Sutton-Chen (Q-SC) many-body potential. Surface melting for Ni147, direct melting for Ni79, and the glass transition for Ni29 have been found, and those melting points are equal to 540, 680, and 940 K, respectively. It shows that the melting temperatures are not only size-dependent but also a symmetrical structure effect; in the neighborhood of the clusters, the cluster with higher symmetry has a higher melting point. From the reciprocal slopes of the caloric curves, the specific heats are obtained as 4.1 kB per atom for the liquid and 3.1 kB per atom for the solid; these values are not influenced by the cluster size apart in the transition region. The calculated results also show that latent heat of fusion is the dominant effect on the melting temperatures (Tm), and the relationship between S and L is given.

Microstructure and Mechanical Properties of Additively Manufactured Parts with Staircase Feature

NASA Astrophysics Data System (ADS)

Keya, Tahmina

This thesis focuses on a part with staircase feature that is made of Inconel 718 and fabricated by SLM process. The objective of the study was to observe build height effect on the microstructure and mechanical properties of the part. Due to the nature of SLM, there is possibility of different microstructure and mechanical properties in different locations depending on the design of the part. The objective was to compare microstructure and mechanical properties from different location and four comparison groups were considered: 1. Effect of thermal cycle; 2. External and internal surfaces; 3. Build height effect and 4. Bottom surfaces. To achieve the goals of this research, standard metallurgical procedure has been performed to prepare samples. Etching was done to reveal the microstructure of SLM processed Inconel 718 parts. Young's modulus and hardness were measured using nanoindentation technique. FEM analysis was performed to simulate nanoindentation. The conclusions drawn from this research are: 1. The microstructure of front and side surface of SLM processed Inconel 718 consists of arc shaped cut ends of melt pools with intermetallic phase at the border of the melt pool; 2. On top surface, melted tracks and scanning patterns can be observed and the average width of melted tracks is 100-150 microm; 3. The microstructure looks similar at different build height; 4. Microstructure on the top of a stair is more defined and organized than the internal surface; 5. The mechanical properties are highest at the bottom. OM images revealed slight difference in microstructure in terms of build height for this specific part, but mechanical properties seem to be vary noticeably. This is something to be kept in mind while designing or determining build orientation. External and internal surfaces of a stair at the same height showed difference in both microstructure and mechanical properties. To minimize that effect and to make it more uniform, gradual elevation can be considered when suitable as far as design modification is concerned. Above all, this study reveals important information about the pattern of microstructure, thus heat transfer mechanism inside a part which is useful to understand the SLM process.

Inference of chromosomal inversion dynamics from Pool-Seq data in natural and laboratory populations of Drosophila melanogaster.

PubMed

Kapun, Martin; van Schalkwyk, Hester; McAllister, Bryant; Flatt, Thomas; Schlötterer, Christian

2014-04-01

Sequencing of pools of individuals (Pool-Seq) represents a reliable and cost-effective approach for estimating genome-wide SNP and transposable element insertion frequencies. However, Pool-Seq does not provide direct information on haplotypes so that, for example, obtaining inversion frequencies has not been possible until now. Here, we have developed a new set of diagnostic marker SNPs for seven cosmopolitan inversions in Drosophila melanogaster that can be used to infer inversion frequencies from Pool-Seq data. We applied our novel marker set to Pool-Seq data from an experimental evolution study and from North American and Australian latitudinal clines. In the experimental evolution data, we find evidence that positive selection has driven the frequencies of In(3R)C and In(3R)Mo to increase over time. In the clinal data, we confirm the existence of frequency clines for In(2L)t, In(3L)P and In(3R)Payne in both North America and Australia and detect a previously unknown latitudinal cline for In(3R)Mo in North America. The inversion markers developed here provide a versatile and robust tool for characterizing inversion frequencies and their dynamics in Pool-Seq data from diverse D. melanogaster populations. © 2013 The Authors. Molecular Ecology Published by John Wiley & Sons Ltd.

Inference of chromosomal inversion dynamics from Pool-Seq data in natural and laboratory populations of Drosophila melanogaster

PubMed Central

Kapun, Martin; van Schalkwyk, Hester; McAllister, Bryant; Flatt, Thomas; Schlötterer, Christian

2014-01-01

Sequencing of pools of individuals (Pool-Seq) represents a reliable and cost-effective approach for estimating genome-wide SNP and transposable element insertion frequencies. However, Pool-Seq does not provide direct information on haplotypes so that, for example, obtaining inversion frequencies has not been possible until now. Here, we have developed a new set of diagnostic marker SNPs for seven cosmopolitan inversions in Drosophila melanogaster that can be used to infer inversion frequencies from Pool-Seq data. We applied our novel marker set to Pool-Seq data from an experimental evolution study and from North American and Australian latitudinal clines. In the experimental evolution data, we find evidence that positive selection has driven the frequencies of In(3R)C and In(3R)Mo to increase over time. In the clinal data, we confirm the existence of frequency clines for In(2L)t, In(3L)P and In(3R)Payne in both North America and Australia and detect a previously unknown latitudinal cline for In(3R)Mo in North America. The inversion markers developed here provide a versatile and robust tool for characterizing inversion frequencies and their dynamics in Pool-Seq data from diverse D. melanogaster populations. PMID:24372777

Formulation and Characterization of Solid Dispersion Prepared by Hot Melt Mixing: A Fast Screening Approach for Polymer Selection

PubMed Central

Enose, Arno A.; Dasan, Priya K.; Sivaramakrishnan, H.; Shah, Sanket M.

2014-01-01

Solid dispersion is molecular dispersion of drug in a polymer matrix which leads to improved solubility and hence better bioavailability. Solvent evaporation technique was employed to prepare films of different combinations of polymers, plasticizer, and a modal drug sulindac to narrow down on a few polymer-plasticizer-sulindac combinations. The sulindac-polymer-plasticizer combination that was stable with good film forming properties was processed by hot melt mixing, a technique close to hot melt extrusion, to predict its behavior in a hot melt extrusion process. Hot melt mixing is not a substitute to hot melt extrusion but is an aid in predicting the formation of molecularly dispersed form of a given set of drug-polymer-plasticizer combination in a hot melt extrusion process. The formulations were characterized by advanced techniques like optical microscopy, differential scanning calorimetry, hot stage microscopy, dynamic vapor sorption, and X-ray diffraction. Subsequently, the best drug-polymer-plasticizer combination obtained by hot melt mixing was subjected to hot melt extrusion process to validate the usefulness of hot melt mixing as a predictive tool in hot melt extrusion process. PMID:26556187

Insights into soil carbon dynamics across climatic gradients from carbon-pool specific radiocarbon analyses

NASA Astrophysics Data System (ADS)

van der Voort, Tessa Sophia; Hagedorn, Frank; McIntyre, Cameron; Zell, Claudia; Eglinton, Timothy Ian

2017-04-01

Soil carbon constitutes the largest terrestrial reservoir of organic carbon, and therefore understanding the mechanisms and drivers of carbon stabilization is crucial, especially in the framework of climate change. The understanding of the dependence of soil organic turnover in specific carbon pools as related to e.g. climate, soil texture and mineralogy is limited. In this framework, radiocarbon constitutes a uniquely powerful tool that help to unravel carbon dynamics from decadal to millennial timescales. This project combines bulk and pool-specific radiocarbon analyses in the top and deep soil on a wide range of forested soils that span a large climatic gradient (MAT 1.3-9.2°C, MAP 600 to 2100 mm m-2y-1). These well-studies sites are part of the Long-Term Forest Ecosystem Research (LWF) program of the Swiss Federal Institute for Forest, Snow and Landscape research (WSL). This study aims to combine the insights gained from bulk and pool-specific turnover to environmental conditions and molecular composition of soil carbon. The pools investigated span the mineral-associated (occluded and heavy fractions from density fractionation) and potentially water-soluble (free light fractions from density fractionation and water extractable organic carbon) organic carbon fractions. Pool-specific radiocarbon work is augmented by the measurement of abundance of compounds such as alkanes, fatty acids and lignin phenols on a subset of samples. Initial results show disparate patterns depending on soil type and in particular soil texture, which could be indicative of various stabilization mechanisms in different soils. Overall, this study provides new insights into the controls of soil organic matter dynamics as related to environmental conditions, in particular in specific sub-pools of carbon.

Voronoi analysis of the short–range atomic structure in iron and iron–carbon melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sobolev, Andrey; Mirzoev, Alexander

2015-08-17

In this work, we simulated the atomic structure of liquid iron and iron–carbon alloys by means of ab initio molecular dynamics. Voronoi analysis was used to highlight changes in the close environments of Fe atoms as carbon concentration in the melt increases. We have found, that even high concentrations of carbon do not affect short–range atomic order of iron atoms — it remains effectively the same as in pure iron melts.

On the Composition and Temperature of the Terrestrial Planetary Core

NASA Astrophysics Data System (ADS)

Fei, Yingwei

2013-06-01

The existence of liquid cores of terrestrial planets such as the Earth, Mar, and Mercury has been supported by various observation. The liquid state of the core provides a unique opportunity for us to estimate the temperature of the core if we know the melting temperature of the core materials at core pressure. Dynamic compression by shock wave, laser-heating in diamond-anvil cell, and resistance-heating in the multi-anvil device can melt core materials over a wide pressure range. There have been significant advances in both dynamic and static experimental techniques and characterization tool. In this tal, I will review some of the recent advances and results relevant to the composition and thermal state of the terrestrial core. I will also present new development to analyze the quenched samples recovered from laser-heating diamond-anvil cell experiments using combination of focused ion beam milling, high-resolution SEM imaging, and quantitative chemical analysi. With precision milling of the laser-heating spo, the melting point and element partitioning between solid and liquid can be precisely determined. It is also possible to re-construct 3D image of the laser-heating spot at multi-megabar pressures to better constrain melting point and understanding melting process. The new techniques allow us to extend precise measurements of melting relations to core pressures, providing better constraint on the temperature of the cor. The research is supported by NASA and NSF grants.

Deep and persistent melt layer in the Archaean mantle

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts

NASA Astrophysics Data System (ADS)

Schweizer, Kenneth S.; Saltzman, Erica J.

2004-07-01

A statistical mechanical theory of collective dynamic barriers, slow segmental relaxation, and the glass transition of polymer melts is developed by combining, and in some aspects extending, methods of mode coupling, density functional, and activated hopping transport theories. A coarse-grained description of polymer chains is adopted and the melt is treated as a liquid of segments. The theory is built on the idea that collective density fluctuations on length scales considerably longer than the local cage scale are of primary importance in the deeply supercooled regime. The barrier hopping or segmental relaxation time is predicted to be a function primarily of a single parameter that is chemical structure, temperature, and pressure dependent. This parameter depends on the material-specific dimensionless amplitude of thermal density fluctuations (compressibility) and a reduced segmental density determined by the packing length and backbone characteristic ratio. Analytic results are derived for a crossover temperature Tc, collective barrier, and glass transition temperature Tg. The relation of these quantities to structural and thermodynamic properties of the polymer melt is established. A universal power-law scaling behavior of the relaxation time below Tc is predicted based on identification of a reduced temperature variable that quantifies the breadth of the supercooled regime. Connections between the ratio Tc/Tg, two measures of dynamic fragility, and the magnitude of the local relaxation time at Tg logically follow. Excellent agreement with experiment is found for these generic aspects, and the crucial importance of the experimentally observed near universality of the dynamic crossover time is established. Extensions of the theory to treat the full chain dynamics, heterogeneity, barrier fluctuations, and nonpolymeric thermal glass forming liquids are briefly discussed.

In Situ Nanocalorimetric Investigations of Plasma Assisted Deposited Poly(ethylene oxide)-like Films by Specific Heat Spectroscopy.

PubMed

Madkou, Sherif; Melnichu, Iurii; Choukourov, Andrei; Krakovsky, Ivan; Biederman, Hynek; Schönhals, Andreas

2016-04-28

In recent years, highly cross-linked plasma polymers have started to unveil their potential in numerous biomedical applications in thin-film form. However, conventional diagnostic methods often fail due to their diverse molecular dynamics conformations. Here, glassy dynamics and the melting transition of thin PEO-like plasma assisted deposited (ppPEO) films (thickness 100 nm) were in situ studied by a combination of specific heat spectroscopy, utilizing a pJ/K sensitive ac-calorimeter chip, and composition analytical techniques. Different cross-linking densities were obtained by different plasma powers during the deposition of the films. Glassy dynamics were observed for all values of the plasma power. It was found that the glassy dynamics slows down with increasing the plasma power. Moreover, the underlying relaxation time spectra broaden indicating that the molecular motions become more heterogeneous with increasing plasma power. In a second set of the experiment, the melting behavior of the ppPEO films was studied. The melting temperature of ppPEO was found to decrease with increasing plasma power. This was explained by a decrease of the order in the crystals due to formation of chemical defects during the plasma process.

A benchmark initiative on mantle convection with melting and melt segregation

NASA Astrophysics Data System (ADS)

Schmeling, Harro; Dohmen, Janik; Wallner, Herbert; Noack, Lena; Tosi, Nicola; Plesa, Ana-Catalina; Maurice, Maxime

2015-04-01

In recent years a number of mantle convection models have been developed which include partial melting within the asthenosphere, estimation of melt volumes, as well as melt extraction with and without redistribution at the surface or within the lithosphere. All these approaches use various simplifying modelling assumptions whose effects on the dynamics of convection including the feedback on melting have not been explored in sufficient detail. To better assess the significance of such assumptions and to provide test cases for the modelling community we initiate a benchmark comparison. In the initial phase of this endeavor we focus on the usefulness of the definitions of the test cases keeping the physics as sound as possible. The reference model is taken from the mantle convection benchmark, case 1b (Blanckenbach et al., 1989), assuming a square box with free slip boundary conditions, the Boussinesq approximation, constant viscosity and a Rayleigh number of 1e5. Melting is modelled assuming a simplified binary solid solution with linearly depth dependent solidus and liquidus temperatures, as well as a solidus temperature depending linearly on depletion. Starting from a plume free initial temperature condition (to avoid melting at the onset time) three cases are investigated: Case 1 includes melting, but without thermal or dynamic feedback on the convection flow. This case provides a total melt generation rate (qm) in a steady state. Case 2 includes batch melting, melt buoyancy (melt Rayleigh number Rm), depletion buoyancy and latent heat, but no melt percolation. Output quantities are the Nusselt number (Nu), root mean square velocity (vrms) and qm approaching a statistical steady state. Case 3 includes two-phase flow, i.e. melt percolation, assuming a constant shear and bulk viscosity of the matrix and various melt retention numbers (Rt). These cases should be carried out using the Compaction Boussinseq Approximation (Schmeling, 2000) or the full compaction formulation. Variations of cases 1 - 3 may be tested, particularly studying the effect of melt extraction. The motivation of this presentation is to summarize first experiences, suggest possible modifications of the case definitions and call interested modelers to join this benchmark exercise. References: Blanckenbach, B., Busse, F., Christensen, U., Cserepes, L. Gun¬kel, D., Hansen, U., Har¬der, H. Jarvis, G., Koch, M., Mar¬quart, G., Moore D., Olson, P., and Schmeling, H., 1989: A benchmark comparison for mantle convection codes, J. Geo¬phys., 98, 23 38. Schmeling, H., 2000: Partial melting and melt segregation in a convecting mantle. In: Physics and Chemistry of Partially Molten Rocks, eds. N. Bagdassarov, D. Laporte, and A.B. Thompson, Kluwer Academic Publ., Dordrecht, pp. 141 - 178.

Modeling nonstructural carbohydrate reserve dynamics in forest trees

NASA Astrophysics Data System (ADS)

Richardson, A. D.; Keenan, T. F.; Carbone, M. S.; Czimczik, C. I.; Hollinger, D. Y.; Murakami, P.; Schaberg, P.; Xu, X.

2012-12-01

Understanding the factors influencing the availability of nonstructural carbohydrate (NSC) reserves is essential for predicting the resilience of forests to climate change and environmental stress. However, carbon allocation processes remain poorly understood and many models either ignore NSC reserves, or use simple and untested representations of NSC allocation and pool dynamics. Using model-data fusion techniques, we combined a parsimonious model of forest ecosystem carbon cycling with novel field sampling and laboratory analyses of NSCs. Simulations were conducted for an evergreen conifer forest and a deciduous broadleaf forest in New England. We used radiocarbon methods based on the 14C "bomb spike" to estimate the age of NSC reserves, and used this to constrain the mean residence time of modeled NSCs. We used additional data, including tower-measured fluxes of CO2, soil and biomass carbon stocks, woody biomass increment, and leaf area index and litterfall, to further constrain the model's parameters and initial conditions. Three years of field measurements indicate that stemwood NSCs are highly dynamic on seasonal time scales. The modeled seasonal dynamics conform to expectations (accumulated in the growing season, depleted in the dormant season) but are inconsistent with the observational data (total stemwood NSC concentrations higher in March than November, lower in August than June). We interpret this contradiction to suggest that stemwood concentrations provide an incomplete picture of the whole-tree NSC budget. A two-pool model structure that accounted for both "fast" (active pool, MRT ≈1 y) and "slow" (passive pool, MRT ≥ 20 y) cycling reserves (1) gives reasonable estimates of the size and MRT of the total NSC pool; (2) greatly improves model predictions of interannual variability in woody biomass increment, compared to zero- or one-pool structures used in the majority of existing models; (3) provides a mechanism by which observations of a one-year lag between carbon uptake and growth can be explained; (4) reconciles the apparent contradiction of a reserve pool that is both highly dynamic over time, and also a decade old on average; and (5) shows how younger reserves can be preferentially used to support growth and metabolism, but allows for the older reserves to be drawn on if the younger reserves are depleted. The improved performance and greater realism of our model is achieved without requiring a substantial increase in model complexity. From the perspective of modeling forest responses to climate change, we expect that models incorporating dynamic stored reserves should be better able to represent the lagged effects of climate extremes and disturbance on ecosystem C fluxes.

Dynamic and static equilibrium sea level effects of Greenland Ice Sheet melt: An assessment of partially-coupled idealized water hosing experiments (Invited)

NASA Astrophysics Data System (ADS)

Kopp, R. E.; Mitrovica, J. X.; Griffies, S. M.; Yin, J.; Hay, C. C.; Stouffer, R. J.

2010-12-01

Regional sea level can deviate from mean global sea level because of both dynamic sea level (DSL) effects, resulting from oceanic and atmospheric circulation and temperature and salinity distributions, and changes in the static equilibrium (SE) sea level configuration, produced by the gravitational, elastic, and rotational effects of mass redistribution. Both effects will contribute to future sea level change, but because they are studied by two different subdisciplines -- climate modeling and glacial rebound modeling -- projections that attempt to combine both have to date been scarce. To compare their magnitude, we simulated the effects of Greenland Ice Sheet (GIS) melt by conducting idealized North Atlantic "water-hosing" experiments in a climate model unidirectionally coupled to a SE sea level model. At current rates of GIS melt, freshwater hosing experiments in fully coupled atmosphere-ocean general circulation models (AOGCMs) do not yield clear DSL trends but do generate DSL variability; comparing that variability to expected static equilibrium "fingerprints" suggests that at least about 40 years of observations are needed to detect the "fingerprints" of ice sheet melt at current Greenland melt rates of about 0.3 mm equivalent sea level (esl)/year. Accelerated melt rates of about 2--6 mm esl/y, as may occur later in the century, should be detectable above background DSL variability within less than a decade of their onset. At these higher melt rates, AOGCMs do yield clear DSL trends. In the GFDL CM 2.1 model, DSL trends are strongest in the western North Atlantic, while SE effects come to dominate in most of the ocean when melt exceeds about 20 cm esl.

