Study of thermal stability of disordered alloy AgxCu1-x nanoparticles by molecular dynamic simulations

NASA Astrophysics Data System (ADS)

Baidyshev, V. S.; Chepkasov, I. V.; Artemova, N. D.

2018-05-01

In this paper melting processes of particles of disordered AgCu alloy in the size range of D=3-5 nm were investigated. The simulation was carried out with molecular dynamics, using the embedded atom potential. It was defined that for nanoparticles of D=3 nm, the melting process is connected with the formation of the outer layer consisting of Ag atoms as well as with the further transition of the particle into an amorphous state. The increase of the particle size to D=5 nm did not show the processes of redistributing Ag atoms on the particle surface.

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.

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.

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.

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.

Thermographic Measurements of the Commercial Laser Powder Bed Fusion Process at NIST

PubMed Central

Lane, Brandon; Moylan, Shawn; Whitenton, Eric; Ma, Li

2016-01-01

Measurement of the high-temperature melt pool region in the laser powder bed fusion (L-PBF) process is a primary focus of researchers to further understand the dynamic physics of the heating, melting, adhesion, and cooling which define this commercially popular additive manufacturing process. This paper will detail the design, execution, and results of high speed, high magnification in-situ thermographic measurements conducted at the National Institute of Standards and Technology (NIST) focusing on the melt pool region of a commercial L-PBF process. Multiple phenomena are observed including plasma plume and hot particle ejection from the melt region. The thermographic measurement process will be detailed with emphasis on the ‘measurability’ of observed phenomena and the sources of measurement uncertainty. Further discussion will relate these thermographic results to other efforts at NIST towards L-PBF process finite element simulation and development of in-situ sensing and control methodologies. PMID:28058036

Thermographic Measurements of the Commercial Laser Powder Bed Fusion Process at NIST.

PubMed

Lane, Brandon; Moylan, Shawn; Whitenton, Eric; Ma, Li

2016-01-01

Measurement of the high-temperature melt pool region in the laser powder bed fusion (L-PBF) process is a primary focus of researchers to further understand the dynamic physics of the heating, melting, adhesion, and cooling which define this commercially popular additive manufacturing process. This paper will detail the design, execution, and results of high speed, high magnification in-situ thermographic measurements conducted at the National Institute of Standards and Technology (NIST) focusing on the melt pool region of a commercial L-PBF process. Multiple phenomena are observed including plasma plume and hot particle ejection from the melt region. The thermographic measurement process will be detailed with emphasis on the 'measurability' of observed phenomena and the sources of measurement uncertainty. Further discussion will relate these thermographic results to other efforts at NIST towards L-PBF process finite element simulation and development of in-situ sensing and control methodologies.

Implications of fractured Arctic perennial ice cover on thermodynamic and dynamic sea ice processes

NASA Astrophysics Data System (ADS)

Asplin, Matthew G.; Scharien, Randall; Else, Brent; Howell, Stephen; Barber, David G.; Papakyriakou, Tim; Prinsenberg, Simon

2014-04-01

Decline of the Arctic summer minimum sea ice extent is characterized by large expanses of open water in the Siberian, Laptev, Chukchi, and Beaufort Seas, and introduces large fetch distances in the Arctic Ocean. Long waves can propagate deep into the pack ice, thereby causing flexural swell and failure of the sea ice. This process shifts the floe size diameter distribution smaller, increases floe surface area, and thereby affects sea ice dynamic and thermodynamic processes. The results of Radarsat-2 imagery analysis show that a flexural fracture event which occurred in the Beaufort Sea region on 6 September 2009 affected ˜40,000 km2. Open water fractional area in the area affected initially decreased from 3.7% to 2.7%, but later increased to ˜20% following wind-forced divergence of the ice pack. Energy available for lateral melting was assessed by estimating the change in energy entrainment from longwave and shortwave radiation in the mixed-layer of the ocean following flexural fracture. 11.54 MJ m-2 of additional energy for lateral melting of ice floes was identified in affected areas. The impact of this process in future Arctic sea ice melt seasons was assessed using estimations of earlier occurrences of fracture during the melt season, and is discussed in context with ocean heat fluxes, atmospheric mixing of the ocean mixed layer, and declining sea ice cover. We conclude that this process is an important positive feedback to Arctic sea ice loss, and timing of initiation is critical in how it affects sea ice thermodynamic and dynamic processes.

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.

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.

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.

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.

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.

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.

Numerical Simulation for Heat and Mass Transfer During Selective Laser Melting of Titanium alloys Powder

NASA Astrophysics Data System (ADS)

Li, Cheng-Jui; Tsai, Tsung-Wen; Tseng, Chien-Chou

The purpose of this research is to analyse the complex phase change and the heat transfer behavior of the Ti-6Al-4 V powder particle during the Selective Laser Melting (SLM) process. In this study, the rapid melting and solidification process is presented by Computational Fluid Dynamics (CFD) approach under the framework of the volume-of-fluid (VOF) method. The interaction between the laser velocity and power to the solidification shape and defects of the metal components will be studied numerically as a guideline to improve quality and reduce costs.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Production, pathways and budgets of melts in mid-ocean ridges: An enthalpy based thermo-mechanical model

NASA Astrophysics Data System (ADS)

Mandal, Nibir; Sarkar, Shamik; Baruah, Amiya; Dutta, Urmi

2018-04-01

Using an enthalpy based thermo-mechanical model we provide a theoretical evaluation of melt production beneath mid-ocean ridges (MORs), and demonstrate how the melts subsequently develop their pathways to sustain the major ridge processes. Our model employs a Darcy idealization of the two-phase (solid-melt) system, accounting enthalpy (ΔH) as a function of temperature dependent liquid fraction (ϕ). Random thermal perturbations imposed in this model set in local convection that drive melts to flow through porosity controlled pathways with a typical mushroom-like 3D structure. We present across- and along-MOR axis model profiles to show the mode of occurrence of melt-rich zones within mushy regions, connected to deeper sources by single or multiple feeders. The upwelling of melts experiences two synchronous processes: 1) solidification-accretion, and 2) eruption, retaining a large melt fraction in the framework of mantle dynamics. Using a bifurcation analysis we determine the threshold condition for melt eruption, and estimate the potential volumes of eruptible melts (∼3.7 × 106 m3/yr) and sub-crustal solidified masses (∼1-8.8 × 106 m3/yr) on an axis length of 500 km. The solidification process far dominates over the eruption process in the initial phase, but declines rapidly on a time scale (t) of 1 Myr. Consequently, the eruption rate takes over the solidification rate, but attains nearly a steady value as t > 1.5 Myr. We finally present a melt budget, where a maximum of ∼5% of the total upwelling melt volume is available for eruption, whereas ∼19% for deeper level solidification; the rest continue to participate in the sub-crustal processes.

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.

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.

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.

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.

Mantle Flow and Melting Processes Beneath Back-Arc Basins

NASA Astrophysics Data System (ADS)

Hall, P. S.