Clinopyroxene dissolution in basaltic melt

NASA Astrophysics Data System (ADS)

Chen, Yang; Zhang, Youxue

2009-10-01

The history of magmatic systems may be inferred from reactions between mantle xenoliths and host basalt if the thermodynamics and kinetics of the reactions are quantified. To study diffusive and convective clinopyroxene dissolution in silicate melts, diffusive clinopyroxene dissolution experiments were conducted at 0.47-1.90 GPa and 1509-1790 K in a piston-cylinder apparatus. Clinopyroxene saturation is found to be roughly determined by MgO and CaO content. The effective binary diffusivities, DMgO and DCaO, and the interface melt saturation condition, C0MgO×C0CaO, are extracted from the experiments. DMgO and DCaO show Arrhenian dependence on temperature. The pressure dependence is small and not resolved within 0.47-1.90 GPa. C0MgO×C0CaO in the interface melt increases with increasing temperature, but decreases with increasing pressure. Convective clinopyroxene dissolution, where the convection is driven by the density difference between the crystal and melt, is modeled using the diffusivities and interface melt saturation condition. Previous studies showed that the convective dissolution rate depends on the thermodynamics, kinetics and fluid dynamics of the system. Comparing our results for clinopyroxene dissolution to results from a previous study on convective olivine dissolution shows that the kinetic and fluid dynamic aspects of the two minerals are quite similar. However, the thermodynamics of clinopyroxene dissolution depends more strongly on the degree of superheating and composition of the host melt than that of olivine dissolution. The models for clinopyroxene and olivine dissolution are tested against literature experiments on mineral-melt interaction. They are then applied to previously proposed reactions between Hawaii basalts and mantle minerals, mid-ocean ridge basalts and mantle minerals, and xenoliths digestion in a basalt at Kuandian, Northeast China.

Simulations with current constraints of ELM-induced tungsten melt motion in ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Thorén, E.; Bazylev, B.; Ratynskaia, S.; Tolias, P.; Krieger, K.; Pitts, R. A.; Pestchanyi, S.; Komm, M.; Sieglin, B.; the EUROfusion MST1 Team; the ASDEX Upgrade Team

2017-12-01

Melt motion simulations of recent ASDEX Upgrade experiments on transient-induced melting of a tungsten leading edge during ELMing H-mode are performed with the incompressible fluid dynamics code MEMOS 3D. The total current flowing through the sample was measured in these experiments providing an important constraint for the simulations since thermionic emission is considered to be responsible for the replacement current driving melt motion. To allow for a reliable comparison, the description of the space-charge limited regime of thermionic emission has been updated in the code. The effect of non-periodic aspects of the spatio-temporal heat flux in the temperature distribution and melt characteristics as well as the importance of current limitation are investigated. The results are compared with measurements of the total current and melt profile.

THE MELTING MECHANISM OF DNA TETHERED TO A SURFACE

PubMed Central

QAMHIEH, KHAWLA; WONG, KA-YIU; LYNCH, GILLIAN C.; PETTITT, B. MONTGOMERY

2009-01-01

The details of melting of DNA immobilized on a chip or nanoparticle determines the sensitivity and operating characteristics of many analytical and synthetic biotechnological devices. Yet, little is known about the differences in how the DNA melting occurs between a homogeneous solution and that on a chip. We used molecular dynamics simulations to explore possible pathways for DNA melting on a chip. Simulation conditions were chosen to ensure that melting occurred in a submicrosecond timescale. The temperature was set to 400 K and the NaCl concentration was set to 0.1 M. We found less symmetry than in the solution case where for oligomeric double-stranded nucleic acids both ends melted with roughly equal probability. On a prepared silica surface we found melting is dominated by fraying from the end away from the surface. Strand separation was hindered by nonspecific surface adsorption at this temperature. At elevated temperatures the melted DNA was attracted to even uncharged organically coated surfaces demonstrating surface fouling. While hybridization is not the simple reverse of melting, this simulation has implications for the kinetics of hybridization. PMID:19802357

A Two-Dimensional Liquid Structure Explains the Elevated Melting Temperatures of Gallium Nanoclusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2016-01-13

Melting in finite-sized materials differs in two ways from the solid-liquid phase transition in bulk systems. First, there is an inherent scaling of the melting temperature below that of the bulk, known as melting point depression. Second, at small sizes changes in melting temperature become nonmonotonic and show a size-dependence that is sensitive to the structure of the particle. Melting temperatures that exceed those of the bulk material have been shown to occur for a very limited range of nanoclusters, including gallium, but have still never been ascribed a convincing physical explanation. Here, we analyze the structure of the liquid phase in gallium clusters based on molecular dynamics simulations that reproduce the greater-than-bulk melting behavior observed in experiments. We observe persistent nonspherical shape distortion indicating a stabilization of the surface, which invalidates the paradigm of melting point depression. This shape distortion suggests that the surface acts as a constraint on the liquid state that lowers its entropy relative to that of the bulk liquid and thus raises the melting temperature.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wejrzanowski, Tomasz; Lewandowska, Malgorzata; Sikorski, Krzysztof

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 grainmore » 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.« less

Comparing the Performance of Three Land Models in Global C Cycle Simulations: A Detailed Structural Analysis: Structural Analysis of Land Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rafique, Rashid; Xia, Jianyang; Hararuk, Oleksandra

Land models are valuable tools to understand the dynamics of global carbon (C) cycle. Various models have been developed and used for predictions of future C dynamics but uncertainties still exist. Diagnosing the models’ behaviors in terms of structures can help to narrow down the uncertainties in prediction of C dynamics. In this study three widely used land surface models, namely CSIRO’s Atmosphere Biosphere Land Exchange (CABLE) with 9 C pools, Community Land Model (version 3.5) combined with Carnegie-Ames-Stanford Approach (CLM-CASA) with 12 C pools and Community Land Model (version 4) (CLM4) with 26 C pools were driven by themore » observed meteorological forcing. The simulated C storage and residence time were used for analysis. The C storage and residence time were computed globally for all individual soil and plant pools, as well as net primary productivity (NPP) and its allocation to different plant components’ based on these models. Remotely sensed NPP and statistically derived HWSD, and GLC2000 datasets were used as a reference to evaluate the performance of these models. Results showed that CABLE exhibited better agreement with referenced C storage and residence time for plant and soil pools, as compared with CLM-CASA and CLM4. CABLE had longer bulk residence time for soil C pools and stored more C in roots, whereas, CLM-CASA and CLM4 stored more C in woody pools due to differential NPP allocation. Overall, these results indicate that the differences in C storage and residence times in three models are largely due to the differences in their fundamental structures (number of C pools), NPP allocation and C transfer rates. Our results have implications in model development and provide a general framework to explain the bias/uncertainties in simulation of C storage and residence times from the perspectives of model structures.« less

Study on installation of the submersible mixer

NASA Astrophysics Data System (ADS)

Tian, F.; Shi, W. D.; He, X. H.; Jiang, H.; Xu, Y. H.

2013-12-01

Study on installation of the submersible mixer for sewage treatment has been limited. In this article, large-scale computational fluid dynamics software FLUENT6.3 was adopted. ICEM software was used to build an unstructured grid of sewage treatment pool. After that, the sewage treatment pool was numerically simulated by dynamic coordinate system technology and RNG k-ε turbulent model and PIOS algorithm. Agitation pools on four different installation location cases were simulated respectively, and the external characteristic of the submersible mixer and the velocity cloud of the axial section were respectively comparatively analyzed. The best stirring effect can be reached by the installation location of case C, which is near the bottom of the pool 600 mm and blade distance the bottom at least for 200 mm wide and wide edge and narrow edge distance by 4:3. The conclusion can guide the engineering practice.

Nonequilibrium molecular dynamics study of ring polymer melts under shear and elongation flows: A comparison with their linear analogs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoon, Jeongha; Kim, Jinseong; Baig, Chunggi, E-mail: cbaig@unist.ac.kr

We present detailed results for the structural and rheological properties of unknotted and unconcatenated ring polyethylene (PE) melts under shear and elongation flows via direct atomistic nonequilibrium molecular dynamics simulations. Short (C{sub 78}H{sub 156}) and long (C{sub 400}H{sub 800}) ring PE melts were subjected to planar Couette flow (PCF) and planar elongational flow (PEF) across a wide range of strain rates from linear to highly nonlinear flow regimes. The results are analyzed in detail through a direct comparison with those of the corresponding linear polymers. We found that, in comparison to their linear analogs, ring melts possess rather compact chainmore » structures at or near the equilibrium state and exhibit a considerably lesser degree of structural deformation with respect to the applied flow strength under both PCF and PEF. The large structural resistance of ring polymers against an external flow field is attributed to the intrinsic closed-loop configuration of the ring and the topological constraint of nonconcatenation between ring chains in the melt. As a result, there appears to be a substantial discrepancy between ring and linear systems in terms of their structural and rheological properties such as chain orientation, the distribution of chain dimensions, viscosity, flow birefringence, hydrostatic pressure, the pair correlation function, and potential interaction energies. The findings and conclusions drawn in this work would be a useful guide in future exploration of the characteristic dynamical and relaxation mechanisms of ring polymers in bulk or confined systems under flowing conditions.« less

Lid for improved dendritic web growth

DOEpatents

Duncan, Charles S.; Kochka, Edgar L.; Piotrowski, Paul A.; Seidensticker, Raymond G.

1992-03-24

A lid for a susceptor in which a crystalline material is melted by induction heating to form a pool or melt of molten material from which a dendritic web of essentially a single crystal of the material is pulled through an elongated slot in the lid and the lid has a pair of generally round openings adjacent the ends of the slot and a groove extends between each opening and the end of the slot. The grooves extend from the outboard surface of the lid to adjacent the inboard surface providing a strip contiguous with the inboard surface of the lid to produce generally uniform radiational heat loss across the width of the dendritic web adjacent the inboard surface of the lid to reduce thermal stresses in the web and facilitate the growth of wider webs at a greater withdrawal rate.

Melt focusing and geochemical evolution at mid-ocean ridges: simulations of reactive two-phase flow

NASA Astrophysics Data System (ADS)

Keller, T.; Katz, R. F.; Hirschmann, M. M.

2017-12-01

The geochemical character of MORB and related off-axis volcanic products reflects the signature of chemical reservoirs in the mantle, the processes of melt transport from source to surface, or both. Focusing of partial melt to the ridge axis controls the proportion of deep, volatile- and incompatible-rich melts that contribute to MORB formation. However, the effect of volatiles, including CO2 and H2O, on melt segregation and focusing remains poorly understood. We investigate this transport using 2-D numerical simulations of reactive two-phase flow. The phases are solid mantle and liquid magma. Major elements and volatiles are represented by a system with 4 or 6 pseudo-components. This captures accepted features of mantle melting with volatiles. The fluid-dynamical model is McKenzie's formulation [1], while melting and reactive transport use the R_DMC method [2,3]. Trace element transport is computed for 5 idealized elements between highly incompatible and compatible behavior. Our results indicate that volatiles cause channelized melt transport, which leads to fluctuations in volume and composition of melt focused to the axis. The volatile-induced expansion of the melting regime at depth, however, has no influence on melt focusing. Up to 50% of deep, volatile-rich melts are not focused to the axis, but are emplaced along the oceanic LAB. There, crystallization of accumulated melt leads to enrichment of volatiles and incompatibles in the deep lithosphere. This has implications for volatile recycling by subduction, seismic properties of the oceanic LAB, and potential sources for seamount volcanism. Results from a suite of simulations, constrained by catalogued observational data [4,5,6], enable prediction of global MORB and volatile output and systematic variations of major, volatile and trace element concentrations as a function of mantle conditions and dynamic properties. REFERENCES[1] McKenzie (1984), doi:10.1093/petrology/25.3.713.[2] Rudge, Bercovici & Spiegelman (2011), doi:10.1111/j.1365-246X.2010.04870.x.[3] Keller & Katz (2016), doi:10.1093/petrology/egw030.[4] Dalton, Langmuir & Gale (2014), doi:10.1126/science.1249466.[5] Gale, Langmuir & Dalton (2014), doi:10.1093/petrology/egu017.[6] White et al. (2001), doi:10.1093/petrology/42.6.1171.

Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions

PubMed Central

Di Paola, Cono; P. Brodholt, John

2016-01-01

Knowledge of the melting properties of materials, especially at extreme pressure conditions, represents a long-standing scientific challenge. For instance, there is currently considerable uncertainty over the melting temperatures of the high-pressure mantle mineral, bridgmanite (MgSiO3-perovskite), with current estimates of the melting T at the base of the mantle ranging from 4800 K to 8000 K. The difficulty with experimentally measuring high pressure melting temperatures has motivated the use of ab initio methods, however, melting is a complex multi-scale phenomenon and the timescale for melting can be prohibitively long. Here we show that a combination of empirical and ab-initio molecular dynamics calculations can be used to successfully predict the melting point of multicomponent systems, such as MgSiO3 perovskite. We predict the correct low-pressure melting T, and at high-pressure we show that the melting temperature is only 5000 K at 120 GPa, a value lower than nearly all previous estimates. In addition, we believe that this strategy is of general applicability and therefore suitable for any system under physical conditions where simpler models fail. PMID:27444854

Evaluation of the External RNA Controls Consortium (ERCC) reference material using a modified Latin square design.

PubMed

Pine, P Scott; Munro, Sarah A; Parsons, Jerod R; McDaniel, Jennifer; Lucas, Anne Bergstrom; Lozach, Jean; Myers, Timothy G; Su, Qin; Jacobs-Helber, Sarah M; Salit, Marc

2016-06-24

Highly multiplexed assays for quantitation of RNA transcripts are being used in many areas of biology and medicine. Using data generated by these transcriptomic assays requires measurement assurance with appropriate controls. Methods to prototype and evaluate multiple RNA controls were developed as part of the External RNA Controls Consortium (ERCC) assessment process. These approaches included a modified Latin square design to provide a broad dynamic range of relative abundance with known differences between four complex pools of ERCC RNA transcripts spiked into a human liver total RNA background. ERCC pools were analyzed on four different microarray platforms: Agilent 1- and 2-color, Illumina bead, and NIAID lab-made spotted microarrays; and two different second-generation sequencing platforms: the Life Technologies 5500xl and the Illumina HiSeq 2500. Individual ERCC controls were assessed for reproducible performance in signal response to concentration among the platforms. Most demonstrated linear behavior if they were not located near one of the extremes of the dynamic range. Performance issues with any individual ERCC transcript could be attributed to detection limitations, platform-specific target probe issues, or potential mixing errors. Collectively, these pools of spike-in RNA controls were evaluated for suitability as surrogates for endogenous transcripts to interrogate the performance of the RNA measurement process of each platform. The controls were useful for establishing the dynamic range of the assay, as well as delineating the useable region of that range where differential expression measurements, expressed as ratios, would be expected to be accurate. The modified Latin square design presented here uses a composite testing scheme for the evaluation of multiple performance characteristics: linear performance of individual controls, signal response within dynamic range pools of controls, and ratio detection between pairs of dynamic range pools. This compact design provides an economical sample format for the evaluation of multiple external RNA controls within a single experiment per platform. These results indicate that well-designed pools of RNA controls, spiked into samples, provide measurement assurance for endogenous gene expression studies.

Evolutions of lamellar structure during melting and solidification of Fe9577 nanoparticle from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Wu, Yongquan; Shen, Tong; Lu, Xionggang

2013-03-01

A structural evolution during solidification and melting processes of nanoparticle Fe9577 was investigated from MD simulations. A perfect lamellar structure, consisting alternately of fcc and hcp layers, was obtained from solidification process. A structural heredity of early embryo is proposed to explain the structural preference of solidification. Defects were found inside the solid core and play the same role as surface premelting on melting. hcp was found more stable than fcc in high temperature. The difference between melting and solidification points can be deduced coming fully from the overcoming of thermodynamic energy barrier, instead of kinetic delay of structural relaxation.

Hetero-phase fluctuations in the pre-melting region in ionic crystals

NASA Astrophysics Data System (ADS)

Matsunaga, S.; Tamaki, S.

2008-06-01

The theory of the pre-melting phenomena in ionic crystals on the basis of the concept of the hetero phase fluctuation has been applied to KCl and AgCl crystal. The large scale molecular dynamics simulations (MD) in KCl and AgCl crystals are also performed to examine the ionic configuration in premelting region in the vicinity of their melting points. The size of the liquid like clusters are estimated by the theory and MD. The structural features of liquid like clusters are discussed by MD results using the Lindemann instability condition. The ionic conductivities in the pre-melting region are also discussed on the same theoretical basis.

Additive manufacturing of glass for optical applications

NASA Astrophysics Data System (ADS)

Luo, Junjie; Gilbert, Luke J.; Bristow, Douglas A.; Landers, Robert G.; Goldstein, Jonathan T.; Urbas, Augustine M.; Kinzel, Edward C.

2016-04-01

Glasses including fused quartz have significant scientific and engineering applications including optics, communications, electronics, and hermetic seals. This paper investigates a filament fed process for Additive Manufacturing (AM) of fused quartz. Additive manufacturing has several potential benefits including increased design freedom, faster prototyping, and lower processing costs for small production volumes. However, current research in AM of glasses is limited and has focused on non-optical applications. Fused quartz is studied here because of its desirability for high-quality optics due to its high transmissivity and thermal stability. Fused quartz also has a higher working temperature than soda lime glass which poses a challenge for AM. In this work, fused quartz filaments are fed into a CO2 laser generated melt pool, smoothly depositing material onto the work piece. Single tracks are printed to explore the effects that different process parameters have on the morphology of printed fused quartz. A spectrometer is used to measure the thermal radiation incandescently emitted from the melt pool. Thin-walls are printed to study the effects of layer-to-layer height. Finally, a 3D fused quartz cube is printed using the newly acquired layer height and polished on each surface. The transmittance and index homogeneity of the polished cube are both measured. These results show that the filament fed process has the potential to print fused quartz with optical transparency and of index of refraction uniformity approaching bulk processed glass.

Dynamical Scaling and Phase Coexistence in Topologically Constrained DNA Melting.

PubMed

Fosado, Y A G; Michieletto, D; Marenduzzo, D

2017-09-15

There is a long-standing experimental observation that the melting of topologically constrained DNA, such as circular closed plasmids, is less abrupt than that of linear molecules. This finding points to an important role of topology in the physics of DNA denaturation, which is, however, poorly understood. Here, we shed light on this issue by combining large-scale Brownian dynamics simulations with an analytically solvable phenomenological Landau mean field theory. We find that the competition between melting and supercoiling leads to phase coexistence of denatured and intact phases at the single-molecule level. This coexistence occurs in a wide temperature range, thereby accounting for the broadening of the transition. Finally, our simulations show an intriguing topology-dependent scaling law governing the growth of denaturation bubbles in supercoiled plasmids, which can be understood within the proposed mean field theory.

Study of the high-pressure helium phase diagram using molecular dynamics

NASA Astrophysics Data System (ADS)

Koci, L.; Ahuja, R.; Belonoshko, A. B.; Johansson, B.

2007-01-01

The rich occurrence of helium and hydrogen in space makes their properties highly interesting. By means of molecular dynamics (MD), we have examined two interatomic potentials for 4He. Both potentials are demonstrated to reproduce high-pressure solid and liquid equation of state (EOS) data. The EOS, solid-solid transitions and melting at high pressures (P) were studied using a two-phase method. The Buckingham potential shows a good agreement with theoretical and experimental EOS, but does not reproduce experimental melting data. The Aziz potential shows a perfect match with theoretical melting data. We conclude that there is a stable body-centred-cubic (bcc) phase for 4He at temperatures (T) above 340 K and pressures above 22 GPa for the Buckingham potential, whereas no bcc phase is found for the Aziz potential in the applied PT range.

Molten uranium dioxide structure and dynamics

DOE PAGES

Skinner, L. B.; Parise, J. B.; Benmore, C. J.; ...

2014-11-21

Uranium dioxide (UO 2) is the major nuclear fuel component of fission power reactors. A key concern during severe accidents is the melting and leakage of radioactive UO 2 as it corrodes through its zirconium cladding and steel containment. Yet, the very high temperatures (>3140 kelvin) and chemical reactivity of molten UO 2 have prevented structural studies. In this work, we combine laser heating, sample levitation, and synchrotron x-rays to obtain pair distribution function measurements of hot solid and molten UO 2. The hot solid shows a substantial increase in oxygen disorder around the lambda transition (2670 K) but negligiblemore » U-O coordination change. On melting, the average U-O coordination drops from 8 to 6.7 ± 0.5. Molecular dynamics models refined to this structure predict higher U-U mobility than 8-coordinated melts.« less

CYCLAM - Recycling by a Laser-driven Drop Jet from Waste that Feeds AM

NASA Astrophysics Data System (ADS)

Kaplan, Alexander F. H.; Samarjy, Ramiz S. M.

Additive manufacturing of metal parts is supplied by powder or wire. Manufacturing of this raw material causes additional costs and environmental impact. A new technique is proposed where the feeding directly originates from a metal sheet, which can even be waste. When cutting is done by laser-induced boiling, melt is continuously ejected downwards underneath the sheet. The ejected melt is deposited as a track on a substrate, enabling additive manufacturing by substrate movement along a desired path. The melt first flows downwards as a column and after a few millimeters separates into drops, here about 500 micrometer in diameter, as observed by high speed imaging. The drops incorporate sequentially and calmly into a long melt pool on the substrate. While steel drops formed regular tracks on steel and aluminium substrates, on copper substrate periodic drops solidified instead. For this new technique, called CYCLAM, the laser beam acts indirectly while the drop jet becomes the main tool. From imaging, properties like the width or fluctuations of the drop jet can be statistically evaluated. Despite oscillation of the liquid column, the divergence of the drop jet remained small, improving the precision and robustness. The melt leaves the cut sheet as a liquid column, 1 to 4 mm in length, which periodically separates drops that are transferred as a liquid jet to the substrate. For very short distance of 2 to 3 mm between the two sheets this liquid column can transfer the melt continuously as a liquid bridge. This phenomenon was observed, as a variant of the technique, but the duration of the bridge was limited by fluid mechanic instabilities.

Modeling and observational occurrences of near-surface drainage in Utopia Planitia, Mars

NASA Astrophysics Data System (ADS)

Costard, F.; Sejourne, A.; Kargel, J.; Godin, E.

2016-12-01

During the past 15 years, evidence for an ice-rich planet Mars has rapidly mounted, become increasingly varied in terms of types of deposits and types of observational data, and has become more widespread across the surface. The mid-latitudes of Mars, especially Utopia Planitia, show many types of interesting landforms similar to those in periglacial landscapes on Earth that suggest the presence of ice-rich permafrost. These include thermal contraction polygonal networks, scalloped terrains similar to thermokarst pits, debris flows, small mounds like pingos and rock glaciers. Here, we address questions concerning the influence of meltwater in the Utopia Planitia (UP) landscape using analogs of near-surface melting and drainage along ice-wedge troughs on Bylot Island, northern Canada. In Utopia Planitia, based on the identification of sinuous channel-like pits within polygonal networks, we suggest that episodic underground melting was possible under severe periglacial climate conditions. In UP, the collapse pattern and morphology of unconnected sinuous elongated pits that follow the polygon crack are similar to underground melting in Bylot Island (Nunavut, Canada). Based on this terrestrial analogue, we develop a thermal model that consists of a thick insulating dusty layer over ice-saturated dust during a period of slight climatic warming relative to today's climate. In the model, the melting point is reached at depths down to 150 m. We suggest that small-scale melting could have occurred below ground within ground-ice polygonal fractures and pooled in underground cavities. Then the water may have been released episodically causing mechanical erosion as well as undermining and collapse. After melting, the dry surface dusty layer might have been blown away, thus exposing the degraded terrain of the substrate layer.

Mass dependence of the activation enthalpy and entropy of unentangled linear alkane chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeong, Cheol; Douglas, Jack F.

2015-10-14

The mass scaling of the self-diffusion coefficient D of polymers in the liquid state, D ∼ M{sup β}, is one of the most basic characteristics of these complex fluids. Although traditional theories such as the Rouse and reptation models of unentangled and entangled polymer melts, respectively, predict that β is constant, this exponent for alkanes has been estimated experimentally to vary from −1.8 to −2.7 upon cooling. Significantly, β changes with temperature T under conditions where the chains are not entangled and at temperatures far above the glass transition temperature T{sub g} where dynamic heterogeneity does not complicate the descriptionmore » of the liquid dynamics. Based on atomistic molecular dynamics simulations on unentangled linear alkanes in the melt, we find that the variation of β with T can be directly attributed to the dependence of the enthalpy ΔH{sub a} and entropy ΔS{sub a} of activation on the number of alkane backbone carbon atoms, n. In addition, we find a sharp change in the melt dynamics near a “critical” chain length, n ≈ 17. A close examination of this phenomenon indicates that a “buckling transition” from rod-like to coiled chain configurations occurs at this characteristic chain length and distinct entropy-enthalpy compensation relations, ΔS{sub a} ∝ ΔH{sub a}, hold on either side of this polymer conformational transition. We conclude that the activation free energy parameters exert a significant influence on the dynamics of polymer melts that is not anticipated by either the Rouse and reptation models. In addition to changes of ΔH{sub a} and ΔS{sub a} with M, we expect changes in these free energy parameters to be crucial for understanding the dynamics of polymer blends, nanocomposites, and confined polymers because of changes of the fluid free energy by interfacial interactions and geometrical confinement.« less

A simplified model to predict diurnal water temperature dynamics in a shallow tropical water pool.

PubMed

Paaijmans, Krijn P; Heusinkveld, Bert G; Jacobs, Adrie F G

2008-11-01

Water temperature is a critical regulator in the growth and development of malaria mosquito immatures, as they are poikilothermic. Measuring or estimating the diurnal temperature ranges to which these immatures are exposed is of the utmost importance, as these immatures will develop into adults that can transmit malaria. Recent attempts to predict the daily water temperature dynamics in mosquito breeding sites in Kenya have been successful. However, the developed model may be too complex, as the sophisticated equipment that was used for detailed meteorological observations is not widely distributed in Africa, making it difficult to predict the daily water temperature dynamics on a local scale. Therefore, we compared two energy budget models with earlier made observations of the daily water temperature dynamics in a small, shallow and clear water pool (diameter 0.96 m, depth 0.32 m) in Kenya. This paper describes (1) a complex 1-Dimensional model, and (2) a simplified second model, and (3) shows that both models mimic the water temperature dynamics in the water pool accurately. The latter model has the advantage that it only needs common weather data (air temperature, air humidity, wind speed and cloud cover) to estimate the diurnal temperature dynamics in breeding sites of African malaria mosquitoes.

The thermochemical, two-phase dynamics of subduction zones: results from new, fully coupled models

NASA Astrophysics Data System (ADS)

Rees Jones, D. W.; Katz, R. F.; May, D.; Tian, M.; Rudge, J. F.

2017-12-01

Subduction zones are responsible for most of Earth's subaerial volcanism. However, previous geodynamic modelling of subduction zones has largely neglected magmatism. We previously showed that magmatism has a significant thermal impact, by advecting sensible heat into the lithosphere beneath arc volcanos [1]. Inclusion of this effect helps reconcile subduction zone models with petrological and heat flow observations. Many important questions remain, including how magma-mantle dynamics of subduction zones affects the position of arc volcanos and the character of their lavas. In this presentation, we employ a fully coupled, thermochemical, two-phase flow theory to investigate the dynamics of subduction zones. We present the first results from our new software (SubFUSc), which solves the coupled equations governing conservation of mass, momentum, energy and chemical species. The presence and migration of partial melts affect permeability and mantle viscosity (both directly and through their thermal impact); these, in turn, feed back on the magma-mantle flow. Thus our fully coupled modelling improves upon previous two-phase models that decoupled the governing equations and fixed the thermal structure [2]. To capture phase change, we use a novel, simplified model of the mantle melting in the presence of volatile species. As in the natural system, volatiles are associated with low-degree melting at temperatures beneath the anhydrous solidus; dehydration reactions in the slab supply volatiles into the wedge, triggering silicic melting. We simulate the migration of melts under buoyancy forces and dynamic pressure gradients. We thereby demonstrate the dynamical controls on the pattern of subduction-zone volcanism (particularly its location, magnitude, and chemical composition). We build on our previous study of the thermal consequences of magma genesis and segregation. We address the question of what controls the location of arc volcanoes themselves [3]. [1] Rees Jones, D. W., Katz, R. F., Tian, M and Rudge, J. F. (2017). Thermal impact of magmatism in subduction zones. arxiv.org/abs/1701.02550 [2] Wilson, C. R., Spiegelman, M., van Keken, P. E., & Hacker, B. R. (2014). EPSL, doi:10.1016/j.epsl.2014.05.052 [3] England, P. C., Katz, Richard F. (2010). Nature, doi:10.1038/nature09417

Biogenic silicon pools in terrestrial biogeosystems and their significance for silicon cycling

NASA Astrophysics Data System (ADS)

Puppe, Daniel; Höhn, Axel; Kaczorek, Danuta; Ehrmann, Otto; Wanner, Manfred; Sommer, Michael

2017-04-01

On a global scale the biogeochemical cycles of silicon (Si) and carbon are connected by weathering processes and fluxes of dissolved Si from terrestrial to aquatic ecosystems. Various pro- and eukaryotic organisms are evolutionarily adapted to synthesize amorphous siliceous structures (biosilicification). In soils these siliceous structures can accumulate and form biogenic Si (BSi) pools, whereat it can be differentiated between phytogenic (BSi synthesized by plants), zoogenic (BSi synthesized by sponges), microbial (BSi synthesized by bacteria and fungi) and protistic (BSi synthesized by unicellular organisms) pools. Accumulation and recycling of BSi in terrestrial biogeosystems influence fluxes of dissolved Si from the continents to the oceans, thus act as a filter in the global Si cycle. As research has primarily been focused on the role of phytogenic Si pools until now there is only little information available on the other BSi pools in soils. In order to fill this knowledge gap we examined different BSi pools in soils of initial and forested terrestrial biogeosystems using modern microscopical methods (laser scanning and scanning electron microscopy). In forested biogeosystems we further analyzed abiotic (e.g. soil pH) and biotic (earthworm biomasses) influencing factors on BSi pool size, while samples of initial biogeosystems were used to analyze spatiotemporal BSi pool dynamics. We found that especially biotic interactions are important factors for protistic BSi pools (represented by testate amoebae) and that phytogenic Si pools are about several 100-times bigger than protistic (testate amoebae) Si pools (0.2-4.7 kg Si ha-1). However, annual biosilicification rates of testate amoebae (up to 80 kg Si ha-1) are comparable to or even can exceed annual silicon uptake by trees. Our studies of initial biogeosystems revealed that BSi pool sizes increased markedly within a relatively short time span (<10 years) of ecosystem development. Differences in quantities, dynamics and resistibility against dissolution of various BSi pools indicated their possibility to influence biogeochemical Si cycling relatively rapid (protistic Si pools) or slow (zoogenic Si pools). In conclusion, our results are crucial for a detailed understanding and a more precise modeling of Si fluxes from terrestrial to aquatic ecosystems.

Cooling Rate Determination in Additively Manufactured Aluminum Alloy 2219

NASA Astrophysics Data System (ADS)

Brice, Craig A.; Dennis, Noah

2015-05-01

Metallic additive manufacturing processes generally utilize a conduction mode, welding-type approach to create beads of deposited material that can be arranged into a three-dimensional structure. As with welding, the cooling rates in the molten pool are relatively rapid compared to traditional casting techniques. Determination of the cooling rate in the molten pool is critical for predicting the solidified microstructure and resultant properties. In this experiment, wire-fed electron beam additive manufacturing was used to melt aluminum alloy 2219 under different thermal boundary conditions. The dendrite arm spacing was measured in the remelted material, and this information was used to estimate cooling rates in the molten pool based on established empirical relationships. The results showed that the thermal boundary conditions have a significant effect on the resulting cooling rate in the molten pool. When thermal conduction is limited due to a small thermal sink, the dendrite arm spacing varies between 15 and 35 µm. When thermal conduction is active, the dendrite arm spacing varies between 6 and 12 µm. This range of dendrite arm spacing implies cooling rates ranging from 5 to 350 K/s. Cooling rates can vary greatly as thermal conditions change during deposition. A cooling rate at the higher end of the range could lead to significant deviation from microstructural equilibrium during solidification.

Improving Estimates and Forecasts of Lake Carbon Pools and Fluxes Using Data Assimilation

NASA Astrophysics Data System (ADS)

Zwart, J. A.; Hararuk, O.; Prairie, Y.; Solomon, C.; Jones, S.

2017-12-01

Lakes are biogeochemical hotspots on the landscape, contributing significantly to the global carbon cycle despite their small areal coverage. Observations and models of lake carbon pools and fluxes are rarely explicitly combined through data assimilation despite significant use of this technique in other fields with great success. Data assimilation adds value to both observations and models by constraining models with observations of the system and by leveraging knowledge of the system formalized by the model to objectively fill information gaps. In this analysis, we highlight the utility of data assimilation in lake carbon cycling research by using the Ensemble Kalman Filter to combine simple lake carbon models with observations of lake carbon pools. We demonstrate the use of data assimilation to improve a model's representation of lake carbon dynamics, to reduce uncertainty in estimates of lake carbon pools and fluxes, and to improve the accuracy of carbon pool size estimates relative to estimates derived from observations alone. Data assimilation techniques should be embraced as valuable tools for lake biogeochemists interested in learning about ecosystem dynamics and forecasting ecosystem states and processes.

Biomass and nutrients of Pinus massoniana plantations in southern China: simulations for different management practices.

Treesearch

Huixia Yang; Silong Wang; Jianwei Zhang; Bing Fan; Weidong Zhang

2011-01-01

We measured the dynamics of both biomass and nutrient pools on 7-, 17-, 31- and 51-year-old Pinus massoniana plantations in southern China. Using a chronosequence approach, we found that biomass of each component increased with aging while its proportion decreased except stem-wood. Nutrient pools varied with biomass pools except for foliage. For all harvest intensities...

Basal melting driven by turbulent thermal convection

NASA Astrophysics Data System (ADS)

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.

Self Diffusion in Nano Filled Polymer Melts: a Molecular Dynamics Simulation Study

NASA Astrophysics Data System (ADS)

Desai, Tapan; Keblinski, Pawel

2003-03-01

SELF DIFFUSION IN NANO FILLED POLYMER MELTS: A MOLECULAR DYNAMICS SIMULATION STUDY* T. G. Desai,P. Keblinski, Material Science and Engineering Department, Rensselaer Polytechnic Institute, Troy, NY. Using molecular dynamics simulations, we studied the dynamics of the polymeric systems containing immobile and analytically smooth spherical nanoparticles. Each chain consisted of N monomers connected by an anharmonic springs described by the finite extendible nonlinear elastic, FENE potential. The system comprises of 3nanoparticles and the rest by freely rotating but not overlapping chains. The longest chain studied has a Radius of gyration equal to particle size radius and comparable to inter-particle distance. There is no effect on the structural characteristics such as Radius of gyration or end to end distance due to the nanoparticles. Diffusion of polymeric chains is not affected by the presence of either attractive or repulsive nanoparticles. In all cases Rouse dynamics is observed for short chains with a crossover to reptation dynamics for longer chains.

Melting properties of Pt and its transport coefficients in liquid states under high pressures

NASA Astrophysics Data System (ADS)

Wang, Pan-Pan; Shao, Ju-Xiang; Cao, Qi-Long

2016-11-01

Molecular dynamics (MD) simulations of the melting and transport properties in liquid states of platinum for the pressure range (50-200 GPa) are reported. The melting curve of platinum is consistent with previous ab initio MD simulation results and the first-principles melting curve. Calculated results for the pressure dependence of fusion entropy and fusion volume show that the fusion entropy and the fusion volume decrease with increasing pressure, and the ratio of the fusion volume to fusion entropy roughly reproduces the melting slope, which has a moderate decrease along the melting line. The Arrhenius law well describes the temperature dependence of self-diffusion coefficients and viscosity under high pressure, and the diffusion activation energy decreases with increasing pressure, while the viscosity activation energy increases with increasing pressure. In addition, the entropy-scaling law, proposed by Rosenfeld under ambient pressure, still holds well for liquid Pt under high pressure conditions.

Melting of superheated molecular crystals

NASA Astrophysics Data System (ADS)

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.

Predicted reentrant melting of dense hydrogen at ultra-high pressures

PubMed Central

Geng, Hua Y.; Wu, Q.

2016-01-01

The phase diagram of hydrogen is one of the most important challenges in high-pressure physics and astrophysics. Especially, the melting of dense hydrogen is complicated by dimer dissociation, metallization and nuclear quantum effect of protons, which together lead to a cold melting of dense hydrogen when above 500 GPa. Nonetheless, the variation of the melting curve at higher pressures is virtually uncharted. Here we report that using ab initio molecular dynamics and path integral simulations based on density functional theory, a new atomic phase is discovered, which gives an uplifting melting curve of dense hydrogen when beyond 2 TPa, and results in a reentrant solid-liquid transition before entering the Wigner crystalline phase of protons. The findings greatly extend the phase diagram of dense hydrogen, and put metallic hydrogen into the group of alkali metals, with its melting curve closely resembling those of lithium and sodium. PMID:27834405

Product differentiation by analysis of DNA melting curves during the polymerase chain reaction.