2007-12-01

The chemical systematics of back-arc basin basalts suggest that multiple mechanisms of melt generation and transport operate simultaneously beneath the back-arc, resulting in a continuum of melts ranging from a relatively dry, MORB-like end-member to a wet, slab-influenced end-member [e.g., Kelley et al., 2006; Langmuir et al., 2006]. Potential melting processes at work include adiabatic decompression melting akin to that at mid-ocean ridges, diapiric upwelling of hydrous and/or partially molten mantle from above the subducting lithospheric slab [e.g., Marsh, 1979; Hall and Kincaid, 2001; Gerya and Yuen, 2003], and melting of back-arc mantle due to a continuous flux of slab-derived hydrous fluid [Kelley et al., 2006]. In this study, we examine the potential for each of these melting mechanisms to contribute to the observed distribution of melts in back-arc basins within the context of upper mantle flow (driven by plate motions) beneath back-arcs, which ultimately controls temperatures within the melting region. Mantle velocities and temperatures are derived from numerical geodynamic models of subduction with back-arc spreading that explicitly include adiabatic decompression melting through a Lagrangian particle scheme and a parameterization of hydrous melting. Dynamical feedback from the melting process occurs through latent heating and viscosity increases related to dehydration. A range of parameters, including subduction rate and trench-back-arc separation distances, is explored. The thermal evolution of individual diapirs is modeled numerically as they traverse the mantle, from nucleation above the subducting slab to melting beneath the back-arc spreading center, and a range of diapir sizes and densities and considered.

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.

Molecular dynamics simulation of the coalescence and melting process of Au and Cu nano-clusters

NASA Astrophysics Data System (ADS)

Chen, Gang; Wang, Chuan Jie; Zhang, Peng

2018-03-01

Molecular dynamic (MD) method is used to study the coalescence and fusing process of Au and Cu nanoclusters. The results show that shear deformation, surface and interface diffusion play important role in different stages of all simulation procedure. In most cases, shear deformation produces the twin boundary or/and stacking fault in particles by particle rotation and slide. The angle between the {111} of Au and Cu particles decrease with increasing temperature, which promotes the formation of the stable interface. Furthermore, the coalescence point and melting temperature increase as cluster diameter increases. For the other cases, there are no particle rotation and slide phenomenon in the elevating temperature process because the stable interface can be formed by forming twin boundaries once two particles contact.

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.

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.

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.

Interface structure and contact melting in AgCu eutectic. A molecular dynamics study

NASA Astrophysics Data System (ADS)

Bystrenko, O.; Kartuzov, V.

2017-12-01

Molecular dynamics simulations of the interface structure in binary AgCu eutectic were performed by using the realistic EAM potential. In simulations, we examined the time dependence of the total energy in the process of equilibration, the probability distributions, the composition profiles for the components, and the component diffusivities within the interface zone. It is shown that the relaxation to the equilibrium in the solid state is accompanied by the formation of the steady disordered diffusion zone at the boundary between the crystalline components. At higher temperatures, closer to the eutectic point, the increase in the width of the steady diffusion zone is observed. The particle diffusivities grow therewith to the numbers typical for the liquid metals. Above the eutectic point, the steady zone does not form, instead, the complete contact melting in the system occurs. The results of simulations indicate that during the temperature increase the phenomenon of contact melting is preceded by the similar process spatially localized in the vicinity of the interface.

Thermal dynamic behavior during selective laser melting of K418 superalloy: numerical simulation and experimental verification

NASA Astrophysics Data System (ADS)

Chen, Zhen; Xiang, Yu; Wei, Zhengying; Wei, Pei; Lu, Bingheng; Zhang, Lijuan; Du, Jun

2018-04-01

During selective laser melting (SLM) of K418 powder, the influence of the process parameters, such as laser power P and scanning speed v, on the dynamic thermal behavior and morphology of the melted tracks was investigated numerically. A 3D finite difference method was established to predict the dynamic thermal behavior and flow mechanism of K418 powder irradiated by a Gaussian laser beam. A three-dimensional randomly packed powder bed composed of spherical particles was established by discrete element method. The powder particle information including particle size distribution and packing density were taken into account. The volume shrinkage and temperature-dependent thermophysical parameters such as thermal conductivity, specific heat, and other physical properties were also considered. The volume of fluid method was applied to reconstruct the free surface of the molten pool during SLM. The geometrical features, continuity boundaries, and irregularities of the molten pool were proved to be largely determined by the laser energy density. The numerical results are in good agreement with the experiments, which prove to be reasonable and effective. The results provide us some in-depth insight into the complex physical behavior during SLM and guide the optimization of process parameters.

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.

Experimental simulation of magma-carbonate interaction beneath Mt. Vesuvius, Italy

NASA Astrophysics Data System (ADS)

Jolis, E. M.; Freda, C.; Troll, V. R.; Deegan, F. M.; Blythe, L. S.; McLeod, C. L.; Davidson, J. P.

2013-11-01

We simulated the process of magma-carbonate interaction beneath Mt. Vesuvius in short duration piston-cylinder experiments under controlled magmatic conditions (from 0 to 300 s at 0.5 GPa and 1,200 °C), using a Vesuvius shoshonite composition and upper crustal limestone and dolostone as starting materials. Backscattered electron images and chemical analysis (major and trace elements and Sr isotopes) of sequential experimental products allow us to identify the textural and chemical evolution of carbonated products during the assimilation process. We demonstrate that melt-carbonate interaction can be extremely fast (minutes), and results in dynamic contamination of the host melt with respect to Ca, Mg and 87Sr/86Sr, coupled with intense CO2 vesiculation at the melt-carbonate interface. Binary mixing between carbonate and uncontaminated melt cannot explain the geochemical variations of the experimental charges in full and convection and diffusion likely also operated in the charges. Physical mixing and mingling driven by exsolving volatiles seems to be a key process to promote melt homogenisation. Our results reinforce hypotheses that magma-carbonate interaction is a relevant and ongoing process at Mt. Vesuvius and one that may operate not only on a geological, but on a human timescale.

Molecular dynamics study of dual-phase microstructure of Titanium and Zirconium metals during the quenching process

NASA Astrophysics Data System (ADS)

Miyazaki, Narumasa; Sato, Kazunori; Shibutani, Yoji

Dual-phase (DP) transformation, which is composed of felite- and/or martensite- multicomponent microstructural phases, is one of the most effective tools to product functional alloys. To obtain this DP structure such as DP steels and other materials, we usually apply thermal processes such as quenching, tempering and annealing. As the transformation dynamics of DP microstructure depends on conditions of temperature, annealing time, and quenching rate, physical properties of materials are able to be tuned by controlling microstructure type, size, their interfaces and so on. In this study, to understand the behavior of DP transformation and to control physical properties of materials by tuning DP microstructures, we analyze the atomistic dynamics of DP transformation during the quenching process and the detail of DP microstructures by using the molecular dynamics simulations. As target metals of DP transformation, we focus on group 4 transition metals, such as Ti and Zr described by EAM interatomic potentials. For Ti and Zr models we perform molecular dynamics simulations by assuming melt-quenching process from 3000 K to 0 K under the isothermal-isobaric ensemble. During the process for each material, we observe liquid to HCP like transition around the melting temperature, and continuously HCP-BCC like transition around martensitic transformation temperature. Furthermore, we clearly distinguish DP microstructure for each quenched model.

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.

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.

Laser Spot Welding of Copper-aluminum Joints Using a Pulsed Dual Wavelength Laser at 532 and 1064 nm

NASA Astrophysics Data System (ADS)

Stritt, Peter; Hagenlocher, Christian; Kizler, Christine; Weber, Rudolf; Rüttimann, Christoph; Graf, Thomas

A modulated pulsed laser source emitting green and infrared laser light is used to join the dissimilar metals copper and aluminum. The resultant dynamic welding process is analyzed using the back reflected laser light and high speed video observations of the interaction zone. Different pulse shapes are applied to influence the melt pool dynamics and thereby the forming grain structure and intermetallic phases. The results of high-speed images and back-reflections prove that a modulation of the pulse shape is transferred to oscillations of the melt pool at the applied frequency. The outcome of the melt pool oscillation is shown by the metallurgically prepared cross-section, which indicates different solidification lines and grain shapes. An energy-dispersivex-ray analysis shows the mixture and the resultant distribution of the two metals, copper and aluminum, within the spot weld. It can be seen that the mixture is homogenized the observed melt pool oscillations.

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.

Dynamics of the Molten Contact Line

NASA Technical Reports Server (NTRS)

Sonin, Ain A.; Schiaffino, Stefano

1996-01-01

In contrast to the ordinary contact line problem, virtually no information is available on the similar problem associated with a molten material spreading on a solid which is below the melt's fusion point. The latter is a more complex problem which heat transfer and solidification take place simultaneously with spreading, and requires answers not only for the hot melt's advance speed over the cold solid as a function of contact angle, but also for how one is to predict the point of the molten contact line's arrest by freezing. This issues are of importance in evolving methods of materials processing. The purpose of our work is to develop, based on both experiments and theory, an understanding of the dynamic processes that occur when a molten droplet touches a subcooled solid, spreads partly over it by capillary action, and freezes. We seek answers to the following basic questions. First, what is the relationship between the melt's contact line speed and the apparent (dynamic) contact angle? Secondly, at what point will the contact line modon be arrested by freezing? The talk will describe three components of our work: (1) deposition experiments with small molten droplets; (2) investigation of the dynamics of the molten contact line by means of a novel forced spreading method; and (3) an attempt to provide a theoretical framework for answering the basic questions posed above.

Laser Beam Oscillation Strategies for Fillet Welds in Lap Joints

NASA Astrophysics Data System (ADS)

Müller, Alexander; Goecke, Sven-F.; Sievi, Pravin; Albert, Florian; Rethmeier, Michael

Laser beam oscillation opens up new possibilities of influencing the welding process in terms of compensation of tolerances and reduction of process emissions that occur in industrial applications, such as in body-in-white manufacturing. The approaches are to adapt the melt pool width in order to generate sufficient melt volume or to influence melt pool dynamics, e.g. for a better degassing. Welding results are highly dependent on the natural frequency of the melt pool, the used spot diameter and the oscillation speed of the laser beam. The conducted investigations with an oscillated 300 μm laser spot show that oscillation strategies, which are adjusted to the joining situation improve welding result for zero-gap welding as well as for bridging gaps to approximately 0.8 mm. However, a complex set of parameters has to be considered in order to generate proper welding results. This work puts emphasize on introducing them.

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.

Simulation and Technology of Hybrid Welding of Thick Steel Parts with High Power Fiber Laser

NASA Astrophysics Data System (ADS)

Turichin, Gleb; Valdaytseva, Ekaterina; Tzibulsky, Igor; Lopota, Alexander; Velichko, Olga

The article devoted to steady state and dynamic simulation of melt pool behavior during hybrid laser-arc welding of pipes and shipbuilding sections. The quasi-stationary process-model was used to determine an appropriate welding mode. The dynamical model of laser welding was used for investigation of keyhole depth and width oscillations. The experiments of pipe steel and stainless steel hybrid laser-MAG welding have been made with 15-kW fiber laser in wide range of welding mode parameters. Comparison of experimentally measured and simulated behavior of penetration depth as well as their oscillation spectra approved the self-oscillation nature of melt pool behavior. The welding mode influence of melt pool stability has also been observed. The technological peculiarities, which allow provide high quality weld seam, has been discussed also.

Modeling of dislocation dynamics in germanium Czochralski growth

NASA Astrophysics Data System (ADS)

Artemyev, V. V.; Smirnov, A. D.; Kalaev, V. V.; Mamedov, V. M.; Sidko, A. P.; Podkopaev, O. I.; Kravtsova, E. D.; Shimansky, A. F.

2017-06-01

Obtaining very high-purity germanium crystals with low dislocation density is a practically difficult problem, which requires knowledge and experience in growth processes. Dislocation density is one of the most important parameters defining the quality of germanium crystal. In this paper, we have performed experimental study of dislocation density during 4-in. germanium crystal growth using the Czochralski method and comprehensive unsteady modeling of the same crystal growth processes, taking into account global heat transfer, melt flow and melt/crystal interface shape evolution. Thermal stresses in the crystal and their relaxation with generation of dislocations within the Alexander-Haasen model have been calculated simultaneously with crystallization dynamics. Comparison to experimental data showed reasonable agreement for the temperature, interface shape and dislocation density in the crystal between calculation and experiment.

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.

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.

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.

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.

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.

Incorporating seismic observations into 2D conduit flow modeling

NASA Astrophysics Data System (ADS)

Collier, L.; Neuberg, J.

2006-04-01

Conduit flow modeling aims to understand the conditions of magma at depth, and to provide insight into the physical processes that occur inside the volcano. Low-frequency events, characteristic to many volcanoes, are thought to contain information on the state of magma at depth. Therefore, by incorporating information from low-frequency seismic analysis into conduit flow modeling a greater understanding of magma ascent and its interdependence on magma conditions and physical processes is possible. The 2D conduit flow model developed in this study demonstrates the importance of lateral pressure and parameter variations on overall magma flow dynamics, and the substantial effect bubbles have on magma shear viscosity and on magma ascent. The 2D nature of the conduit flow model developed here allows in depth investigation into processes which occur at, or close to the wall, such as magma cooling and brittle failure of melt. These processes are shown to have a significant effect on magma properties and therefore, on flow dynamics. By incorporating low-frequency seismic information, an advanced conduit flow model is developed including the consequences of brittle failure of melt, namely friction-controlled slip and gas loss. This model focuses on the properties and behaviour of magma at depth within the volcano, and their interaction with the formation of seismic events by brittle failure of melt.

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

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.

In situ probing of pulsed laser melting and laser-induced periodic surface structures formation by dynamic reflectivity

NASA Astrophysics Data System (ADS)

Huynh, T. T. D.; Semmar, N.

2017-09-01

The melting process and nanostructure formation induced by nanosecond and picosecond laser pulses on bulk silicon and copper thin film were studied by ex situ analysis and in situ real time reflectivity. Three different probing wavelengths (633, 473 and 326 nm) were used during the pump laser processing and were correlated to the beam parameters (pulse duration, laser fluence and number of laser shots) and copper thin film thickness. On a silicon surface using a KrF laser beam (27 ns, 1 Hz, 248 nm), the melting threshold was determined close to 700 mJ cm-2 and the melting duration increased from 10 to 130 ns as the fluence increased from 700 to 1750 mJ cm-2. Nanostructures with a spatial period close to the laser wavelength were formed on both copper thin film and silicon substrate after nanosecond Nd:YAG laser (10 ns, 266 nm, 1 Hz) irradiation. In the picosecond regime, using an Nd:YAG laser (40 ps, 266 nm, 1 Hz), different nanostructures, from spikes to laser-induced periodic surface structures, were formed on 500 nm copper thin film and were analyzed with respect to the drop in dynamic reflectivity changes versus the number of laser shots.

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.

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.

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.

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.

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).