PubMed

Ririe, K M; Rasmussen, R P; Wittwer, C T

1997-02-15

A microvolume fluorometer integrated with a thermal cycler was used to acquire DNA melting curves during polymerase chain reaction by fluorescence monitoring of the double-stranded DNA specific dye SYBR Green I. Plotting fluorescence as a function of temperature as the thermal cycler heats through the dissociation temperature of the product gives a DNA melting curve. The shape and position of this DNA melting curve are functions of the GC/AT ratio, length, and sequence and can be used to differentiate amplification products separated by less than 2 degrees C in melting temperature. Desired products can be distinguished from undesirable products, in many cases eliminating the need for gel electrophoresis. Analysis of melting curves can extend the dynamic range of initial template quantification when amplification is monitored with double-stranded DNA specific dyes. Complete amplification and analysis of products can be performed in less than 15 min.

Simulation of soil organic carbon in different soil size fractions using 13Carbon measurement data

NASA Astrophysics Data System (ADS)

Gottschalk, P.; Bellarby, J.; Chenu, C.; Foereid, B.; Wattenbach, M.; Zingore, S.; Smith, J.

2009-04-01

We simulate the soil organic carbon (SOC) dynamics at a chronoseqeunce site in France, using the Rothamsted Carbon model. The site exhibits a transition from C3 plants, dominated by pine forest, to a conventional C4 maize rotation. The different 13C signatures of the forest plants and maize are used to distinguish between the woodland derived carbon (C) and the maize derived C. The model is evaluated against total SOC and C derived from forest and maize, respectively. The SOC dynamics of the five SOC pools of the model, decomposable plant material (DPM), resistant plant material (RPM), biomass, humus and inert C, are also compared to the SOC dynamics measured in different soil size fractions. These fractions are > 50 μm (particulate organic matter), 2-50 μm (silt associated SOC) and <2 μm (clay associated SOC). Other authors had shown that the RPM pool of the model corresponds well to SOC measured in the soil size fraction > 50 μm and the sum of the other pools corresponds well to the SOC measured in the soil size fraction < 50 μm. Default model applications show that the model underestimates the fast drop in forest C stocks in the first 20 years after land-use change and overestimates the C accumulation of maize C. Several hypotheses were tested to evaluate the simulations. Input data and internal model parameter uncertainties had minor effects on the simulations results. Accounting for erosion and implementing a simple tillage routine did not improve the simulation fit to the data. We therefore hypothesize that a generic process that is not yet explicitly accounted for in the ROTHC model could explain the loss in soil C after land use change. Such a process could be the loss of the physical protection of soil organic matter as would be observed following cultivation of a previously uncultivated soil. Under native conditions a fraction of organic matter is protected in stable soil aggregates. These aggregates are physically disrupted by continuous and repeated cultivation of the soil. The underestimation of SOC loss by the model can be mainly attributed to the slow turnover of the humus pool. This pool was shown to represent mainly the SOC associated with the silt and clay soil fraction. Here, the clay associated SOC shows as similar turnover time as the humus pool in the model. We split the humus pool into a clay and a silt associated pool. The clay pool now corresponds to the clay associated SOC with the turnover time of the humus pool. The silt pool now corresponds to the silt associated SOC. From the measurements, the latter has a turnover time similar to the turnover time of the particulate organic matter. We therefore use the turnover time of the RPM pool for the silt pool. These modifications improve the simulations of the forest derived C significantly and improve the simulations of the maize derived C. Future work will further evaluate and refine this approach to eventually capture the SOC dynamics associated with physical protection, including the effect of tillage/no-tillage, in a simple approach.

Modeling the basal melting and marine ice accretion of the Amery Ice Shelf

NASA Astrophysics Data System (ADS)

Galton-Fenzi, B. K.; Hunter, J. R.; Coleman, R.; Marsland, S. J.; Warner, R. C.

2012-09-01

The basal mass balance of the Amery Ice Shelf (AIS) in East Antarctica is investigated using a numerical ocean model. The main improvements of this model over previous studies are the inclusion of frazil formation and dynamics, tides and the use of the latest estimate of the sub-ice-shelf cavity geometry. The model produces a net basal melt rate of 45.6 Gt year-1 (0.74 m ice year-1) which is in good agreement with reviewed observations. The melting at the base of the ice shelf is primarily due to interaction with High Salinity Shelf Water created from the surface sea-ice formation in winter. The temperature difference between the coldest waters created in the open ocean and the in situ freezing point of ocean water in contact with the deepest part of the AIS drives a melt rate that can exceed 30 m of ice year-1. The inclusion of frazil dynamics is shown to be important for both melting and marine ice accretion (refreezing). Frazil initially forms in the supercooled water layer adjacent to the base of the ice shelf. The net accretion of marine ice is 5.3 Gt year-1, comprised of 3.7 Gt year-1 of frazil accretion and 1.6 Gt year-1 of direct basal refreezing.

Impact of ice-shelf sediment content on the dynamics of plumes under melting ice shelves

NASA Astrophysics Data System (ADS)

Wells, A.

2015-12-01

When a floating ice shelf melts into an underlying warm salty ocean, the resulting fresh meltwater can rise in a buoyant Ice-Shelf-Water plume under the ice. In certain settings, ice flowing across the grounding line carries a basal layer of debris rich ice, entrained via basal freezing around till in the upstream ice sheet. Melting of this debris-laden ice from floating ice shelves provides a flux of dense sediment to the ocean, in addition to the release of fresh buoyant meltwater. This presentation considers the impact of the resulting suspended sediment on the dynamics of ice shelf water plumes, and identifies two key flow regimes depending on the sediment concentration frozen into the basal ice layer. For large sediment concentration, melting of the debris-laden ice shelf generates dense convectively unstable waters that drive convective overturning into the underlying ocean. For lower sediment concentration, the sediment initially remains suspended in a buoyant meltwater plume rising along the underside of the ice shelf, before slowly depositing into the underlying ocean. A theoretical plume model is used to evaluate the significance of the negatively buoyant sediment on circulation strength and the feedbacks on melting rate, along with the expected depositional patterns under the ice shelf.

Anomalous diffusion of water molecules at grain boundaries in ice Ih.

PubMed

Moreira, Pedro Augusto Franco Pinheiro; Veiga, Roberto Gomes de Aguiar; Ribeiro, Ingrid de Almeida; Freitas, Rodrigo; Helfferich, Julian; de Koning, Maurice

2018-05-23

Using ab initio and classical molecular dynamics simulations, we study pre-melting phenomena in pristine coincident-site-lattice grain boundaries (GBs) in proton-disordered hexagonal ice Ih at temperatures just below the melting point Tm. Concerning pre-melt-layer thicknesses, the results are consistent with the available experimental estimates for low-disorder impurity-free GBs. With regard to molecular mobility, the simulations provide a key new insight: the translational motion of the water molecules is found to be subdiffusive for time scales from ∼10 ns up to at least 0.1 μs. Moreover, the fact that the anomalous diffusion occurs even at temperatures just below Tm where the bulk supercooled liquid still diffuses normally suggests that it is related to the confinement of the GB pre-melt layers by the surrounding crystalline environment. Furthermore, we show that this behavior can be characterized by continuous-time random walk models in which the waiting-time distributions decay according to power-laws that are very similar to those describing dynamics in glass-forming systems.

Operation of Kelvin Effect in the Activities of an Antifreeze Protein: A Molecular Dynamics Simulation Study.

PubMed

Midya, Uday Sankar; Bandyopadhyay, Sanjoy

2018-03-29

Ice growth and melting inhibition activities of antifreeze proteins (AFPs) are better explained by the adsorption-inhibition mechanism. Inhibition occurs as a result of the Kelvin effect induced by adsorbed protein molecules onto the surface of seed ice crystal. However, the Kelvin effect has not been explored by the state-of-the-art experimental techniques. In this work, atomistic molecular dynamics simulations have been carried out with Tenebrio molitor antifreeze protein ( TmAFP) placed at ice-water interface to probe the Kelvin effect in the mechanism of AFPs. Simulations show that, below equilibrium melting temperature, ice growth is inhibited through the convex ice-water interface formation toward the water phase and, above equilibrium melting temperature, ice melting is inhibited through the concave ice-water interface formation inward to ice phase. Simulations further reveal that the radius of curvature of the interface formed to stop the ice growth increases with decrease in the degree of supercooling. Our results are in qualitative agreement with the theoretical prediction of the Kelvin effect and thus reveal its operation in the activities of AFPs.

Molecular Dynamics Simulations of Shock Wave Propagation across the Nitromethane Crystal-Melt Interface

NASA Astrophysics Data System (ADS)

Jiang, Shan; Sewell, Thomas D.; Thompson, Donald L.

2015-06-01

We are interested in understanding the fundamental processes that occur during propagation of shock waves across the crystal-melt interface in molecular substances. We have carried out molecular dynamics simulations of shock passage from the nitromethane (100)-oriented crystal into the melt and vice versa using the fully flexible, non-reactive Sorescu, Rice, and Thompson force field. A stable interface was established for a temperature near the melting point by using a combination of isobaric-isothermal (NPT) and isochoric-isothermal (NVT) simulations. The equilibrium bulk and interfacial regions were characterized using spatial-temporal distributions of molecular number density, kinetic and potential energy, and C-N bond orientations. Those same properties were calculated as functions of time during shock propagation. As expected, the local temperatures (intermolecular, intramolecular, and total) and stress states differed significantly between the liquid and crystal regions and depending on the direction of shock propagation. Substantial differences in the spatial distribution of shock-induced defect structures in the crystalline region were observed depending on the direction of shock propagation. Research supported by the U.S. Army Research Office.

Generation of Well-Relaxed All-Atom Models of Large Molecular Weight Polymer Melts: A Hybrid Particle-Continuum Approach Based on Particle-Field Molecular Dynamics Simulations.

PubMed

De Nicola, Antonio; Kawakatsu, Toshihiro; Milano, Giuseppe

2014-12-09

A procedure based on Molecular Dynamics (MD) simulations employing soft potentials derived from self-consistent field (SCF) theory (named MD-SCF) able to generate well-relaxed all-atom structures of polymer melts is proposed. All-atom structures having structural correlations indistinguishable from ones obtained by long MD relaxations have been obtained for poly(methyl methacrylate) (PMMA) and poly(ethylene oxide) (PEO) melts. The proposed procedure leads to computational costs mainly related on system size rather than to the chain length. Several advantages of the proposed procedure over current coarse-graining/reverse mapping strategies are apparent. No parametrization is needed to generate relaxed structures of different polymers at different scales or resolutions. There is no need for special algorithms or back-mapping schemes to change the resolution of the models. This characteristic makes the procedure general and its extension to other polymer architectures straightforward. A similar procedure can be easily extended to the generation of all-atom structures of block copolymer melts and polymer nanocomposites.

Melting temperatures of MgO under high pressure by micro-texture analysis

PubMed Central

Kimura, T.; Ohfuji, H.; Nishi, M.; Irifune, T.

2017-01-01

Periclase (MgO) is the second most abundant mineral after bridgmanite in the Earth's lower mantle, and its melting behaviour under pressure is important to constrain rheological properties and melting behaviours of the lower mantle materials. Significant discrepancies exist between the melting temperatures of MgO determined by laser-heated diamond anvil cell (LHDAC) and those based on dynamic compressions and theoretical predictions. Here we show the melting temperatures in earlier LHDAC experiments are underestimated due to misjudgment of melting, based on micro-texture observations of the quenched samples. The high melting temperatures of MgO suggest that the subducted cold slabs should have higher viscosities than previously thought, suggesting that the inter-connecting textural feature of MgO would not play important roles for the slab stagnation in the lower mantle. The present results also predict that the ultra-deep magmas produced in the lower mantle are peridotitic, which are stabilized near the core–mantle boundary. PMID:28580945

Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers

PubMed Central

2017-01-01

The motion of nanoparticles (NPs) in entangled melts of linear polymers and nonconcatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a and is related to the hopping diffusion of NPs in the entanglement network. In contrast to the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled nonconcatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers. PMID:28392603

Many Body Effects on Particle Diffusion in Polymer Nanocomposites

NASA Astrophysics Data System (ADS)

Dell, Zachary E.; Schweizer, Kenneth S.

2014-03-01

Recent statistical mechanical theories of nanoparticle motion in polymer melts and networks have focused on the dilute particle limit. By combining PRISM theory predictions for microscopic structural correlations, and a new formulation of self-consistent dynamical mode coupling theory, we extend dilute theories to finite filler loading. As a minimalist model, the polymer dynamics are first assumed to be unperturbed by the presence of the nanoparticles. The long time particle diffusivity in unentangled and entangled melts is determined as a function of polymer tube diameter and radius of gyration, nanoparticle diameter, and polymer-filler attraction strength under both constant volume and constant pressure situations. The influence of nanocomposite statistical structure (depletion, steric stabilization, bridging) on dynamics is also investigated. Using recent theoretical developments for predicting tube diameters in nanocomposites, the consequences of filler-induced tube dilation on nanoparticle motion is established. In entangled melts, increasing filler loading first modestly speeds up diffusion, and then dramatically when the inter-filler separation becomes smaller than the tube diameter. At very high loadings, a filler glass transition is generically predicted.

Hydrogen Transport and Rationalization of Porosity Formation during Welding of Titanium Alloys

NASA Astrophysics Data System (ADS)

Huang, Jianglin; Warnken, Nils; Gebelin, Jean-Christophe; Strangwood, Martin; Reed, Roger C.

2012-02-01

The transport of hydrogen during fusion welding of the titanium alloy Ti-6Al4V is analyzed. A coupled thermodynamic/kinetic treatment is proposed for the mass transport within and around the weld pool. The modeling indicates that hydrogen accumulates in the weld pool as a consequence of the thermodynamic driving forces that arise; a region of hydrogen depletion exists in cooler, surrounding regions in the heat-affected zone and beyond. Coupling with a hydrogen diffusion-controlled bubble growth model is used to simulate bubble growth in the melt and, thus, to make predictions of the hydrogen concentration barrier needed for pore formation. The effects of surface tension of liquid metal and the radius of preexisting microbubble size on the barrier are discussed. The work provides insights into the mechanism of porosity formation in titanium alloys.

Numerical Simulations on the Laser Spot Welding of Zirconium Alloy Endplate for Nuclear Fuel Bundle Assembly

NASA Astrophysics Data System (ADS)

Satyanarayana, G.; Narayana, K. L.; Boggarapu, Nageswara Rao

2018-03-01

In the nuclear industry, a critical welding process is joining of an end plate to a fuel rod to form a fuel bundle. Literature on zirconium welding in such a critical operation is limited. A CFD model is developed and performed for the three-dimensional non-linear thermo-fluid analysis incorporating buoyancy and Marnangoni stress and specifying temperature dependent properties to predict weld geometry and temperature field in and around the melt pool of laser spot during welding of a zirconium alloy E110 endplate with a fuel rod. Using this method, it is possible to estimate the weld pool dimensions for the specified laser power and laser-on-time. The temperature profiles will estimate the HAZ and microstructure. The adequacy of generic nature of the model is validated with existing experimental data.

Melting of iron determined by X-ray absorption spectroscopy to 100 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aquilanti, Giuliana; Trapananti, Angela; Karandikar, Amol

2015-09-14

There is a long-standing controversy over the melting curve of Fe at high pressure as determined from static laser heated diamond anvil cell and dynamic compression studies. X-ray absorption spectroscopy measurements are used here as a criterion to detect melting under pressure. Confronted with a diversity of obtained melting curves, this technique, used at such pressure and temperature conditions, is eligible to be at the forefront to probe Earth's deep interior. Furthermore, the experiment reported here holds promise for addressing important issues related to the structure and phase diagram of compressed melts, such as the existence of structural complexity (polyamorphism)more » in the liquid phase or the extent of icosahedral ordering whose investigation has been limited until now to ambient conditions.« less

Dynamic compression of minerals in the magnesium oxide-iron oxide-silicon dioxide system

NASA Astrophysics Data System (ADS)

Akins, Joseph A.

The first shock wave experiments performed on silicate materials were reported for quartz in 1962. The intervening forty years have allowed for extensive investigation of SiO2 by dynamic, static and theoretical means. Previous studies have concluded that quartz transforms completely to stishovite at ˜40 GPa and melts at ˜115 GPa along its Hugoniot. Recent discoveries that SiO2 transforms to phases slightly more dense than stishovite have led to a reexamination of the dynamic compression of SiO2 in this thesis. Based on comparing calculated Hugoniots to data for multiple initial SiO2 phases, it is proposed that, in addition to the stishovite and melt transitions, quartz is completely transformed to the CaCl2 structure at ˜70 GPa. Coesite shows evidence of complete transformation to stishovite at ˜50 GPa, and to the CaCl 2 structure at ˜65 GPa. Due to the higher temperature achieved in the quartz samples the slope of the stishovite-CaCl2 phase boundary is constrained to be ˜180 K/GPa. From a similar analysis of Hugoniot data collected for high quality MgSiO 3 natural crystal and synthetic glass in this study, and existing data, it is concluded that along the crystal Hugoniot akimotoite is attained at ˜70 GPa, perovskite structure at ˜110 GPa and melt at ˜170 GPa. It is found that the melt is 2--3% denser than the solid at pressures greater than 100 GPa, after correcting for thermal differences in the two regimes. An important implication is a negative Clapeyron slope, leading to a decreasing melting temperature with increasing pressure, above ˜100 GPa. These observations increase the possibility of the existence of a significant amount of partial melt in the lowermost mantle, e.g., the ultra low velocity zone.

Direct observations of evolving subglacial drainage beneath the Greenland Ice Sheet.

PubMed

Andrews, Lauren C; Catania, Ginny A; Hoffman, Matthew J; Gulley, Jason D; Lüthi, Martin P; Ryser, Claudia; Hawley, Robert L; Neumann, Thomas A

2014-10-02

Seasonal acceleration of the Greenland Ice Sheet is influenced by the dynamic response of the subglacial hydrologic system to variability in meltwater delivery to the bed via crevasses and moulins (vertical conduits connecting supraglacial water to the bed of the ice sheet). As the melt season progresses, the subglacial hydrologic system drains supraglacial meltwater more efficiently, decreasing basal water pressure and moderating the ice velocity response to surface melting. However, limited direct observations of subglacial water pressure mean that the spatiotemporal evolution of the subglacial hydrologic system remains poorly understood. Here we show that ice velocity is well correlated with moulin hydraulic head but is out of phase with that of nearby (0.3-2 kilometres away) boreholes, indicating that moulins connect to an efficient, channelized component of the subglacial hydrologic system, which exerts the primary control on diurnal and multi-day changes in ice velocity. Our simultaneous measurements of moulin and borehole hydraulic head and ice velocity in the Paakitsoq region of western Greenland show that decreasing trends in ice velocity during the latter part of the melt season cannot be explained by changes in the ability of moulin-connected channels to convey supraglacial melt. Instead, these observations suggest that decreasing late-season ice velocity may be caused by changes in connectivity in unchannelized regions of the subglacial hydrologic system. Understanding this spatiotemporal variability in subglacial pressures is increasingly important because melt-season dynamics affect ice velocity beyond the conclusion of the melt season.

Melting of Fe and Fe0.9Ni0.1 alloy at high pressures

NASA Astrophysics Data System (ADS)

Zhang, D.; Jackson, J. M.; Zhao, J.; Sturhahn, W.; Alp, E. E.; Hu, M. Y.; Toellner, T.