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.

Polychlorinated Biphenyls in a Temperate Alpine Glacier: 2. Model Results of Chemical Fate Processes.

PubMed

Steinlin, Christine; Bogdal, Christian; Pavlova, Pavlina A; Schwikowski, Margit; Lüthi, Martin P; Scheringer, Martin; Schmid, Peter; Hungerbühler, Konrad

2015-12-15

We present results from a chemical fate model quantifying incorporation of polychlorinated biphenyls (PCBs) into the Silvretta glacier, a temperate Alpine glacier located in Switzerland. Temperate glaciers, in contrast to cold glaciers, are glaciers where melt processes are prevalent. Incorporation of PCBs into cold glaciers has been quantified in previous studies. However, the fate of PCBs in temperate glaciers has never been investigated. In the model, we include melt processes, inducing elution of water-soluble substances and, conversely, enrichment of particles and particle-bound chemicals. The model is validated by comparing modeled and measured PCB concentrations in an ice core collected in the Silvretta accumulation area. We quantify PCB incorporation between 1900 and 2010, and discuss the fate of six PCB congeners. PCB concentrations in the ice core peak in the period of high PCB emissions, as well as in years with strong melt. While for lower-chlorinated PCB congeners revolatilization is important, for higher-chlorinated congeners, the main processes are storage in glacier ice and removal by particle runoff. This study gives insight into PCB fate and dynamics and reveals the effect of snow accumulation and melt processes on the fate of semivolatile organic chemicals in a temperate Alpine glacier.

Study on stainless steel electrode based on dynamic aluminum liquid corrosion mechanism.

PubMed

Hou, Hua; Yang, Ruifeng

2009-01-01

Scanning electrion microscope (SEM) was performed for investigations on the corrosion mechanism of stainless steel electrode in dynamic melting aluminum liquid. Microstructures and composition analysis was made by electron probe analysis (EPA) combined with metallic phase analysis. It can be concluded that the corrosion process is mainly composed of physical corrosion (flowing and scouring corrosion) and chemical corrosion (forming FeAl and Fe2Al5) and the two mechanisms usually exist simultaneously. The corrosion interface thickness is about 10 μm, which is different to usual interface width of hundreds μm in the static melting Al with iron matrix.

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.

Unlocking the Secrets of the Mantle Wedge: New Insights Into Melt Generation Processes in Subduction Zones

NASA Astrophysics Data System (ADS)

Grove, T. L.

2007-05-01

Recent laboratory studies of the melting and crystallization behavior of mantle peridotite and subduction zone lavas have led to new insights into melting processes in island arc settings. Melting of the mantle wedge in the presence of H2O begins at much lower temperatures than previously thought. The solidus of mantle peridotite at 3 GPa is ~ 800 °C, which is 200 °C below previous estimates. At pressures greater than 2.4 GPa chlorite becomes a stable phase on the solidus and it remains stable until ~ 3.5 GPa. Therefore, melting over this pressure range occurs in the presence of chlorite, which contains ~ 12 wt. % H2O. Chlorite stabilized on the peridotite solidus by slab-derived H2O may be the ultimate source of H2O for subduction zone magmatism. Thus, chlorite could transport large amounts of H2O into the descending mantle wedge to depths where it can participate in melting to generate hydrous arc magmas. Our ability to identify primitive mantle melts at subduction zones has led to the following observations. 1) Primitive mantle melts show evidence of final equilibration at shallow depths near the mantle - crust boundary. 2) They contain variable amounts of dissolved H2O (up to 6 wt. %). 3) They record variable extents of melting (up to > 25 wt. %). To produce melts with such variable characteristics requires more than one melting process and requires consideration of a new type of melting called hydrous flux melting. Flux melting occurs when the H2O - rich melt initially produced on the solidus near the base of the mantle wedge ascends and continuously reacts with overlying hotter, shallower mantle. The mantle melts and magmatic H2O content is constantly diluted as the melt ascends and reacts with shallower, hotter mantle. Anhydrous mantle melts are also found in close temporal and spatial proximity to hydrous flux melts. These melts are extracted at similar depths near the top of the mantle wedge when mantle is advected up and into the wedge corner and melted by adiabatic decompression. In light of these new insights into the chemical processes that lead to melt generation in subduction zones, further study of the influence of mantle dynamics and physical processes on melting is crucial. Variations in mantle permeability near the base of the wedge may exercise important controls on the access of fluids and/or melts to the overlying wedge. The presence of chlorite in the wedge may also influence rheological properties and seismicity in the vicinity of the slab - wedge interface. Improved knowledge of rheology and permeability will help us to develop more robust models of mantle flow and temperature distribution in the mantle wedge. These are crucial for refining melting models. By combining evidence from petrology, geochemistry and geophysics the mysteries that attend the generation of melt in the mantle wedge can be resolved.

The effects of polymer carrier, hot melt extrusion process and downstream processing parameters on the moisture sorption properties of amorphous solid dispersions.

PubMed

Feng, Xin; Vo, Anh; Patil, Hemlata; Tiwari, Roshan V; Alshetaili, Abdullah S; Pimparade, Manjeet B; Repka, Michael A

2016-05-01

The aim of this study was to evaluate the effect of polymer carrier, hot melt extrusion and downstream processing parameters on the water uptake properties of amorphous solid dispersions. Three polymers and a model drug were used to prepare amorphous solid dispersions utilizing the hot melt extrusion technology. The sorption-desorption isotherms of solid dispersions and their physical mixtures were measured by the dynamic vapour sorption system, and the effects of polymer hydrophobicity, hygroscopicity, molecular weight and the hot melt extrusion process were investigated. Fourier transform infrared (FTIR) imaging was performed to understand the phase separation driven by the moisture. Solid dispersions with polymeric carriers with lower hydrophilicity, hygroscopicity and higher molecular weight could sorb less moisture under the high relative humidity (RH) conditions. The water uptake ability of polymer-drug solid dispersion systems were decreased compared with the physical mixture after hot melt extrusion, which might be due to the decreased surface area and porosity. The FTIR imaging indicated that the homogeneity of the drug molecularly dispersed within the polymer matrix was changed after exposure to high RH. Understanding the effect of formulation and processing on the moisture sorption properties of solid dispersions is essential for the development of drug products with desired physical and chemical stability. © 2015 Royal Pharmaceutical Society.

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.

Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material

DOE PAGES

Li, Junjie; Wang, Xuan; Zhou, Haidong; ...

2016-07-29

Here, we report a direct and real time measurement of photoinduced structure phase transition in single crystal La 0.84Sr 0.16MnO 3 using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. Furthermore, the fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion followingmore » the photo-excitation. We attribute the slow process to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.« less

Dynamic laser piercing of thick section metals

NASA Astrophysics Data System (ADS)

Pocorni, Jetro; Powell, John; Frostevarg, Jan; Kaplan, Alexander F. H.

2018-01-01

Before a contour can be laser cut the laser first needs to pierce the material. The time taken to achieve piercing should be minimised to optimise productivity. One important aspect of laser piercing is the reliability of the process because industrial laser cutting machines are programmed for the minimum reliable pierce time. In this work piercing experiments were carried out in 15 mm thick stainless steel sheets, comparing a stationary laser and a laser which moves along a circular trajectory with varying processing speeds. Results show that circular piercing can decrease the pierce duration by almost half compared to stationary piercing. High speed imaging (HSI) was employed during the piercing process to understand melt behaviour inside the pierce hole. HSI videos show that circular rotation of the laser beam forces melt to eject in opposite direction of the beam movement, while in stationary piercing the melt ejects less efficiently in random directions out of the hole.

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

Simulation on Melting Process of Water Using Molecular Dynamics Method

NASA Astrophysics Data System (ADS)

Okawa, Seiji; Saito, Akio; Kang, Chaedong

Simulation on phase change from ice to water was presented using molecular dynamics method. 576molecules were placed in a cell at ice forming arrangement. The volume of the cell was fixed so that the density of ice was kept at 923 kg/m3. Periodic boundary condition was used. According to the phase diagram of water, melting point of ice at the density of 923 kg/m3 is about 400 K. In order to perform melting process from surface, only the molecules near the boundary were scaled at each time step to keep its average temperature at 420 K, and the average temperature of other molecules were set to 350 K as initial condition. By observing time variation of the change in molecular arrangement, it was found that the hydrogen bond network near the boundary surface started to break its configuration and the melting surface moved towards the center until no more ice forming configuration was observed. This phenomenon was also discussed in a form of temperature and energy variation. The total energy increased and reached to a steady state at the time around 6.5 ps. This increment was due to the energy supplied from the boundary at a constant temperature. The temperature in the cell kept almost constant at 380 K during the period between 0.6 and 5.5 ps. This period coincides with melting process observed in molecular arrangement. Hence, it can be said that 380 K corresponds to the melting point. The total energy stored in the cell consisted of sensible and latent heat. Specific heat of water and ice were calculated, and they were found to be 5.6 kJ/kg·K and 3.7 kJ/kg·K, respectively. Hence, latent heat was found to be 316kJ/kg. These values agreed quite well to the physical properties of water.

Mixing Dynamics Induced by Traveling Magnetic Fields

NASA Technical Reports Server (NTRS)

Grugel, Richard N.; Mazuruk, Konstantin

2000-01-01

Microstructural and compositional homogeneity in metals and alloys can only be achieved if the initial melt is homogeneous prior to the onset of solidification processing. Naturally induced convection may initially facilitate this requirement but upon the onset of solidification significant compositional variations generally arise leading to undesired segregation. Application of alternating magnetic fields to promote a uniform bulk liquid concentration during solidification processing has been suggested. To investigate such possibilities an initial study of using traveling magnetic fields (TMF) to promote melt homogenization is reported in this work. Theoretically, the effect of TMF-induced convection on mixing phenomena is studied in the laminar regime of flow. Experimentally, with and without applied fields, both: mixing dynamics by optically monitoring the spreading of an initially localized dye in transparent fluids and, compositional variations in metal alloys have been investigated.

Mixing Dynamics Induced by Traveling Magnetic Fields

NASA Technical Reports Server (NTRS)

Grugel, Richard N.; Mazuruk, Konstantin; Rose, M. Franklin (Technical Monitor)

2001-01-01

Microstructural and compositional homogeneity in metals and alloys can only be achieved if the initial melt is homogeneous prior to the onset of solidification processing. Naturally induced convection may initially facilitate this requirement but upon the onset of solidification significant compositional variations generally arise leading to undesired segregation. Application of alternating magnetic fields to promote a uniform bulk liquid concentration during solidification processing has been suggested. To investigate such possibilities an initial study of using traveling magnetic fields (TMF) to promote melt homogenization is reported in this work. Theoretically, the effect of TMF-induced convection on mixing phenomena is studied in the laminar regime of flow. Experimentally, with and without applied fields, both 1) mixing dynamics by optically monitoring the spreading of an initially localized dye in transparent fluids and, 2) compositional variations in metal alloys have been investigated.

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.

Metal and polymer melt jet formation by the high-power laser ablation

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; Gojani, Ardian B.

2010-02-01

The laser-induced metal and polymer melt jets are studied experimentally. Two classes of physical phenomena of interest are: first, the process of explosive phase change of laser induced surface ablation and second, the hydrodynamic jetting of liquid melts ejected from a beamed spot. We focus on the dynamic link between these two distinct physical phenomena in a framework of forming and patterning of metallic and polymer jets using a high-power Nd:YAG laser. The microexplosion of ablative spot on a target first forms a pocket of hot liquid melt and then it is followed by a sudden volume change of gas-liquid mixture leading to a pressure-induced spray jet ejection into surrounding medium.

The delivery of organic contaminants to the Arctic food web: why sea ice matters.

PubMed

Pućko, Monika; Stern, Gary A; Macdonald, Robie W; Jantunen, Liisa M; Bidleman, Terry F; Wong, Fiona; Barber, David G; Rysgaard, Søren

2015-02-15

For decades sea ice has been perceived as a physical barrier for the loading of contaminants to the Arctic Ocean. We show that sea ice, in fact, facilitates the delivery of organic contaminants to the Arctic marine food web through processes that: 1) are independent of contaminant physical-chemical properties (e.g. 2-3-fold increase in exposure to brine-associated biota), and 2) depend on physical-chemical properties and, therefore, differentiate between contaminants (e.g. atmospheric loading of contaminants to melt ponds over the summer, and their subsequent leakage to the ocean). We estimate the concentrations of legacy organochlorine pesticides (OCPs) and current-use pesticides (CUPs) in melt pond water in the Beaufort Sea, Canadian High Arctic, in 2008, at near-gas exchange equilibrium based on Henry's law constants (HLCs), air concentrations and exchange dynamics. CUPs currently present the highest risk of increased exposures through melt pond loading and drainage due to the high ratio of melt pond water to seawater concentration (Melt pond Enrichment Factor, MEF), which ranges from 2 for dacthal to 10 for endosulfan I. Melt pond contaminant enrichment can be perceived as a hypothetical 'pump' delivering contaminants from the atmosphere to the ocean under ice-covered conditions, with 2-10% of CUPs annually entering the Beaufort Sea via this input route compared to the standing stock in the Polar Mixed Layer of the ocean. The abovementioned processes are strongly favored in first-year ice compared to multi-year ice and, therefore, the dynamic balance between contaminant inventories and contaminant deposition to the surface ocean is being widely affected by the large-scale icescape transition taking place in the Arctic. Copyright © 2014 Elsevier B.V. All rights reserved.

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.

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.

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.

Modeling frictional melt injection to constrain coseismic physical conditions

NASA Astrophysics Data System (ADS)

Sawyer, William J.; Resor, Phillip G.

2017-07-01

Pseudotachylyte, a fault rock formed through coseismic frictional melting, provides an important record of coseismic mechanics. In particular, injection veins formed at a high angle to the fault surface have been used to estimate rupture directivity, velocity, pulse length, stress drop, as well as slip weakening distance and wall rock stiffness. These studies have generally treated injection vein formation as a purely elastic process and have assumed that processes of melt generation, transport, and solidification have little influence on the final vein geometry. Using a pressurized crack model, an analytical approximation of injection vein formation based on dike intrusion, we find that the timescales of quenching and flow propagation may be similar for a subset of injection veins compiled from the Asbestos Mountain Fault, USA, Gole Larghe Fault Zone, Italy, and the Fort Foster Brittle Zone, USA under minimum melt temperature conditions. 34% of the veins are found to be flow limited, with a final geometry that may reflect cooling of the vein before it reaches an elastic equilibrium with the wall rock. Formation of these veins is a dynamic process whose behavior is not fully captured by the analytical approach. To assess the applicability of simplifying assumptions of the pressurized crack we employ a time-dependent finite-element model of injection vein formation that couples elastic deformation of the wall rock with the fluid dynamics and heat transfer of the frictional melt. This finite element model reveals that two basic assumptions of the pressurized crack model, self-similar growth and a uniform pressure gradient, are false. The pressurized crack model thus underestimates flow propagation time by 2-3 orders of magnitude. Flow limiting may therefore occur under a wider range of conditions than previously thought. Flow-limited veins may be recognizable in the field where veins have tapered profiles or smaller aspect ratios than expected. The occurrence and shape of injection veins can be coupled with modeling to provide an independent estimate of minimum melt temperature. Finally, the large aspect ratio observed for all three populations of injection veins may be best explained by a large reduction in stiffness associated with coseismic damage, as injection vein growth is likely to far exceed the lifetime of dynamic stresses at any location along a fault.