2014-12-01

Cosmochemical studies suggest that the cores of terrestrial planets are primarily composed of Fe alloyed with about 5 to 10 wt% Ni, plus some light elements (e.g., McDonough and Sun 1995). Thus, the high pressure melting curve of Fe0.9Ni0.1 is considered to be an important reference for characterizing the cores of terrestrial planets. We have determined the melting points of fcc-structured Fe and Fe0.9Ni0.1 up to 86 GPa using an in-situ method that monitors the atomic dynamics of the Fe atoms in the sample, synchrotron Mössbauer spectroscopy (Jackson et al. 2013). A laser heated diamond anvil cell is used to provide the high pressure-high temperature environmental conditions, and in-situ X-ray diffraction is used to constrain the pressure of the sample. To eliminate the influence of temperature fluctuations experienced by the sample on the determination of melting, we develop a Fast Temperature Readout (FasTeR) spectrometer. The FasTeR spectrometer features a fast reading rate (>100 Hz), a high sensitivity, a large dynamic range and a well-constrained focus. By combining the melting curve of fcc-structured Fe0.9Ni0.1 alloy determined in our study and the fcc-hcp phase boundary from Komabayashi et al. (2012), we calculate the fcc-hcp-liquid triple point of Fe0.9Ni0.1. Using this triple point and the thermophysical parameters from a nuclear resonant inelastic X-ray scattering study on hcp-Fe (Murphy et al. 2011), we compute the melting curve of hcp-structured Fe0.9Ni0.1. We will discuss our new experimental results with implications for the cores of Venus, Earth and Mars. Select references: McDonough & Sun (1995): The composition of the Earth. Chem. Geol. 120, 223-253. Jackson et al. (2013): Melting of compressed iron by monitoring atomic dynamics, EPSL, 362, 143-150. Komabayashi et al. (2012): In situ X-ray diffraction measurements of the fcc-hcp phase transition boundary of an Fe-Ni alloy in an internally heated diamond anvil cell, PCM, 39, 329-338. Murphy et al. (2011): Melting and thermal pressure of hcp-Fe from the phonon density of states, PEPI, 188, 114-120.

The Atlantic Meridional Overturning Circulation Stability Influenced by the Melting of the Greenland Ice Sheet under Various Warming Scenarios

NASA Astrophysics Data System (ADS)

Gierz, P.; Lohmann, G.; Wei, W.; Barbi, D.

2012-12-01

In this study, we aim to model melting processes of the Greenland ice sheet over the next 1000 years using the Earth system model COSMOS with a dynamic ice sheet module. Of primary interest is the resulting impact on the Atlantic meridional overturning circulation (GMOC/AMOC), which is expected to slow in response to a large freshwater (eg melt water) input. Six warming scenarios will be considered, one set corresponding to the IPCC's RPC Scenario 6, and another set corresponding to RPC Scenario 4.5, each time with 0.5, 1, and 2% increase of greenhouse gas concentration per year. It is expected that the freshwater input will slow down the AMOC overturning; each scenario producing a unique braking signal corresponding to how rapidly the Greenland ice sheet is forced to melt. It will be interesting to see if there is a CO2 threshold level at which the slowdown of the AMOC begins and the melting phenomena becomes unstable and positively reinforces itself or instead, as previous studies have demonstrated with a prescribed amount of melting, if the freshwater input always allows for an eventual recovery of the AMOC to a stable state regardless of the rapidity with which the salinity anomalies develop. The primary difference between this set of experiments and those in previous studies shall be the dynamic nature of the ice sheet model, as we will allow the Greenland ice sheet to melt solely based upon atmospheric conditions rather than prescribing a salinity change directly into the ocean model. It is expected that higher levels of greenhouse gases will result in more rapid melting, which in turn will have a stronger braking affect on the AMOC, possibly with longer recovery times to the starting equilibrium point. It will additionally be of interest to see if it is possible to create a shift in this equilibrium, suggesting that the rapidity with which density anomalies are introduced may create a new stable deep water formation rate. PRELIMINARY RESULTS - AMOC downwelling strength with changes in dynamically modeled Ice Sheet volume. AMOC seems to decrease with varying magnitudes depending upon the rate of carbon dioxide release and the amount of meltwater generated.

Microbial models with data-driven parameters predict stronger soil carbon responses to climate change.

PubMed

Hararuk, Oleksandra; Smith, Matthew J; Luo, Yiqi

2015-06-01

Long-term carbon (C) cycle feedbacks to climate depend on the future dynamics of soil organic carbon (SOC). Current models show low predictive accuracy at simulating contemporary SOC pools, which can be improved through parameter estimation. However, major uncertainty remains in global soil responses to climate change, particularly uncertainty in how the activity of soil microbial communities will respond. To date, the role of microbes in SOC dynamics has been implicitly described by decay rate constants in most conventional global carbon cycle models. Explicitly including microbial biomass dynamics into C cycle model formulations has shown potential to improve model predictive performance when assessed against global SOC databases. This study aimed to data-constrained parameters of two soil microbial models, evaluate the improvements in performance of those calibrated models in predicting contemporary carbon stocks, and compare the SOC responses to climate change and their uncertainties between microbial and conventional models. Microbial models with calibrated parameters explained 51% of variability in the observed total SOC, whereas a calibrated conventional model explained 41%. The microbial models, when forced with climate and soil carbon input predictions from the 5th Coupled Model Intercomparison Project (CMIP5), produced stronger soil C responses to 95 years of climate change than any of the 11 CMIP5 models. The calibrated microbial models predicted between 8% (2-pool model) and 11% (4-pool model) soil C losses compared with CMIP5 model projections which ranged from a 7% loss to a 22.6% gain. Lastly, we observed unrealistic oscillatory SOC dynamics in the 2-pool microbial model. The 4-pool model also produced oscillations, but they were less prominent and could be avoided, depending on the parameter values. © 2014 John Wiley & Sons Ltd.

The melting curve of Ni to 125 GPa: implications for Earth's Fe rich core alloy

NASA Astrophysics Data System (ADS)

Lord, O. T.; Wood, I. G.; Dobson, D. P.; Vocadlo, L.; Thomson, A. R.; Wann, E.; Wang, W.; Edgington, A.; Morard, G.; Mezouar, N.; Walter, M. J.

2014-12-01

The melting curve of Ni has been determined to 125 GPa using laser-heated diamond anvil cell (LH-DAC) experiments and two melting criteria: the appearance of liquid diffuse scattering (LDS) during in situ X-ray diffraction (XRD) and simultaneous plateaux in temperature vs. laser power functions [1]. Our melting curve (Fig. 1) is in good agreement with most theoretical studies [e.g. 2] and the available shock wave data (Fig. 2). It is, however, dramatically steeper than the previous off-line LH-DAC studies in which the determination of melting was based on the visual observation of motion aided by the laser speckle method [e.g. 3]. We estimate the melting point of Ni at the inner-core boundary (ICB; 330 GPa) to be 5800±700 K (2σ), ~2500 K higher than the estimate based on the laser speckle method [3] and within error of Fe (6230±500 K) as determined in a similar in situ LH-DAC study [4]. We find that laser speckle based melting curves coincide with the onset of rapid sub-solidus recrystallization, suggesting that visual observations of motion may have misinterpreted dynamic recrystallization as melt convection. Our new melting curve suggests that the reduction in ICB temperature due to the alloying of Ni with Fe is likely to be significantly smaller than would be expected had the earlier experimental Ni melting studies been correct. We have applied our methodology to a range of other transition metals (Mo, Ti, V, Cu). In the case of Mo, Ti and V the melting curves are in good agreement with the shock compression and theoretical melting studies but hotter and steeper than those based on the laser speckle method, as with Ni. Cu is an exception in which all studies agree, including those employing the laser speckle method. These results go a long way toward resolving the the long-standing controversy over the phase diagrams of the transition metals as determined from static LH-DAC studies on the one hand, and theoretical and dynamic compression studies on the other. [1] Lord et al. (2014) Phys Earth Planet Inter [2] Pozzo M, Alfè D (2013) Phys Rev B, 88:024111 [3] Errandonea et al. (2001) Phys Rev B, 63:132104 [4] Anzellini et al. (2013) Science, 340:464-466

Melting processes of oligomeric α and β isotactic polypropylene crystals at ultrafast heating rates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Xiaojing; He, Xuehao, E-mail: xhhe@tju.edu.cn, E-mail: scjiang@tju.edu.cn; Jiang, Shichun, E-mail: xhhe@tju.edu.cn, E-mail: scjiang@tju.edu.cn

The melting behaviors of α (stable) and β (metastable) isotactic polypropylene (iPP) crystals at ultrafast heating rates are simulated with atomistic molecular dynamics method. Quantitative information about the melting processes of α- and β-iPP crystals at atomistic level is achieved. The result shows that the melting process starts from the interfaces of lamellar crystal through random dislocation of iPP chains along the perpendicular direction of lamellar crystal structure. In the melting process, the lamellar crystal gradually expands but the corresponding thickness decreases. The analysis shows that the system expansion lags behind the crystallinity decreasing and the lagging extents for α-more » and β-iPP are significantly different. The apparent melting points of α- and β-iPP crystals rise with the increase of the heating rate and lamellar crystal thickness. The apparent melting point of α-iPP crystal is always higher than that of β-iPP at differently heating rates. Applying the Gibbs-Thomson rule and the scaling property of the melting kinetics, the equilibrium melting points of perfect α- and β-iPP crystals are finally predicted and it shows a good agreement with experimental result.« less

Electron-Beam Atomic Spectroscopy for In Situ Measurements of Melt Composition for Refractory Metals: Analysis of Fundamental Physics and Plasma Models

NASA Astrophysics Data System (ADS)

Gasper, Paul Joseph; Apelian, Diran

2015-04-01

Electron-beam (EB) melting is used for the processing of refractory metals, such as Ta, Nb, Mo, and W. These metals have high value and are critical to many industries, including the semiconductor, aerospace, and nuclear industries. EB melting can also purify secondary feedstock, enabling the recovery and recycling of these materials. Currently, there is no method for measuring melt composition in situ during EB melting. Optical emission spectroscopy of the plasma generated by EB impact with vapor above the melt, a technique here termed electron-beam atomic spectroscopy, can be used to measure melt composition in situ, allowing for analysis of melt dynamics, facilitating improvement of EB melting processes and aiding recycling and recovery of these critical and high-value metals. This paper reviews the physics of the plasma generation by EB impact by characterizing the densities and energies of electrons, ions, and neutrals, and describing the interactions between them. Then several plasma models are introduced and their suitability to this application analyzed. Lastly, a potential method for calibration-free composition measurement is described and the challenges for implementation addressed.

A model for foam formation, stability, and breakdown in glass-melting furnaces.

PubMed

van der Schaaf, John; Beerkens, Ruud G C

2006-03-01

A dynamic model for describing the build-up and breakdown of a glass-melt foam is presented. The foam height is determined by the gas flux to the glass-melt surface and the drainage rate of the liquid lamellae between the gas bubbles. The drainage rate is determined by the average gas bubble radius and the physical properties of the glass melt: density, viscosity, surface tension, and interfacial mobility. Neither the assumption of a fully mobile nor the assumption of a fully immobile glass-melt interface describe the observed foam formation on glass melts adequately. The glass-melt interface appears partially mobile due to the presence of surface active species, e.g., sodium sulfate and silanol groups. The partial mobility can be represented by a single, glass-melt composition specific parameter psi. The value of psi can be estimated from gas bubble lifetime experiments under furnace conditions. With this parameter, laboratory experiments of foam build-up and breakdown in a glass melt are adequately described, qualitatively and quantitatively by a set of ordinary differential equations. An approximate explicit relationship for the prediction of the steady-state foam height is derived from the fundamental model.

Ferrobasalt-rhyolite immiscibility in tholeiitic volcanic and plutonic series (Invited)

NASA Astrophysics Data System (ADS)

Charlier, B.; Namur, O.; Kamenetsky, V. S.; Grove, T. L.

2013-12-01

One atmosphere experiments show that silicate liquid immiscibility develops between Fe-rich and Si-rich melts below 1000-1020°C in compositionally diverse lavas that represent classical tholeiitic trends, such as Mull, Iceland, Snake River Plain and Sept Iles. Extreme iron enrichment along the evolution trend is not necessary; immiscibility also develops during iron depletion and silica enrichment after Fe-Ti oxide saturation. Natural liquid lines of descent for major tholeiitic series also approach or intersect the experimentally-defined compositional space of immiscibility. The importance of ferrobasalt-rhyolite unmixing in both volcanic and plutonic environments is supported by worldwide occurrence of immiscible globules in the mesostasis of erupted basalts, and by unmixed melt inclusions in cumulus phases of major layered intrusions such as Sept Iles, Skaergaard and Sudbury. A clear case of liquid immiscibility is also recorded in intrusive tholeiitic gabbros from the Siberian Large Igneous Province and is evidenced by textures and compositions of millimeter-sized silicate melt pools trapped in native iron. An important implication of immiscibility in natural ferrobasaltic provinces is the development of a compositional gap characterized by the absence of intermediate compositions, a major feature observed in many tholeiitic provinces and referred to as the Daly gap. The compositions of experimental silica-rich immiscible melts coincide with those of natural rhyolites with high FeOtot and low Al2O3, which suggests a potential role for large-scale immiscibility in the petrogenesis of late-stage ferroan silicic melts. No evidence for the paired ferrobasaltic melt is observed in volcanic provinces, probably because of its uneruptable characteristics. Instead, Fe-Ti×P-rich gabbros crystallized at depth and are the cumulate products of immiscible Fe-rich melts in plutonic settings, a feature clearly evidenced in the Sept Iles intrusion. The production of immiscible Fe-Ti-Ca-P liquids has also important implications for the formation of some iron deposits associated with alkaline lavas.

Effects of counterion size and backbone rigidity on the dynamics of ionic polymer melts and glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Yao; Bocharova, Vera; Ma, Mengze

Backbone rigidity, counterion size and the static dielectric constant affect the glass transition temperature, segmental relaxation time and decoupling between counterion and segmental dynamics in significant manners.

Molecular Dynamics Modeling of Thermal Properties of Aluminum Near Melting Line

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karavaev, A. V.; Dremov, V. V.; Sapozhnikov, F. A.

2006-08-03

In this work we present results of calculations of thermal properties of solid and liquid phases of aluminum at different densities and temperatures using classical molecular dynamics with EAM potential function. Dependencies of heat capacity CV on temperature and density have been analyzed. It was shown that when temperature increases, heat capacity CV behavior deviates from that by Dulong-Petit law. It may be explained by influence of anharmonicity of crystal lattice vibrations. Comparison of heat capacity CV of liquid phase with Grover's model has been performed. Dependency of aluminum melting temperature on pressure has been acquired.

Experimental research on the dynamic behaviors of the keyhole and molten pool in laser deep-penetration welding

NASA Astrophysics Data System (ADS)

Zhang, Yi; Lin, Qida; Yin, Xuni; Li, Simeng; Deng, Jiquan

2018-04-01

Both the morphology and temperature are two important characteristics of the keyhole and the molten pool in laser deep-penetration welding. The modified ‘sandwich’ method was adopted to overcome the difficulty in obtaining inner information about the keyhole and the molten pool. Based on this method, experimental platforms were built for observing the variations in the surface morphology, the longitudinal keyhole profile and the internal temperature. The experimental results of three dynamic behaviors exbibit as follows. The key factor, which makes the pool width go into a quasi-steady state, lies in the balance between the vortex and the sideways flows around the keyhole. Experimental observation shows that the keyhole goes through three stages in laser welding: the rapid drilling stage, the slow drilling stage and the quasi-steady state. The time for achieving a relative fixed keyhole depth is close to the formation time of the maximum pool width. The internal temperatures inside the keyhole and the molten pool first experience a rapid increase, then a decrease and finally go into a quasi-steady state. Compared to that in the unstable stage, the liquid–metal uphill formed in the stable stage of laser welding has less influence on the internal temperature.

Finding the Missing Physics: Simulating Polydisperse Polymer Melts

NASA Astrophysics Data System (ADS)

Rorrer, Nichoals; Dorgan, John

2014-03-01

A Monte Carlo algorithm has been developed to model polydisperse polymer melts. For the first time, this enables the specification of a predetermined molecular weight distribution for lattice based simulations. It is demonstrated how to map an arbitrary probability distributions onto a discrete number of chains residing on an fcc lattice. The resulting algorithm is able to simulate a wide variety of behaviors for polydisperse systems including confinement effects, shear flow, and parabolic flow. The dynamic version of the algorithm accurately captures Rouse dynamics for short polymer chains, and reptation-like dynamics for longer chain lengths.1 When polydispersity is introduced, smaller Rouse times and broadened the transition between different scaling regimes are observed. Rouse times also decrease under confinement for both polydisperse and monodisperse systems and chain length dependent migration effects are observed. The steady-state version of the algorithm enables the simulation of flow and when polydisperse systems are subject to parabolic (Poiseulle) flow, a migration phenomenon based on chain length is again present. These and other phenomena highlight the importance of including polydispersity in obtaining physically realistic simulations of polymeric melts. 1. Dorgan, J.R.; Rorrer, N.A.; Maupin, C.M., Macromolecules 2012, 45(21), 8833-8840. Work funded by the Fluid Dynamics program of the National Science Foundation under grant CBET-1067707.

The dynamic bacterial communities of a melting High Arctic glacier snowpack

PubMed Central

Hell, Katherina; Edwards, Arwyn; Zarsky, Jakub; Podmirseg, Sabine M; Girdwood, Susan; Pachebat, Justin A; Insam, Heribert; Sattler, Birgit

2013-01-01

Snow environments can occupy over a third of land surface area, but little is known about the dynamics of snowpack bacteria. The effect of snow melt on bacterial community structure and diversity of surface environments of a Svalbard glacier was examined using analyses of 16S rRNA genes via T-RFLP, qPCR and 454 pyrosequencing. Distinct community structures were found in different habitat types, with changes over 1 week apparent, in particular for the dominant bacterial class present, Betaproteobacteria. The differences observed were consistent with influences from depositional mode (snowfall vs aeolian dusts), contrasting snow with dust-rich snow layers and near-surface ice. Contrary to that, slush as the decompositional product of snow harboured distinct lineages of bacteria, further implying post-depositional changes in community structure. Taxa affiliated to the betaproteobacterial genus Polaromonas were particularly dynamic, and evidence for the presence of betaproteobacterial ammonia-oxidizing bacteria was uncovered, inviting the prospect that the dynamic bacterial communities associated with snowpacks may be active in supraglacial nitrogen cycling and capable of rapid responses to changes induced by snowmelt. Furthermore the potential of supraglacial snowpack ecosystems to respond to transient yet spatially extensive melting episodes such as that observed across most of Greenland's ice sheet in 2012 merits further investigation. PMID:23552623

The dynamic bacterial communities of a melting High Arctic glacier snowpack.