Numerical investigation on the batch characteristics of liquid encapsulated vertical Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Lan, C. W.; Ting, C. C.

1995-04-01

Since the liquid encapsulated vertical Bridgman (LEVB) crystal growth is a batch process, it is time dependent in nature. A numerical simulation is conducted to study the unsteady features of the process, including the dynamic evolution of heat flow, growth rate, and interface morphology during crystal growth. The numerical model, which is governed by time-dependent equations for momentum and energy transport, and the conditions for evolution of melt/crystal and melt/encapsulant interfaces, is approximated by a body-fitted coordinate finite-volume method. The resulting differential/algebraic equations are then solved by the ILU (0) preconditioned DASPK code. Sample calculations are mainly conducted for GaAs. Dynamic effects of some process parameters, such as the growth speed, the ambient temperature profile, and ampoule design, are illustrated through calculated results. Due to the heat of fusion release and time-dependent end effects, in some cases a near steady-state operation is not possible. The control of growth front by modifying the ambient temperature profile is also demonstrated. Calculations are also performed for a 4.8 cm diameter InP crystal. The calculated melt/seed interface shape is compared with the measured one from Matsumoto et al. [J. Crystal Growth 132 (1993) 348] and they are in good agreement.

Nanoscale soldering of axially positioned single-walled carbon nanotubes: a molecular dynamics simulation study.

PubMed

Cui, Jianlei; Yang, Lijun; Zhou, Liang; Wang, Yang

2014-02-12

The miniaturization of electronics devices into the nanometer scale is indispensable for next-generation semi-conductor technology. Carbon nanotubes (CNTs) are considered to be the promising candidates for future interconnection wires. To study the carbon nanotubes interconnection during nanosoldering, the melting process of nanosolder and nanosoldering process between single-walled carbon nanotubes are simulated with molecular dynamics method. As the simulation results, the melting point of 2 nm silver solder is about 605 K because of high surface energy, which is below the melting temperature of Ag bulk material. In the nanosoldering process simulations, Ag atoms may be dragged into the nanotubes to form different connection configuration, which has no apparent relationship with chirality of SWNTs. The length of core filling nanowires structure has the relationship with the diameter, and it does not become longer with the increasing diameter of SWNT. Subsequently, the dominant mechanism of was analyzed. In addition, as the heating temperature and time, respectively, increases, more Ag atoms can enter the SWNTs with longer length of Ag nanowires. And because of the strong metal bonds, less Ag atoms can remain with the tight atomic structures in the gap between SWNT and SWNT. The preferred interconnection configurations can be achieved between SWNT and SWNT in this paper.

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.

The Deep Crust Magmatic Refinery, Part 2 : The Magmatic Output of Numerical Models.

NASA Astrophysics Data System (ADS)

Bouilhol, P.; Riel, N., Jr.; Van Hunen, J.

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 better constrain lower crust processes, we have built up a numerical model [see Riel et al. associated abstract for methods] to explore different parameters, unravelling the complex interplay between melt percolation / crystallization and degassing / re-melting in a so called "hot zone" model. We simulated the intrusion of water bearing mantle melts at the base of an amphibolitized lower crust during a magmatic event that lasts 5 Ma. We varied several parameters such as Moho depth and melt rock ratio to better constrain what controls the final melt / lower crust composition.. We show the evolution of the chemical characteristics of the melt that escape the system during this magmatic event, as well as the resulting lower crust characteristics. We illustrate how the evolution of melt major elements composition reflects the progressive replacement of the crust towards compositions that are dominated by the mantle melt input. The resulting magmas cover a wide range of composition from tonalite to granite, and the modelled lower crust shows all the petrological characteristic of observed lower arc-crust.

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

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.

Fluid mechanics and mass transfer in melt crystal growth: Analysis of the floating zone and vertical Bridgman processes

NASA Technical Reports Server (NTRS)

Brown, R. A.

1986-01-01

This research program focuses on analysis of the transport mechanisms in solidification processes, especially one of interest to the Microgravity Sciences and Applications Program of NASA. Research during the last year has focused on analysis of the dynamics of the floating zone process for growth of small-scale crystals, on studies of the effect of applied magnetic fields on convection and solute segregation in directional solidification, and on the dynamics of microscopic cell formation in two-dimensional solidification of binary alloys. Significant findings are given.

Thermo-optical Modelling of Laser Matter Interactions in Selective Laser Melting Processes.

NASA Astrophysics Data System (ADS)

Vinnakota, Raj; Genov, Dentcho

Selective laser melting (SLM) is one of the promising advanced manufacturing techniques, which is providing an ideal platform to manufacture components with zero geometric constraints. Coupling the electromagnetic and thermodynamic processes involved in the SLM, and developing the comprehensive theoretical model of the same is of great importance since it can provide significant improvements in the printing processes by revealing the optimal parametric space related to applied laser power, scan velocity, powder material, layer thickness and porosity. Here, we present a self-consistent Thermo-optical model which simultaneously solves the Maxwell's and the heat transfer equations and provides an insight into the electromagnetic energy released in the powder-beds and the concurrent thermodynamics of the particles temperature rise and onset of melting. The numerical calculations are compared with developed analytical model of the SLM process providing insight into the dynamics between laser facilitated Joule heating and radiation mitigated rise in temperature. These results provide guidelines toward improved energy efficiency and optimization of the SLM process scan rates. The current work is funded by the NSF EPSCoR CIMM project under award #OIA-1541079.

Electromelting of confined monolayer ice.

PubMed

Qiu, Hu; Guo, Wanlin

2013-05-10

In sharp contrast to the prevailing view that electric fields promote water freezing, here we show by molecular dynamics simulations that monolayer ice confined between two parallel plates can melt into liquid water under a perpendicularly applied electric field. The melting temperature of the monolayer ice decreases with the increasing strength of the external field due to the field-induced disruption of the water-wall interaction induced well-ordered network of the hydrogen bond. This electromelting process should add an important new ingredient to the physics of water.

Tunable mega-ampere electron current propagation in solids by dynamic control of lattice melt

DOE PAGES

MacLellan, D.  A.; Carroll, D.  C.; Gray, R.  J.; ...

2014-10-31

The influence of lattice-melt-induced resistivity gradients on the transport of mega-ampere currents of fast electrons in solids is investigated numerically and experimentally using laser-accelerated protons to induce isochoric heating. Tailoring the heating profile enables the resistive magnetic fields which strongly influence the current propagation to be manipulated. This tunable laser-driven process enables important fast electron beam properties, including the beam divergence, profile, and symmetry to be actively tailored, and without recourse to complex target manufacture.