PubMed

Hell, Katherina; Edwards, Arwyn; Zarsky, Jakub; Podmirseg, Sabine M; Girdwood, Susan; Pachebat, Justin A; Insam, Heribert; Sattler, Birgit

2013-09-01

Snow environments can occupy over a third of land surface area, but little is known about the dynamics of snowpack bacteria. The effect of snow melt on bacterial community structure and diversity of surface environments of a Svalbard glacier was examined using analyses of 16S rRNA genes via T-RFLP, qPCR and 454 pyrosequencing. Distinct community structures were found in different habitat types, with changes over 1 week apparent, in particular for the dominant bacterial class present, Betaproteobacteria. The differences observed were consistent with influences from depositional mode (snowfall vs aeolian dusts), contrasting snow with dust-rich snow layers and near-surface ice. Contrary to that, slush as the decompositional product of snow harboured distinct lineages of bacteria, further implying post-depositional changes in community structure. Taxa affiliated to the betaproteobacterial genus Polaromonas were particularly dynamic, and evidence for the presence of betaproteobacterial ammonia-oxidizing bacteria was uncovered, inviting the prospect that the dynamic bacterial communities associated with snowpacks may be active in supraglacial nitrogen cycling and capable of rapid responses to changes induced by snowmelt. Furthermore the potential of supraglacial snowpack ecosystems to respond to transient yet spatially extensive melting episodes such as that observed across most of Greenland's ice sheet in 2012 merits further investigation.

The Deep Crust Magmatic Refinery, Part 1: A Coupled Thermodynamic and Two-phase Flow Model

NASA Astrophysics Data System (ADS)

Riel, N., Jr.; Bouilhol, P.; Van Hunen, J.; Velic, M.; Magni, V.

2016-12-01

Metamorphic and magmatic processes occurring in the deep crust ultimately control the chemical and physical characteristic of the continental crust. A complex interplay between magma intrusion, crystallization, and reaction with the pre-existing crust provide a wide range of differentiated magma and cumulates (and / or restites) that will feed the upper crustal levels with evolved melt while constructing the lower crust. With growing evidence from field and experimental studies, it becomes clearer that crystallization and melting processes are non-exclusive but should be considered together. Incoming H2O bearing mantle melts will start to fractionate to a certain extent, forming cumulates but also releasing heat and H2O to the intruded host-rock allowing it to melt in saturated conditions. The end-result of such dynamic system is a function of the amount and composition of melt input, and extent of reaction with the host which is itself dependent on the migration mode of the melts. To assess the dynamics of this deep magmatic system we developed a new 2-D two-phase flow code using finite volume method. Our formulation takes into account: (i) melt flow through a viscous porous matrix with temperature- and melt-content dependent host-rock viscosity, (ii) heat transfer, assuming local thermal equilibrium between solid and liquid, (iii) thermodynamic modelling of stable phases, (iv) injection of fractionated melt from crystallizing basalt at the Moho and (v) chemical advection of both the solid and liquid compositions. Here we present the core of our modelling approach, especially the petrological implementation. We show in details that our thermodynamic model can reproduce well both the sub- and supra solidus phase relationship and composition of the host-rock. We apply our method to an idealized amphibolite lower crust that is affected by a magmatic event represented by the intrusion of a wet mantle melt into the crust at Moho depth. The models [see Bouilhol et al. associated abstract for results] allow calculating the different proportion of phases present in the system through time.

Sensitivity analysis of sea level rise contribution depending on external forcing: A case study of Victoria Land, East Antarctica.

NASA Astrophysics Data System (ADS)

Park, I. W.; Lee, S. H.; Lee, W. S.; Lee, C. K.; Lee, K. K.

2017-12-01

As global mean temperature increases, it affects increase in polar glacier melt and thermal expansion of sea, which contributed to global sea level rise. Unlike large sea level rise contributors in Western Antarctica (e. g. Pine island glacier, Thwaites glacier), glaciers in East Antarctica shows relatively stable and slow ice velocity. However, recent calving events related to increase of supraglacier lake in Nansen ice shelf arouse the questions in regards to future evolution of ice dynamics at Victoria Land, East Antarctica. Here, using Ice Sheet System Model (ISSM), a series of numerical simulations were carried out to investigate ice dynamics evolution (grounding line migration, ice velocity) and sea level rise contribution in response to external forcing conditions (surface mass balance, floating ice melting rate, and ice front retreat). In this study, we used control method to set ice dynamic properties (ice rigidity and friction coefficient) with shallow shelf approximation model and check each external forcing conditions contributing to sea level change. Before 50-year transient simulations were conducted based on changing surface mass balance, floating ice melting rate, and ice front retreat of Drygalski ice tongue and Nansen ice shelf, relaxation was performed for 10 years to reduce non-physical undulation and it was used as initial condition. The simulation results showed that sea level rise contribution were expected to be much less compared to other fast glaciers. Floating ice melting rate was most sensitive parameter to sea level rise, while ice front retreat of Drygalski tongue was negligible. The regional model will be further updated utilizing ice radar topography and measured floating ice melting rate.

Modelling seasonal meltwater forcing of the velocity of land-terminating margins of the Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Koziol, Conrad P.; Arnold, Neil

2018-03-01

Surface runoff at the margin of the Greenland Ice Sheet (GrIS) drains to the ice-sheet bed, leading to enhanced summer ice flow. Ice velocities show a pattern of early summer acceleration followed by mid-summer deceleration due to evolution of the subglacial hydrology system in response to meltwater forcing. Modelling the integrated hydrological-ice dynamics system to reproduce measured velocities at the ice margin remains a key challenge for validating the present understanding of the system and constraining the impact of increasing surface runoff rates on dynamic ice mass loss from the GrIS. Here we show that a multi-component model incorporating supraglacial, subglacial, and ice dynamic components applied to a land-terminating catchment in western Greenland produces modelled velocities which are in reasonable agreement with those observed in GPS records for three melt seasons of varying melt intensities. This provides numerical support for the hypothesis that the subglacial system develops analogously to alpine glaciers and supports recent model formulations capturing the transition between distributed and channelized states. The model shows the growth of efficient conduit-based drainage up-glacier from the ice sheet margin, which develops more extensively, and further inland, as melt intensity increases. This suggests current trends of decadal-timescale slowdown of ice velocities in the ablation zone may continue in the near future. The model results also show a strong scaling between average summer velocities and melt season intensity, particularly in the upper ablation area. Assuming winter velocities are not impacted by channelization, our model suggests an upper bound of a 25 % increase in annual surface velocities as surface melt increases to 4 × present levels.

Comparison of Chain Conformation of Poly(vinyl alcohol) in Solutions and Melts from Quantum Chemistry Based Molecular Dynamics Simulations

NASA Technical Reports Server (NTRS)

Jaffe, Richard; Han, Jie; Matsuda, Tsunetoshi; Yoon, Do; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Confirmations of 2,4-dihydroxypentane (DHP), a model molecule for poly(vinyl alcohol), have been studied by quantum chemistry (QC) calculations and molecular dynamics (MD) simulations. QC calculations at the 6-311G MP2 level show the meso tt conformer to be lowest in energy followed by the racemic tg, due to intramolecular hydrogen bond between the hydroxy groups. The Dreiding force field has been modified to reproduce the QC conformer energies for DHP. MD simulations using this force field have been carried out for DHP molecules in the gas phase, melt, and CHCl3 and water solutions. Extensive intramolecular hydrogen bonding is observed for the gas phase and CHCl3 solution, but not for the melt or aqueous solution, Such a condensed phase effect due to intermolecular interactions results in a drastic change in chain conformations, in agreement with experiments.

A study of metal-ceramic wettability in SiC-Al using dynamic melt infiltration of SiC

NASA Technical Reports Server (NTRS)

Asthana, R.; Rohatgi, P. K.

1993-01-01

Pressure-assisted infiltration with a 2014 Al alloy of plain and Cu-coated single crystal platelets of alpha silicon carbide was used to study particulate wettability under dynamic conditions relevant to pressure casting of metal-matrix composites. The total penetration length of infiltrant metal in porous compacts was measured at the conclusion of solidification as a function of pressure, infiltration time, and SiC size for both plain and Cu-coated SiC. The experimental data were analyzed to obtain a threshold pressure for the effect of melt intrusion through SiC compacts. The threshold pressure was taken either directly as a measure of wettability or converted to an effective wetting angle using the Young-Laplace capillary equation. Cu coating resulted in partial but beneficial improvements in wettability as a result of its dissolution in the melt, compared to uncoated SiC.

Dynamic Response of a High Arctic Glacier to Melt and Runoff Variations

NASA Astrophysics Data System (ADS)

van Pelt, Ward J. J.; Pohjola, Veijo A.; Pettersson, Rickard; Ehwald, Lena E.; Reijmer, Carleen H.; Boot, Wim; Jakobs, Constantijn L.

2018-05-01

The dynamic response of High Arctic glaciers to increased runoff in a warming climate remains poorly understood. We analyze a 10-year record of continuous velocity data collected at multiple sites on Nordenskiöldbreen, Svalbard, and study the connection between ice flow and runoff within and between seasons. During the melt season, the sensitivity of ice motion to runoff at sites in the ablation and lower accumulation zone drops by a factor of 3 when cumulative runoff exceeds a local threshold, which is likely associated with a transition from inefficient (distributed) to efficient (channelized) drainage. Average summer (June-August) velocities are found to increase with summer ablation, while subsequent fall (September-November) velocities decrease. Spring (March-May) velocities are largely insensitive to summer ablation, which suggests a short-lived impact of summer melt on ice flow during the cold season. The net impact of summer ablation on annual velocities is found to be insignificant.

Thermophysical properties of liquid UO2, ZrO2 and corium by molecular dynamics and predictive models

NASA Astrophysics Data System (ADS)

Kim, Woong Kee; Shim, Ji Hoon; Kaviany, Massoud

2017-08-01

Predicting the fate of accident-melted nuclear fuel-cladding requires the understanding of the thermophysical properties which are lacking or have large scatter due to high-temperature experimental challenges. Using equilibrium classical molecular dynamics (MD), we predict the properties of melted UO2 and ZrO2 and compare them with the available experimental data and the predictive models. The existing interatomic potential models have been developed mainly for the polymorphic solid phases of these oxides, so they cannot be used to predict all the properties accurately. We compare and decipher the distinctions of those MD predictions using the specific property-related autocorrelation decays. The predicted properties are density, specific heat, heat of fusion, compressibility, viscosity, surface tension, and the molecular and electronic thermal conductivities. After the comparisons, we provide readily usable temperature-dependent correlations (including UO2-ZrO2 compounds, i.e. corium melt).

Dielectric Properties of Poly(ethylene oxide) from Molecular Dynamics Simulations

NASA Technical Reports Server (NTRS)

Smith, Grant D.

1994-01-01

The order, conformations and dynamics of poly(oxyethylene) (POE) melts have been investigated through molecular dynamics simulations. The potential energy functions were determined from detailed ab initio electronic structure calculations of the conformational energies of the model molecules 1,2-dimethoxyethane (DME) and diethylether. The x-ray structure factor for POE from simulation will be compared to experiment. In terms of conformation, simulations reveal that chains are extended in the melt relative to isolated chains due to the presence of strong intermolecular O...H interactions, which occur at the expense of intramolecular O...H interactions. Conformational dynamics about the C-C bond were found to be significantly faster than in polymethylene, while conformational dynamics about the C-O bond even faster than the C-C dynamics. The faster local dynamics in POE relative to polymethylene is consistent with C-13 NMR spin-lattice relaxation experiments. Conformational transitions showed significant second-neighbor correlation, as was found for polymethylene. This correlation of transitions with C-C neighbors was found to be reduced relative to C-O neighbors. Dielectric relaxation from simulation will also be compared with experiment.

Manufacturing Technology Support (MATES). Task Order 0021: Air Force Technology and Industrial Base Research and Analysis, Subtask Order 06: Direct Digital Manufacturing

DTIC Science & Technology

2011-08-01

industries and key players providing equipment include Flow and OMAX. The decision tree for waterjet machining is shown in Figure 28. Figure 28...about the melt pool. Process parameters including powder flow , laser power, and scan speed are adjusted accordingly • Multiple materials o BD...project.eu.com/home/home_page_static.jsp o Working with multiple partners; one is Cochlear . Using LMD or SLM to fabricate cochlear implants with 10

Numerical modeling of heat-transfer and the influence of process parameters on tailoring the grain morphology of IN718 in electron beam additive manufacturing

DOE PAGES

Raghavan, Narendran; Dehoff, Ryan; Pannala, Sreekanth; ...

2016-04-26

The fabrication of 3-D parts from CAD models by additive manufacturing (AM) is a disruptive technology that is transforming the metal manufacturing industry. The correlation between solidification microstructure and mechanical properties has been well understood in the casting and welding processes over the years. This paper focuses on extending these principles to additive manufacturing to understand the transient phenomena of repeated melting and solidification during electron beam powder melting process to achieve site-specific microstructure control within a fabricated component. In this paper, we have developed a novel melt scan strategy for electron beam melting of nickel-base superalloy (Inconel 718) andmore » also analyzed 3-D heat transfer conditions using a parallel numerical solidification code (Truchas) developed at Los Alamos National Laboratory. The spatial and temporal variations of temperature gradient (G) and growth velocity (R) at the liquid-solid interface of the melt pool were calculated as a function of electron beam parameters. By manipulating the relative number of voxels that lie in the columnar or equiaxed region, the crystallographic texture of the components can be controlled to an extent. The analysis of the parameters provided optimum processing conditions that will result in columnar to equiaxed transition (CET) during the solidification. Furthermore, the results from the numerical simulations were validated by experimental processing and characterization thereby proving the potential of additive manufacturing process to achieve site-specific crystallographic texture control within a fabricated component.« less

Effects of porosity on shock-induced melting of honeycomb-shaped Cu nanofoams

NASA Astrophysics Data System (ADS)

Zhao, Fengpeng

Metallic foams are of fundamental and applied interests in various areas, including structure engineering (e.g., lightweight structural members and energy absorbers), and shock physics (e.g., as laser ablators involving shock-induced melting and vaporization).Honeycomb-shaped metallic foams consist of regular array of hexagonal cells in two dimensions and have extensive applications and represent a unique, simple yet useful model structure for exploring mechanisms and making quantitative assessment. We investigate shock-induced melting in honeycomb-shaped Cu nanofoams with extensive molecular dynamics simulations. A total of ten porosities (phi) are explored, ranging from 0 to 0.9 at an increment of 0.1. Upon shock compression, void collapse induces local melting followed by supercooling for sufficiently high porosity at low shock strengths. While superheating of solid remnants occurs for sufficiently strong shocks at phi<0.1. Both supercooling of melts and superheating of solid remnants are transient, and the equilibrated shock states eventually fall on the equilibrium melting curve for partial melting. However, phase equilibrium has not been achieved on the time scale of simulations in supercooled Cu liquid (from completely melted nanofoams). The temperatures for incipient and complete melting are related to porosity via a power law and approach the melting temperature at zero pressure as phi tends to 1.

ForCent model development and testing using the Enriched Background Isotope Study experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parton, W.J.; Hanson, P. J.; Swanston, C.

The ForCent forest ecosystem model was developed by making major revisions to the DayCent model including: (1) adding a humus organic pool, (2) incorporating a detailed root growth model, and (3) including plant phenological growth patterns. Observed plant production and soil respiration data from 1993 to 2000 were used to demonstrate that the ForCent model could accurately simulate ecosystem carbon dynamics for the Oak Ridge National Laboratory deciduous forest. A comparison of ForCent versus observed soil pool {sup 14}C signature ({Delta} {sup 14}C) data from the Enriched Background Isotope Study {sup 14}C experiment (1999-2006) shows that the model correctly simulatesmore » the temporal dynamics of the {sup 14}C label as it moved from the surface litter and roots into the mineral soil organic matter pools. ForCent model validation was performed by comparing the observed Enriched Background Isotope Study experimental data with simulated live and dead root biomass {Delta} {sup 14}C data, and with soil respiration {Delta} {sup 14}C (mineral soil, humus layer, leaf litter layer, and total soil respiration) data. Results show that the model correctly simulates the impact of the Enriched Background Isotope Study {sup 14}C experimental treatments on soil respiration {Delta} {sup 14}C values for the different soil organic matter pools. Model results suggest that a two-pool root growth model correctly represents root carbon dynamics and inputs to the soil. The model fitting process and sensitivity analysis exposed uncertainty in our estimates of the fraction of mineral soil in the slow and passive pools, dissolved organic carbon flux out of the litter layer into the mineral soil, and mixing of the humus layer into the mineral soil layer.« less

Dynamics of Inorganic Nutrients in Intertidal Sediments: Porewater, Exchangeable, and Intracellular Pools

PubMed Central

Garcia-Robledo, Emilio; Bohorquez, Julio; Corzo, Alfonso; Jimenez-Arias, Juan L.; Papaspyrou, Sokratis

2016-01-01

The study of inorganic nutrients dynamics in shallow sediments usually focuses on two main pools: porewater (PW) nutrients and exchangeable (EX) ammonium and phosphate. Recently, it has been found that microphytobenthos (MPB) and other microorganisms can accumulate large amounts of nutrients intracellularly (IC), highlighting the biogeochemical importance of this nutrient pool. Storing nutrients could support the growth of autotrophs when nutrients are not available, and could also provide alternative electron acceptors for dissimilatory processes such as nitrate reduction. Here, we studied the magnitude and relative importance of these three nutrient pools (PW, IC, and EX) and their relation to chlorophylls (used as a proxy for MPB abundance) and organic matter (OM) contents in an intertidal mudflat of Cadiz Bay (Spain). MPB was localized in the first 4 mm of the sediment and showed a clear seasonal pattern; highest chlorophylls content was found during autumn and lowest during spring-summer. The temporal and spatial distribution of nutrients pools and MPB were largely correlated. Ammonium was higher in the IC and EX fractions, representing on average 59 and 37% of the total ammonium pool, respectively. Similarly, phosphate in the IC and EX fractions accounted on average for 40 and 31% of the total phosphate pool, respectively. Nitrate in the PW was low, suggesting low nitrification activity and rapid consumption. Nitrate accumulated in the IC pool during periods of moderate MPB abundance, being up to 66% of the total nitrate pool, whereas it decreased when chlorophyll concentration peaked likely due to a high nitrogen demand. EX-Nitrate accounted for the largest fraction of total sediment nitrate, 66% on average. The distribution of EX-Nitrate was significantly correlated with chlorophyll and OM, which probably indicates a relation of this pool to an increased availability of sites for ionic adsorption. This EX-Nitrate pool could represent an alternative nitrate source with significant concentrations available to the microbial community, deeper in the sediment below the oxic layer. PMID:27303370

Dynamics of Inorganic Nutrients in Intertidal Sediments: Porewater, Exchangeable, and Intracellular Pools.