Superheating of monolayer ice in graphene nanocapillaries

NASA Astrophysics Data System (ADS)

Zhu, YinBo; Wang, FengChao; Wu, HengAn

2017-04-01

The freezing and melting of low-dimensional materials, either via a first-order phase transition or without any discontinuity in thermodynamic, still remain a matter of debate. Melting (superheating) in two-dimensional (2D) ice is fundamentally different from that in bulk counterpart. Here, we perform comprehensive molecular dynamics simulations of the superheating of monolayer ice in graphene nanocapillaries to understand the nature of melting transition in 2D water/ice. We find four different superheating (melting) scenarios can happen in the superheating of monolayer square-like ice, which are closely related to the lateral pressure and the channel width. The anomalous two-stage melting transition with arisen coexistence phase is found, which reveals the unknown extraordinary characteristics of melting in 2D water/ice. Under ultrahigh lateral pressure, the intermediate monolayer triangular amorphous ice will be formed during the superheating of monolayer square-like ice with both continuous-like and first-order phase transitions. Whereas, under low lateral pressure, the melting in monolayer square-like ice manifests typical discontinuity with notable hysteresis-loop in potential energy during the heating/cooling process. Moreover, we also find that highly puckered monolayer square-like ice can transform into bilayer AB-stacked amorphous ice with square pattern in the superheating process. The superheating behavior under high lateral pressure can be partly regarded as the compression limit of superheated monolayer water. The intrinsic phenomena in our simulated superheating of monolayer ice may be significant for understanding the melting behavior in 2D water/ice.

Superheating of monolayer ice in graphene nanocapillaries.

PubMed

Zhu, YinBo; Wang, FengChao; Wu, HengAn

2017-04-07

The freezing and melting of low-dimensional materials, either via a first-order phase transition or without any discontinuity in thermodynamic, still remain a matter of debate. Melting (superheating) in two-dimensional (2D) ice is fundamentally different from that in bulk counterpart. Here, we perform comprehensive molecular dynamics simulations of the superheating of monolayer ice in graphene nanocapillaries to understand the nature of melting transition in 2D water/ice. We find four different superheating (melting) scenarios can happen in the superheating of monolayer square-like ice, which are closely related to the lateral pressure and the channel width. The anomalous two-stage melting transition with arisen coexistence phase is found, which reveals the unknown extraordinary characteristics of melting in 2D water/ice. Under ultrahigh lateral pressure, the intermediate monolayer triangular amorphous ice will be formed during the superheating of monolayer square-like ice with both continuous-like and first-order phase transitions. Whereas, under low lateral pressure, the melting in monolayer square-like ice manifests typical discontinuity with notable hysteresis-loop in potential energy during the heating/cooling process. Moreover, we also find that highly puckered monolayer square-like ice can transform into bilayer AB-stacked amorphous ice with square pattern in the superheating process. The superheating behavior under high lateral pressure can be partly regarded as the compression limit of superheated monolayer water. The intrinsic phenomena in our simulated superheating of monolayer ice may be significant for understanding the melting behavior in 2D water/ice.

Modeling the Dynamics of Micro- and Macroparticles in a Combined Gas-Discharge Installation

NASA Astrophysics Data System (ADS)

Astashinskii, V. V.; Bogach, M. I.; Burachevskii, A. V.

2016-05-01

We present a model of the dynamics of micro- and macroparticles in a combined gas-discharge installation that accounts for the processes of metal explosion (heating of a metal in its solid state, melting, heating of the liquid metal, intense evaporation, ionization in metal vapor), a magnetohydrodynamic description of plasma acceleration (on the basis of the mass, momentum, and energy conservation laws neglecting the plasma viscosity and thermal conductivity), and a description of the processes of energy transfer from a high-velocity stream to accelerated particles. It has been established that the process of melting terminates in 1.3 ns after the start of the discharge and that the evaporation terminates in 480 ns. The stage of cooling starts in 21 μs. The average density of the plasma upon completion of the evaporation process can be estimated to be 1.7·10-5 g/cm3, with the pressure being of the order of 1.5·104 Pa and the total time of discharge, of about 250 μs.

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.

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.

Investigating role of ice-ocean interaction on glacier dynamic: Results from numerical modeling applied to Petermann Glacier

NASA Astrophysics Data System (ADS)

Nick, F. M.; van der Veen, C. J.; Vieli, A.; Pattyn, F.; Hubbard, A.; Box, J. E.

2010-12-01

Calving of icebergs and bottom melting from ice shelves accounts for roughly half the ice transferred from the Greenland Ice Sheet into the surrounding ocean, and virtually all of the ice loss from the Antarctic Ice Sheet. Petermann Glacier (north Greenland) with its ~17 km wide and ~ 60 km long floating ice-shelf is experiencing high rates of bottom melting. The recent partial disintegration of its shelf (in August 2010) presents a natural experiment to investigate the dynamic response of the ice sheet to its shelf retreat. We apply a numerical ice flow model using a physically-based calving criterion based on crevasse depth to investigate the contribution of processes such as shelf disintegration, bottom melting, sea ice or sikkusak disintegration and surface run off to the mass balance of Petermann Glacier and assess its stability. Our modeling study provides insights into the role of ice-ocean interaction, and on response of Petermann Glacier to its recent massive ice loss.

Simulation of tokamak armour erosion and plasma contamination at intense transient heat fluxes in ITER

NASA Astrophysics Data System (ADS)

Landman, I. S.; Bazylev, B. N.; Garkusha, I. E.; Loarte, A.; Pestchanyi, S. E.; Safronov, V. M.

2005-03-01

For ITER, the potential material damage of plasma facing tungsten-, CFC-, or beryllium components during transient processes such as ELMs or mitigated disruptions are simulated numerically using the MHD code FOREV-2D and the melt motion code MEMOS-1.5D for a heat deposition in the range of 0.5-3 MJ/m 2 on the time scale of 0.1-1 ms. Such loads can cause significant evaporation at the target surface and a contamination of the SOL by the ions of evaporated material. Results are presented on carbon plasma dynamics in toroidal geometry and on radiation fluxes from the SOL carbon ions obtained with FOREV-2D. The validation of MEMOS-1.5D against the plasma gun tokamak simulators MK-200UG and QSPA-Kh50, based on the tungsten melting threshold, is described. Simulations with MEMOS-1.5D for a beryllium first wall that provide important details about the melt motion dynamics and typical features of the damage are reported.

Analysis of moving surface structures at a laser-induced boiling front

NASA Astrophysics Data System (ADS)

Matti, R. S.; Kaplan, A. F. H.

2014-10-01

Recently ultra-high speed imaging enabled to observe moving wave patterns on metal melts that experience laser-induced boiling. In laser materials processing a vertical laser-induced boiling front governs processes like keyhole laser welding, laser remote fusion cutting, laser drilling or laser ablation. The observed waves originate from temperature variations that are closely related to the melt topology. For improved understanding of the essential front mechanisms and of the front topology, for the first time a deeper systematic analysis of the wave patterns was carried out. Seven geometrical shapes of bright or dark domains were distinguished and categorized, in particular bright peaks of three kinds and dark valleys, often inclined. Two categories describe special flow patterns at the top and bottom of the front. Dynamic and statistical analysis has revealed that the shapes often combine or separate from one category to another when streaming down the front. The brightness of wave peaks typically fluctuates during 20-50 μs. This variety of thermal wave observations is interpreted with respect to the accompanying surface topology of the melt and in turn for governing local mechanisms like absorption, shadowing, boiling, ablation pressure and melt acceleration. The findings can be of importance for understanding the key process mechanisms and for optimizing laser materials processing.