PubMed

Garcia-Robledo, Emilio; Bohorquez, Julio; Corzo, Alfonso; Jimenez-Arias, Juan L; Papaspyrou, Sokratis

2016-01-01

The study of inorganic nutrients dynamics in shallow sediments usually focuses on two main pools: porewater (PW) nutrients and exchangeable (EX) ammonium and phosphate. Recently, it has been found that microphytobenthos (MPB) and other microorganisms can accumulate large amounts of nutrients intracellularly (IC), highlighting the biogeochemical importance of this nutrient pool. Storing nutrients could support the growth of autotrophs when nutrients are not available, and could also provide alternative electron acceptors for dissimilatory processes such as nitrate reduction. Here, we studied the magnitude and relative importance of these three nutrient pools (PW, IC, and EX) and their relation to chlorophylls (used as a proxy for MPB abundance) and organic matter (OM) contents in an intertidal mudflat of Cadiz Bay (Spain). MPB was localized in the first 4 mm of the sediment and showed a clear seasonal pattern; highest chlorophylls content was found during autumn and lowest during spring-summer. The temporal and spatial distribution of nutrients pools and MPB were largely correlated. Ammonium was higher in the IC and EX fractions, representing on average 59 and 37% of the total ammonium pool, respectively. Similarly, phosphate in the IC and EX fractions accounted on average for 40 and 31% of the total phosphate pool, respectively. Nitrate in the PW was low, suggesting low nitrification activity and rapid consumption. Nitrate accumulated in the IC pool during periods of moderate MPB abundance, being up to 66% of the total nitrate pool, whereas it decreased when chlorophyll concentration peaked likely due to a high nitrogen demand. EX-Nitrate accounted for the largest fraction of total sediment nitrate, 66% on average. The distribution of EX-Nitrate was significantly correlated with chlorophyll and OM, which probably indicates a relation of this pool to an increased availability of sites for ionic adsorption. This EX-Nitrate pool could represent an alternative nitrate source with significant concentrations available to the microbial community, deeper in the sediment below the oxic layer.

Microbial formation of labile organic carbon in Antarctic glacial environments

USGS Publications Warehouse

Smith, H.J.; Foster, R.; McKnight, D.M.; Lisle, John T.; Littmann, S.; Kuypers, M.M.M.; Foreman, C.M.

2017-01-01

Roughly six petagrams of organic carbon are stored within ice worldwide. This organic carbon is thought to be of old age and highly bioavailable. Along with storage of ancient and new atmospherically deposited organic carbon, microorganisms may contribute substantially to the glacial organic carbon pool. Models of glacial microbial carbon cycling vary from net respiration to net carbon fixation. Supraglacial streams have not been considered in models although they are amongst the largest ecosystems on most glaciers and are inhabited by diverse microbial communities. Here we investigate the biogeochemical sequence of organic carbon production and uptake in an Antarctic supraglacial stream in the McMurdo Dry Valleys using nanometre-scale secondary ion mass spectrometry, fluorescence spectroscopy, stable isotope analysis and incubation experiments. We find that heterotrophic production relies on highly labile organic carbon freshly derived from photosynthetic bacteria rather than legacy organic carbon. Exudates from primary production were utilized by heterotrophs within 24 h, and supported bacterial growth demands. The tight coupling of microbially released organic carbon and rapid uptake by heterotrophs suggests a dynamic local carbon cycle. Moreover, as temperatures increase there is the potential for positive feedback between glacial melt and microbial transformations of organic carbon.

The impact of a shallow biobarrier on water recharge patterns in a semi-arid environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laundre, J.W.

1997-12-31

This study attempted to measure the effect of a shallow biobarrier of gravel and cobble on water flow patterns during spring snow melt and recharge. The design consisted of 30 metal culverts 3 m in diameter and 1.6 m long, positioned on end. Test culverts contained 50-cm biobarrier of gravel or cobble and then an additional 50 cm of soil placed above the barrier layer. A neutron probe was used to measure soil moisture above and below the barrier. Measurements were made in the fall and again immediately after snow melt in the spring. During recharge, the biobarriers provided amore » capillary break which resulted in a pooling of water above the barrier layer. With sufficient snowmelt, the water can penetrate the break and possibly penetrate deeper than in the absence of the barrier layer.« less

Thermal imaging for assessment of electron-beam freeform fabrication (EBF3) additive manufacturing deposits

NASA Astrophysics Data System (ADS)

Zalameda, Joseph N.; Burke, Eric R.; Hafley, Robert A.; Taminger, Karen M.; Domack, Christopher S.; Brewer, Amy; Martin, Richard E.

2013-05-01

Additive manufacturing is a rapidly growing field where 3-dimensional parts can be produced layer by layer. NASA's electron beam freeform fabrication (EBF3) technology is being evaluated to manufacture metallic parts in a space environment. The benefits of EBF3 technology are weight savings to support space missions, rapid prototyping in a zero gravity environment, and improved vehicle readiness. The EBF3 system is composed of 3 main components: electron beam gun, multi-axis position system, and metallic wire feeder. The electron beam is used to melt the wire and the multi-axis positioning system is used to build the part layer by layer. To insure a quality deposit, a near infrared (NIR) camera is used to image the melt pool and solidification areas. This paper describes the calibration and application of a NIR camera for temperature measurement. In addition, image processing techniques are presented for deposit assessment metrics.

Degradation dynamics and bioavailability of land-based dissolved organic nitrogen in the Bohai Sea: Linking experiment with modeling.

PubMed

Li, Keqiang; Ma, Yunpeng; Dai, Aiquan; Wang, Xiulin

2017-11-30

Dissolved organic nitrogen (DON) is the major nitrogen form in the Bohai Sea. Land-based DON is released into the nitrogen pool and degraded by planktonic microbiota in coastal ocean. In this study, we evaluated the degradation of land-based DON, particularly its dynamics and bioavailability, in coastal water by linking experiment and modeling. Results showed that the degradation rate constant of DON from sewage treatment plant was significantly faster than those of other land-based sources (P<0.05). DON was classified into three categories based on dynamics and bioavailability. The supply of dissolved inorganic nitrogen (DIN) pool from the DON pool of Liao River, Hai River, and Yellow River was explored using a 3D hydrodynamic multi-DON biogeochemical model in the Bohai Sea. In the model, large amounts of DIN were supplied from DON of Liao River than the other rivers because of prolonged flushing time in Liaodong Bay. Copyright © 2017 Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boreyko, Jonathan B.; Srijanto, Bernadeta R.; Nguyen, Trung Dac

Water suspended on chilled superhydrophobic surfaces exhibits delayed freezing; however, the interdrop growth of frost through subcooled condensate forming on the surface seems unavoidable in humid environments. It is therefore of great practical importance to determine whether facile defrosting is possible on superhydrophobic surfaces. Here in this paper, we report that nanostructured superhydrophobic surfaces promote the growth of frost in a suspended Cassie state, enabling its dynamic removal upon partial melting at low tilt angles (<15°). The dynamic removal of the melting frost occurred in two stages: spontaneous dewetting followed by gravitational mobilization. This dynamic defrosting phenomenon is driven bymore » the low contact angle hysteresis of the defrosted meltwater relative to frost on microstructured superhydrophobic surfaces, which forms in the impaled Wenzel state. Dynamic defrosting on nanostructured superhydrophobic surfaces minimizes the time, heat, and gravitational energy required to remove frost from the surface, and is of interest for a variety of systems in cold and humid environments.« less

Stabilization of Model Membrane Systems by Disaccharides. Quasielastic Neutron Scattering Experiments and Atomistic Simulations

NASA Astrophysics Data System (ADS)

Doxastakis, Emmanouil; Garcia Sakai, Victoria; Ohtake, Satoshi; Maranas, Janna K.; de Pablo, Juan J.

2006-03-01

Trehalose, a disaccharide of glucose, is often used for the stabilization of cell membranes in the absence of water. This work studies the effects of trehalose on model membrane systems as they undergo a melting transition using a combination of experimental methods and atomistic molecular simulations. Quasielastic neutron scattering experiments on selectively deuterated samples provide the incoherent dynamic structure over a wide time range. Elastic scans probing the lipid tail dynamics display clear evidence of a main melting transition that is significantly lowered in the presence of trehalose. Lipid headgroup mobility is considerably restricted at high temperatures and directly associated with the dynamics of the sugar in the mixture. Molecular simulations provide a detailed overview of the dynamics and their spatial and time dependence. The combined simulation and experimental methodology offers a unique, molecular view of the physics of systems commonly employed in cryopreservation and lyophilization processes.

Phonon Softening due to Melting of the Ferromagnetic Order in Elemental Iron

NASA Astrophysics Data System (ADS)

Han, Qiang; Birol, Turan; Haule, Kristjan

2018-05-01

We study the fundamental question of the lattice dynamics of a metallic ferromagnet in the regime where the static long-range magnetic order is replaced by the fluctuating local moments embedded in a metallic host. We use the ab initio density functional theory + embedded dynamical mean-field theory functional approach to address the dynamic stability of iron polymorphs and the phonon softening with an increased temperature. We show that the nonharmonic and inhomogeneous phonon softening measured in iron is a result of the melting of the long-range ferromagnetic order and is unrelated to the first-order structural transition from the bcc to the fcc phase, as is usually assumed. We predict that the bcc structure is dynamically stable at all temperatures at normal pressure and is thermodynamically unstable only between the bcc-α and the bcc-δ phases of iron.

Titan's Primordial Soup: Formation of Amino Acids via Low Temperature Hydrolysis of Tholins

NASA Astrophysics Data System (ADS)

Neish, Catherine; Somogyi, Á.; Smith, M. A.

2009-09-01

Titan, Saturn's largest moon, is a world rich in the "stuff of life". Reactions occurring in its dense nitrogen-methane atmosphere produce a wide variety of organic molecules, which subsequently rain down onto its surface. Water - thought to be another important ingredient for life - is likewise abundant on Titan. Theoretical models of Titan's formation predict that its interior consists of an ice I layer several tens of kilometers thick overlying a liquid ammonia-rich water layer several hundred kilometers thick (Tobie et al., 2005). Though its surface temperature of 94K dictates that Titan is on average too cold for liquid water to persist at its surface, melting caused by impacts and/or cryovolcanism may lead to its episodic availability. Impact melt pools on Titan would likely remain liquid for 102 - 104 years before freezing (O'Brien et al., 2005). The combination of complex organic molecules and transient locales of liquid water make Titan an interesting natural laboratory for studying prebiotic chemistry. In this work, we sought to determine what biomolecules might be formed under conditions analogous to those found in transient liquid water environments on Titan. We hydrolyzed Titan organic haze analogues, or "tholins", in 13 wt. % ammonia-water at 253K and 293K for a year. Using a combination of high resolution mass spectroscopy and tandem mass spectroscopy fragmentation techniques, four amino acids were identified in the hydrolyzed tholin sample. These four species have been assigned as the amino acids asparagine, aspartic acid, glutamine, and glutamic acid. This represents the first detection of biologically relevant molecules created under conditions similar to those found in impact melt pools and cryolavas on Titan. Future missions to Titan should therefore carry instrumentation capable of detecting amino acids and other prebiotically relevant molecules on its surface This work was supported by the NASA Exobiology Program.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Man, Viet Hoang; Pan, Feng; Sagui, Celeste, E-mail: sagui@ncsu.edu

We explore the use of a fast laser melting simulation approach combined with atomistic molecular dynamics simulations in order to determine the melting and healing responses of B-DNA and Z-DNA dodecamers with the same d(5′-CGCGCGCGCGCG-3′){sub 2} sequence. The frequency of the laser pulse is specifically tuned to disrupt Watson-Crick hydrogen bonds, thus inducing melting of the DNA duplexes. Subsequently, the structures relax and partially refold, depending on the field strength. In addition to the inherent interest of the nonequilibrium melting process, we propose that fast melting by an infrared laser pulse could be used as a technique for a fastmore » comparison of relative stabilities of same-sequence oligonucleotides with different secondary structures with full atomistic detail of the structures and solvent. This could be particularly useful for nonstandard secondary structures involving non-canonical base pairs, mismatches, etc.« less

Effects of nitrogen deposition on carbon cycle in terrestrial ecosystems of China: A meta-analysis.

PubMed

Chen, Hao; Li, Dejun; Gurmesa, Geshere A; Yu, Guirui; Li, Linghao; Zhang, Wei; Fang, Huajun; Mo, Jiangming

2015-11-01

Nitrogen (N) deposition in China has increased greatly, but the general impact of elevated N deposition on carbon (C) dynamics in Chinese terrestrial ecosystems is not well documented. In this study we used a meta-analysis method to compile 88 studies on the effects of N deposition C cycling on Chinese terrestrial ecosystems. Our results showed that N addition did not change soil C pools but increased above-ground plant C pool. A large decrease in below-ground plant C pool was observed. Our result also showed that the impacts of N addition on ecosystem C dynamics depend on ecosystem type and rate of N addition. Overall, our findings suggest that 1) decreased below-ground plant C pool may limit long-term soil C sequestration; and 2) it is better to treat N-rich and N-limited ecosystems differently in modeling effects of N deposition on ecosystem C cycle. Copyright © 2015 Elsevier Ltd. All rights reserved.

Communication: Polymer entanglement dynamics: Role of attractive interactions

DOE PAGES

Grest, Gary S.

2016-10-10

The coupled dynamics of entangled polymers, which span broad time and length scales, govern their unique viscoelastic properties. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes to the late time diffusive regime, highly coarse grained models with purely repulsive interactions between monomers are widely used since they are computationally the most efficient. In this paper, using large scale molecular dynamics simulations, the effect of including the attractive interaction between monomers on the dynamics of entangled polymer melts is explored for the first time over a wide temperature range. Attractive interactions have little effect onmore » the local packing for all temperatures T and on the chain mobility for T higher than about twice the glass transition T g. Finally, these results, across a broad range of molecular weight, show that to study the dynamics of entangled polymer melts, the interactions can be treated as pure repulsive, confirming a posteriori the validity of previous studies and opening the way to new large scale numerical simulations.« less

Microscopic, Macroscopic, and Megascopic Melts: a simple model to synthesize simulation, spectroscopy, shock, and sink/float constraints on silicate melts and magma oceans

NASA Astrophysics Data System (ADS)

Asimow, P. D.; Thomas, C.; Wolf, A. S.

2012-12-01

Silicate melts are the essential agents of planetary differentiation and evolution. Their phase relations, element partitioning preferences, density, and transport properties determine the fates of heat and mass flow in the high-temperature interior of active planets. In the early Earth and in extrasolar super-Earth-mass terrestrial planets it is these properties at very high pressure (> 100 GPa) that control the evolution from possible magma oceans to solid-state convecting mantles. Yet these melts are complex, dynamic materials that present many challenges to experimental, theoretical, and computational understanding or prediction of their properties. There has been encouraging convergence among various approaches to understanding the structure and dynamics of silicate melts at multiple scales: nearest- and next-nearest neighbor structural information is derived from spectroscopic techniques such as high-resolution multinuclear NMR; first-principles molecular dynamics probe structure and dynamics at scales up to hundreds of atoms; Archimedean, ultrasonic, sink/float, and shock wave methods probe macroscopic properties (and occasionally dynamics); and deformation and diffusion experiments probe dynamics at macroscopic scale and various time scales. One challenge that remains to integrating all this information is a predictive model of silicate liquid structure that agrees with experiments and simulation both at microscopic and macroscopic scale. In addition to our efforts to collect macroscopic equation of state data using shock wave methods across ever-wider ranges of temperature, pressure, and composition space, we have introduced a simple model of coordination statistics around cations that can form the basis of a conceptual and predictive link across scales and methods. This idea is explored in this presentation specifically with regard to the temperature dependence of sound speed in ultramafic liquids. This is a highly uncertain quantity and yet it is key, in many models, to extrapolating the equation of state up or down temperature to geophysically relevant conditions. Ultrasonic data on felsic to basaltic melts, across a fairly narrow temperature range from their liquidi to ≤1650 °C, suggest either no temperature dependence or sound speeds that increase with temperature. Simulations, conducted at much higher temperature to obtain relaxation, suggest a strong decrease in sound speed with temperature. Our shock wave data on Mg2SiO4 liquid at 2000 °C yield a sound speed significantly lower than that predicted from data on less mafic liquids collected at lower temperatures where Mg2SiO4 liquid is not stable. The same shock method applied to melt compositions that are stable at 1300-1550 °C, however, yields sound speeds comparable to the ultrasonic results. Although each of these methods has its shortcomings, we show that considerable insight can be obtained in the context of a predictive model of Mg2+ and Si4+ coordination statistics as functions of temperature and pressure. We suggest that this can explain the difference between results obtained at ordinary upper mantle magmatic temperatures and those expected for magma oceans.

Critical porosity of melt segregation during crustal melting: Constraints from zonation of peritectic garnets in a dacite volcano

NASA Astrophysics Data System (ADS)

Yu, Xun; Lee, Cin-Ty A.

2016-09-01

The presence of leucogranitic dikes in orogenic belts suggests that partial melting may be an important process in the lower crust of active orogenies. Low seismic velocity and low electrical resistivity zones have been observed in the lower crust of active mountain belts and have been argued to reflect the presence of partial melt in the deep crust, but volcanoes are rare or absent above many of these inferred melt zones. Understanding whether these low velocity zones are melt-bearing, and if so, why they do not commonly erupt, is essential for understanding the thermal and rheologic structure of the crust and its dynamic evolution. Central to this problem is an understanding of how much melt can be stored before it can escape from the crust via compaction and eventually erupt. Experimental and theoretical studies predict trapped melt fractions anywhere from <5% to >30%. Here, we examine Mn growth-zoning in peritectic garnets in a Miocene dacite volcano from the ongoing Betic-Rif orogeny in southern Spain to estimate the melt fraction at the time of large-scale melt extraction that subsequently led to eruption. We show that the melt fraction at segregation, corresponding approximately to the critical melt porosity, was ∼30%, implying significant amounts of melt can be stored in the lower crust without draining or erupting. However, seismic velocities in the lower crust beneath active orogenic belts (southern Spain and Tibet) as well as beneath active magmatic zones (e.g., Yellowstone hotspot) correspond to average melt porosities of <10%, suggesting that melt porosities approaching critical values are short-lived or that high melt porosity regions are localized into heterogeneously distributed sills or dikes, which individually cannot be resolved by seismic studies.

A hydrodynamic mechanism of meteor ablation. The melt-spraying model

NASA Astrophysics Data System (ADS)

Girin, Oleksandr G.

2017-10-01

Context. Hydrodynamic conditions are similar in a molten meteoroid and a liquid drop in a high-speed airflow. Despite the fact that the latter is well-studied, both experimentally and theoretically, hydrodynamic instability theory has not been applied to study the fragmentation of molten meteoroids. Aims: We aim to treat quasi-continuous spraying of meteoroid melt due to hydrodynamic instability as a possible mechanism of ablation. Our objectives are to calculate the time development of particle release, the released particle sizes and their distribution by sizes, as well as the meteoroid mass loss law. Methods: We have applied gradient instability theory to model the behaviour of the meteoroid melt layer and its interaction with the atmosphere. We have assumed a spherical meteoroid and that the meteoroid has a shallow entry angle, such that the density of the air stream interacting with the meteoroid is nearly constant. Results: High-frequency spraying of the molten meteoroid is numerically simulated. The intermediate and final size distributions of released particles are calculated, as well as the meteoroid mass loss law. Fast and slow meteoroids of iron and stone compositions are modelled, resulting in significant differences in the size distribution of melt particles sprayed from each meteoroid. Less viscous iron melt produces finer particles and a denser aerosol wake than a stony one does. Conclusions: Analysis of the critical conditions for the gradient instability mechanism shows that the dynamic pressure of the air-stream at heights up to 100 km is sufficient to overcome surface tension forces and pull out liquid particles from the meteoroid melt by means of unstable disturbances. Hence, the proposed melt-spraying model is able to explain quasi-continuous mode of meteoroid fragmentation at large heights and low dynamic pressures. A closed-form solution of the meteoroid ablation problem is obtained due to the melt-spraying model usage, at the meteoroid composition, initial radius and velocity being given. The movies associated to Figs. 6 and 7 are available at http://www.aanda.org

Thermal and petrologic constraints on the lower crustal melt accumulation in the Salton Sea Geothermal Field

NASA Astrophysics Data System (ADS)

Karakas, O.; Dufek, J.; Mangan, M.; Wright, H. M. N.

2014-12-01

Heat transfer in active volcanic areas is governed by complex coupling between tectonic and magmatic processes. These two processes provide unique imprints on the petrologic and thermal evolution of magma by controlling the geometry, depth, longevity, composition, and fraction of melt in the crust. The active volcanism, tectonic extension, and significantly high surface heat flow in Salton Sea Geothermal Field, CA, provides information about the dynamic heat transfer processes in its crust. The volcanism in the area is associated with tectonic extension over the last 500 ka, followed by subsidence and sedimentation at the surface level and dike emplacement in the lower crust. Although significant progress has been made describing the tectonic evolution and petrology of the erupted products of the Salton Buttes, their coupled control on the crustal heat transfer and feedback on the melt evolution remain unclear. To address these concepts, we develop a two-dimensional finite volume model and investigate the compositional and thermal evolution of the melt and crust in the Salton Sea Geothermal Field through a one-way coupled thermal model that accounts for tectonic extension, lower crustal magma emplacement, sedimentation, and subsidence. Through our simulations, we give quantitative estimates to the thermal and compositional evolution and longevity of the lower crustal melt source in the crustal section. We further compare the model results with petrologic constraints. Our thermal balance equations show that crustal melting is limited and the melt is dominated by mantle-derived material. Similarly, petrologic work on δ18O isotope ratios suggests fractional crystallization of basalt with minor crustal assimilation. In addition, we suggest scenarios for the melt fraction, composition, enthalpy release, geometry and depth of magma reservoirs, their temporal evolution, and the timescales of magmatic storage and evolution processes. These parameters provide the source conditions for the dynamics of surface volcanism and the presence of a geothermal system, which modify the thermal and mechanical structure of the crust.

Diffusion coefficients of Mg isotopes in MgSiO3 and Mg2SiO4 melts calculated by first-principles molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Liu, Xiaohui; Qi, Yuhan; Zheng, Daye; Zhou, Chen; He, Lixin; Huang, Fang

2018-02-01

The mass dependence of diffusion coefficient (D) can be described in the form of Di/Dj = (mj/mi)β, where m denotes masses of isotope i and j, and β is an empirical parameter as used to quantify the diffusive transport of isotopes. Recent advances in computation techniques allow theoretically calculation of β values. Here, we apply first-principles Born-Oppenheimer molecular dynamics (MD) and pseudo-isotope method (taking mj/mi = 1/24, 6/24, 48/24, 120/24) to estimate β for MgSiO3 and Mg2SiO4 melts. Our calculation shows that β values for Mg calculated with 24Mg and different pseudo Mg isotopes are identical, indicating the reliability of the pseudo-isotope method. For MgSiO3 melt, β is 0.272 ± 0.005 at 4000 K and 0 GPa, higher than the value calculated using classical MD simulations (0.135). For Mg2SiO4 melt, β is 0.184 ± 0.006 at 2300 K, 0.245 ± 0.007 at 3000 K, and 0.257 ± 0.012 at 4000 K. Notably, β values of MgSiO3 and Mg2SiO4 melts are significantly higher than the value in basalt-rhyolite melts determined by chemical diffusion experiments (0.05). Our results suggest that β values are not sensitive to the temperature if it is well above the liquidus, but can be significantly smaller when the temperature is close to the liquidus. The small difference of β between silicate liquids with simple compositions of MgSiO3 and Mg2SiO4 suggests that the β value may depend on the chemical composition of the melts. This study shows that first-principles MD provide a promising tool to estimate β of silicate melts.

Etnean and Hyblean volcanism shifted away from the Malta Escarpment by crustal stresses

NASA Astrophysics Data System (ADS)

Neri, Marco; Rivalta, Eleonora; Maccaferri, Francesco; Acocella, Valerio; Cirrincione, Rosolino

2018-03-01

A fraction of the volcanic activity occurs intraplate, challenging our models of melting and magma transfer to the Earth's surface. A prominent example is Mt. Etna, eastern Sicily, offset from the asthenospheric tear below the Malta Escarpment proposed as its melt source. The nearby Hyblean volcanism, to the south, and the overall northward migration of the eastern Sicilian volcanism are also unexplained. Here we simulate crustal magma pathways beneath eastern Sicily, accounting for regional stresses and decompression due to the increase in the depth of the Malta Escarpment. We find non-vertical magma pathways, with the competition of tectonic and loading stresses controlling the trajectories' curvature and its change in time, causing the observed migration of volcanism. This suggests that the Hyblean and Etnean volcanism have been fed laterally from a melt pooling region below the Malta Escarpment. The case of eastern Sicily shows how the reconstruction of the evolution of magmatic provinces may require not only an assessment of the paleostresses, but also of the contribution of surface loads and their variations; at times, the latter may even prevail. Accounting for these competing stresses may help shed light on the distribution and wandering of intraplate volcanism

Effect of pulsed laser parameters on in-situ TiC synthesis in laser surface treatment

NASA Astrophysics Data System (ADS)

Hamedi, M. J.; Torkamany, M. J.; Sabbaghzadeh, J.

2011-04-01

Commercial titanium sheets pre-coated with 300-μm thick graphite layer were treated by employing a pulsed Nd:YAG laser in order to enhance surface properties such as wear and erosion resistance. Laser in-situ alloying method produced a composite layer by melting the titanium substrate and dissolution of graphite in the melt pool. Correlations between pulsed laser parameters, microstructure and microhardness of the synthesized composite coatings were investigated. Effects of pulse duration and overlapping factor on the microstructure and hardness of the alloyed layer were deduced from Vickers micro-indentation tests, XRD, SEM and metallographic analyses of cross sections of the generated layer. Results show that the composite cladding layer was constituted with TiC intermetallic phase between the titanium matrix in particle and dendrite forms. The dendritic morphology of composite layer was changed to cellular grain structure by increasing laser pulse duration and irradiated energy. High values of the measured hardness indicate that deposited titanium carbide increases in the conditions with more pulse duration and low process speed. This occurs due to more dissolution of carbon into liquid Ti by heat input increasing and positive influence of the Marangoni flow in the melted zone.

Fe-C-Si ternary composite coating on CP-titanium and its tribological properties

NASA Astrophysics Data System (ADS)

Maleque, M. A.; Saffina, W.; Ahmed, A. S.; Ali, M. Y.

2017-03-01

This study focused on the development of ternary composite coating through incorporation of Fe-C-Si ternary powder mixtures on CP-Ti substrate and characterizes the microstructure, hardness and wears behavior in presence of Jatropha oil. In this work, the surface of commercial purity titanium (CP-Ti) was modified using a tungsten inert gas (TIG) surface melting technique. The wear behavior of coated CP-titanium was performed using pin-on-disk machine. The results showed that the melt track has dendritic microstructure which was homogenously distributed throughout the melt pool. This Fe-C-Si ternary composite coating enhanced the surface hardness of CP-Ti significantly from 175 HV for the untreated substrate to ∼800 HV for the Fe-C-Si coated CP-Ti due to the formation of intermetallic compounds.. The wear results showed that less wear volume loss was observed on the composite coated CP-Ti in presence of Jatropha-biodiesel compared to uncoated CP-Ti. The achievement of this hard Fe-C-Si composite coating on the surface of CP-Ti can broadened new prospect for many engineering applications that use biodiesel under different tribological variables.

Dynamic behavior of the weld pool in stationary GMAW

NASA Astrophysics Data System (ADS)

Chapuis, J.; Romero, E.; Bordreuil, C.; Soulié, F.; Fras, G.

2010-06-01

Because hump formation limits welding productivity, better understanding of the humping phenomena during the welding process is needed to access to process modifications that decrease the tendency for hump formation and then allow higher productivity welding. From a physical point of view, the mechanism identified is the Rayleigh instability initiated by strong surface tension gradient which induces a variation of kinetic flow. But the causes of the appearance of this instability are not yet well explained. Because of the phenomena complex and multi-physics, we chose in first step to conduct an analysis of the characteristic times involved in weld pool in pulsed stationary GMAW. The goal is to study the dynamic behavior of the weld pool, using our experimental multi physics approach. The experimental tool and methodology developed to understand these fast phenomena are presented first: frames acquisition with high speed digital camera and specific optical devices, numerical library. The analysis of geometric parameters of the weld pool during welding operation are presented in the last part: we observe the variations of wetting angles (or contact lines angles), the base and the height of the weld pool (macro-drop) versus weld time.

Tree carbon allocation dynamics determined using a carbon mass balance approach.

PubMed

Klein, Tamir; Hoch, Günter

2015-01-01

Tree internal carbon (C) fluxes between compound and compartment pools are difficult to measure directly. Here we used a C mass balance approach to decipher these fluxes and provide a full description of tree C allocation dynamics. We collected independent measurements of tree C sinks, source and pools in Pinus halepensis in a semi-arid forest, and converted all fluxes to g C per tree d(-1) . Using this data set, a process flowchart was created to describe and quantify the tree C allocation on diurnal to annual time-scales. The annual C source of 24.5 kg C per tree yr(-1) was balanced by C sinks of 23.5 kg C per tree yr(-1) , which partitioned into 70%, 17% and 13% between respiration, growth, and litter (plus export to soil), respectively. Large imbalances (up to 57 g C per tree d(-1) ) were observed as C excess during the wet season, and as C deficit during the dry season. Concurrent changes in C reserves (starch) were sufficient to buffer these transient C imbalances. The C pool dynamics calculated using the flowchart were in general agreement with the observed pool sizes, providing confidence regarding our estimations of the timing, magnitude, and direction of the internal C fluxes. © 2014 The Authors. New Phytologist © 2014 New Phytologist Trust.

Thorium-uranium fractionation by garnet - Evidence for a deep source and rapid rise of oceanic basalts

NASA Technical Reports Server (NTRS)

Latourrette, T. Z.; Kennedy, A. K.; Wasserburg, G. J.

1993-01-01

Mid-ocean ridge basalts (MORBs) and ocean island basalts (OIBs) are derived by partial melting of the upper mantle and are marked by systematic excesses of thorium-230 activity relative to the activity of its parent, uranium-238. Experimental measurements of the distribution of thorium and uranium between the melt and solid residue show that, of the major phases in the upper mantle, only garnet will retain uranium over thorium. This sense of fractionation, which is opposite to that caused by clinopyroxene-melt partitioning, is consistent with the thorium-230 excesses observed in young oceanic basalts. Thus, both MORBs and OIBs must begin partial melting in the garnet stability field or below about 70 kilometers. A calculation shows that the thorium-230-uranium-238 disequilibrium in MORBs can be attributed to dynamic partial melting beginning at 80 kilometers with a melt porosity of 0.2 percent or more. This result requires that melting beneath ridges occurs in a wide region and that the magma rises to the surface at a velocity of at least 0.9 meter per year.

Melting of Simple Solids and the Elementary Excitations of the Communal Entropy

NASA Astrophysics Data System (ADS)

Bongiorno, Angelo

2010-03-01

The melting phase transition of simple solids is addressed through the use of atomistic computer simulations. Three transition metals (Ni, Au, and Pt) and a semiconductor (Si) are considered in this study. Iso-enthalpic molecular dynamics simulations are used to compute caloric curves across the solid-to-liquid phase transition of a periodic crystalline system, to construct the free energy function of the solid and liquid phases, and thus to derive the thermodynamical limit of the melting point, latent heat and entropy of fusion of the material. The computational strategy used in this study yields accurate estimates of melting parameters, it consents to determine the superheating and supercooling temperature limits, and it gives access to the atomistic mechanisms mediating the melting process. In particular, it is found that the melting phase transition in simple solids is driven by exchange steps involving a few atoms and preserving the crystalline structure. These self-diffusion phenomena correspond to the elementary excitations of the communal entropy and, as their rate depends on the local material cohesivity, they mediate both the homogeneous and non-homogeneous melting process in simple solids.

Theory and Simulation of Attractive Nanoparticle Transport in Polymer Melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamamoto, Umi; Carrillo, Jan-Michael Y.; Bocharova, Vera

We theoretically study the diffusion of a single attractive nanoparticle (NP) in unentangled and entangled polymer melts based on combining microscopic “core–shell” and “vehicle” mechanisms in a dynamic bond percolation theory framework. A physical picture is constructed which addresses the role of chain length (N), degree of entanglement, nanoparticle size, and NP–polymer attraction strength. The nanoparticle diffusion constant is predicted to initially decrease with N due to the dominance of the core–shell mechanism, then to cross over to the vehicle diffusion regime with a weaker N dependence, and eventually plateau at large enough N. This behavior corresponds to decoupling ofmore » NP diffusivity from the macroscopic melt viscosity, which is reminiscent of repulsive NPs in entangled melts, but here it occurs for a distinct physical reason. Specifically, it reflects a crossover to a transport mechanism whereby nanoparticles adsorb on polymer chains and diffuse using them as “vehicles” over a characteristic desorption time scale. Repetition of random desorption events then leads to Fickian long time NP diffusion. Complementary simulations for a range of chain lengths and low to moderate NP–polymer attraction strengths are also performed. They allow testing of the proposed diffusion mechanisms and qualitatively support the theoretically predicted dynamic crossover behavior. In conclusion, when the desorption time is smaller than or comparable to the onset of entangled polymer dynamics, the NP diffusivity becomes almost chain length independent.« less

Theory and Simulation of Attractive Nanoparticle Transport in Polymer Melts

DOE PAGES

Yamamoto, Umi; Carrillo, Jan-Michael Y.; Bocharova, Vera; ...

2018-03-06

We theoretically study the diffusion of a single attractive nanoparticle (NP) in unentangled and entangled polymer melts based on combining microscopic “core–shell” and “vehicle” mechanisms in a dynamic bond percolation theory framework. A physical picture is constructed which addresses the role of chain length (N), degree of entanglement, nanoparticle size, and NP–polymer attraction strength. The nanoparticle diffusion constant is predicted to initially decrease with N due to the dominance of the core–shell mechanism, then to cross over to the vehicle diffusion regime with a weaker N dependence, and eventually plateau at large enough N. This behavior corresponds to decoupling ofmore » NP diffusivity from the macroscopic melt viscosity, which is reminiscent of repulsive NPs in entangled melts, but here it occurs for a distinct physical reason. Specifically, it reflects a crossover to a transport mechanism whereby nanoparticles adsorb on polymer chains and diffuse using them as “vehicles” over a characteristic desorption time scale. Repetition of random desorption events then leads to Fickian long time NP diffusion. Complementary simulations for a range of chain lengths and low to moderate NP–polymer attraction strengths are also performed. They allow testing of the proposed diffusion mechanisms and qualitatively support the theoretically predicted dynamic crossover behavior. In conclusion, when the desorption time is smaller than or comparable to the onset of entangled polymer dynamics, the NP diffusivity becomes almost chain length independent.« less

Experiments on water/melt explosions, nature of products, and models of dispersal

NASA Technical Reports Server (NTRS)

Sheridan, M. F.; Wohletz, K. H.

1984-01-01

Experiments were carried out in a steel pressure device using controlled amounts of water and thermite melt to examine the mechanical energy released on explosive mixing following the initial contact of the two materials. An experimental design was used to allow the direct calculation of the mechanical energy by the dynamic lift of the device as recorded both optically and physically. A large number of experiments were run to accurately determine the optimum mixture of water and melt for the conversion of thermal to mechanical energy. The maximum efficiency observed was about 12% at a water/thermite mass ratio of 0.50. These experiments are the basis for the development of models of hydroexplosions and melt fragmentation. Particles collected from the experimental products are similar in size and shape to pyroclasts produced by much larger hydrovolcanic explosions. Melt rupture at optimum ratios produces very fine particles whereas rupture at high or low water/melt ratios produces large melt fragments. Grain surface textures in the experimental products are also related to the water/melt ratio and the mechanism of explosive mixing. It is thus possible to have qualitative information about the nature of the explosion from the sizes and shapes of the fragments produced.

Keyhole and weld shapes for plasma arc welding under normal and zero gravity

NASA Technical Reports Server (NTRS)

Keanini, R. G.; Rubinsky, B.

1990-01-01

A first order study of the interfacial (keyhole) shape between a penetrating argon plasma arc jet and a stationary liquid metal weld pool is presented. The interface is determined using the Young-Laplace equation by assuming that the plasma jet behaves as a one-dimensional ideal gas flow and by neglecting flow within the weld pool. The solution for the keyhole shape allows an approximate determination of the liquid-solid metal phase boundary location based on the assumption that the liquid melt is a stagnant thermal boundary layer. Parametric studies examine the effect of plasma mass flow rate, initial plasma enthalpy, liquid metal surface tension, and jet shear on weldment shape under both normal and zero gravity. Among the more important findings of this study is that keyhole and weld geometries are minimally affected by gravity, suggesting that data gathered under gravity can be used in planning in-space welding.

Nanorheology of Entangled Polymer Melts

DOE PAGES

Ge, Ting; Grest, Gary S.; Rubinstein, Michael

2018-02-01

In this study, we use molecular simulations to probe the local viscoelasticity of an entangled polymer melt by tracking the motion of embedded nonsticky nanoparticles (NPs). As in conventional microrheology, the generalized Stokes-Einstein relation is employed to extract an effective stress relaxation function G GSE(t) from the mean square displacement of NPs. G GSE(t) for different NP diameters d are compared with the stress relaxation function G(t) of a pure polymer melt. The deviation of G GSE(t) from G(t) reflects the incomplete coupling between NPs and the dynamic modes of the melt. For linear polymers, a plateau in G GSE(t)more » emerges as d exceeds the entanglement mesh size a and approaches the entanglement plateau in G(t) for a pure melt with increasing d. For ring polymers, as d increases towards the spanning size R of ring polymers, G GSE(t) approaches G(t) of the ring melt with no entanglement plateau.« less

Solid-liquid and liquid-solid transitions in metal nanoparticles.

PubMed

Hou, M

2017-02-22

The melting and solidification temperatures of nanosystems may differ by several hundred Kelvin. To understand the origin of this difference, transitions in small metallic nanoparticles on the atomic scale were analyzed using molecular dynamics (MD). Palladium was used as a case study, which was then extended to a range of other elemental metals. It was argued that in realistic environments, such as gases at low pressure (of the order of 1 mbar), heat transfers allow the microcanonical thermal equilibrium evolution of the nanoparticles between successive collisions with gas atoms. This is shown to have no significant influence on the mechanism of melting, whereas in an isolated nanoparticle, solidification triggers a huge and rapid increase in temperature. A simple relationship between the melting and solidification temperatures was found, indicating that the magnitude of the latent heat of melting governs undercooling. Whereas melting occurs via heterogeneous nucleation, solidification displays characteristics of spinodal decomposition. Consistently, the melting temperature scales with the surface-to-volume ratio, whereas the solidification temperature displays no significant dependence on the particle size.