Hydrous partial melting in the sheeted dike complex at fast spreading ridges: experimental and natural observations

NASA Astrophysics Data System (ADS)

France, Lydéric; Koepke, Juergen; Ildefonse, Benoit; Cichy, Sarah B.; Deschamps, Fabien

2010-11-01

In ophiolites and in present-day oceanic crust formed at fast spreading ridges, oceanic plagiogranites are commonly observed at, or close to the base of the sheeted dike complex. They can be produced either by differentiation of mafic melts, or by hydrous partial melting of the hydrothermally altered sheeted dikes. In addition, the hydrothermally altered base of the sheeted dike complex, which is often infiltrated by plagiogranitic veins, is usually recrystallized into granoblastic dikes that are commonly interpreted as a result of prograde granulitic metamorphism. To test the anatectic origin of oceanic plagiogranites, we performed melting experiments on a natural hydrothermally altered dike, under conditions that match those prevailing at the base of the sheeted dike complex. All generated melts are water saturated, transitional between tholeiitic and calc-alkaline, and match the compositions of oceanic plagiogranites observed close to the base of the sheeted dike complex. Newly crystallized clinopyroxene and plagioclase have compositions that are characteristic of the same minerals in granoblastic dikes. Published silicic melt compositions obtained in classical MORB fractionation experiments also broadly match the compositions of oceanic plagiogranites; however, the compositions of the coexisting experimental minerals significantly deviate from those of the granoblastic dikes. Our results demonstrate that hydrous partial melting is a likely common process in the root zone of the sheeted dike complex, starting at temperatures exceeding 850°C. The newly formed melt can either crystallize to form oceanic plagiogranites or may be recycled within the melt lens resulting in hybridized and contaminated MORB melts. It represents the main MORB crustal contamination process. The residue after the partial melting event is represented by the granoblastic dikes. Our results support a model with a dynamic melt lens that has the potential to trigger hydrous partial melting reactions in the previously hydrothermally altered sheeted dikes. A new thermometer using the Al content of clinopyroxene is also elaborated.

The modeling, simulation, and control of transport phenomena in a thermally destabilizing Bridgman crystal growth system

NASA Astrophysics Data System (ADS)

Sonda, Paul Julio

This thesis presents a comprehensive examination of the modeling, simulation, and control of axisymmetric flows occurring in a vertical Bridgman crystal growth system with the melt underlying the crystal. The significant complexity and duration of the manufacturing process make experimental optimization a prohibitive task. Numerical simulation has emerged as a powerful tool in understanding the processing issues still prevalent in industry. A first-principles model is developed to better understand the transport phenomena within a representative vertical Bridgman system. The set of conservation equations for momentum, energy, and species concentration are discretized using the Galerkin finite element method and simulated using accurate time-marching schemes. Simulation results detail the occurrence of fascinating nonlinear dynamics, in the form of stable, time-varying behavior for sufficiently large melt regimes and multiple steady flow states. This discovery of time-periodic flows for high intensity flows is qualitatively consistent with experimental observations. Transient simulations demonstrate that process operating conditions have a marked effect on the hydrodynamic behavior within the melt, which consequently affects the dopant concentration profile within the crystal. The existence of nonlinear dynamical behavior within this system motivates the need for feedback control algorithms which can provide superior crystal quality. This work studies the feasibility of using crucible rotation to control flows in the vertical Bridgman system. Simulations show that crucible rotation acts to suppress the axisymmetric flows. However, for the case when the melt lies below the crystal, crucible rotation also acts to accelerate the onset of time-periodic behavior. This result is attributed to coupling between the centrifugal force and the intense, buoyancy-driven flows. Proportional, proportional-integral, and input-output linearizing controllers are applied to vertical Bridgman systems in stabilizing (crystal below the melt) and destabilizing (melt below the crystal) configurations. The spatially-averaged, axisymmetric kinetic energy is the controlled output. The flows are controlled via rotation of the crucible containing the molten material. Simulation results show that feedback controllers using crucible rotation effectively attenuate flow oscillations in a stabilizing configuration with time-varying disturbance. Crucible rotation is not an optimal choice for suppressing inherent flow oscillations in the destabilizing configuration.

Comparative study of crystallization process in metallic melts using ab initio molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Debela, Tekalign T.; Wang, X. D.; Cao, Q. P.; Zhang, D. X.; Jiang, J. Z.

2017-05-01

The crystallization process of liquid metals is studied using ab initio molecular dynamics simulations. The evolution of short-range order during quenching in Pb and Zn liquids is compared with body-centered cubic (bcc) Nb and V, and hexagonal closed-packed (hcp) Mg. We found that the fraction and type of the short-range order depends on the system under consideration, in which the icosahedral symmetry seems to dominate in the body-centered cubic metals. Although the local atomic structures in stable liquids are similar, liquid hcp-like Zn, bcc-like Nb and V can be deeply supercooled far below its melting point before crystallization while the supercooled temperature range in liquid Pb is limited. Further investigations into the nucleation process reveal the process of polymorph selection. In the body-centered cubic systems, the polymorph selection occurs in the supercooled state before the nucleation is initiated, while in the closed-packed systems it starts at the time of onset of crystallization. Atoms with bcc-like lattices in all studied supercooled liquids are always detected before the polymorph selection. It is also found that the bond orientational ordering is strongly correlated with the crystallization process in supercooled Zn and Pb liquids.

Evolution of melt-vapor surface tension in silicic volcanic systems: Experiments with hydrous melts

USGS Publications Warehouse

Mangan, M.; Sisson, T.

2005-01-01

We evaluate the melt-vapor surface tension (??) of natural, water-saturated dacite melt at 200 MPa, 950-1055??C, and 4.8-5.7 wt % H2O. We experimentally determine the critical supersaturation pressure for bubble nucleation as a function of dissolved water and then solve for ?? at those conditions using classical nucleation theory. The solutions obtained give dacite melt-vapor surface tensions that vary inversely with dissolved water from 0.042 (??0.003) J m-2 at 5.7 wt% H2O to 0.060 (??0.007) J m-2 at 5.2 wt% H2O to 0.073 (??0.003) J m-2 at 4.8 wt% H2O. Combining our dacite results with data from published hydrous haplogranite and high-silica rhyolite experiments reveals that melt-vapor surface tension also varies inversely with the concentration of mafic melt components (e.g., CaO, FeOtotal, MgO). We develop a thermodynamic context for these observations in which melt-vapor surface tension is represented by a balance of work terms controlled by melt structure. Overall, our results suggest that cooling, crystallization, and vapor exsolution cause systematic changes in ?? that should be considered in dynamic modeling of magmatic processes.

Volcanic Infillings of Large Basins on Mercury as Indicators of Mantle Thermal State and Composition

NASA Astrophysics Data System (ADS)

Padovan, Sebastiano; Tosi, Nicola; Plesa, Ana-Catalina; Ruedas, Thomas

2017-04-01

The crust of Mercury is mostly the cumulative result of partial melting in the mantle associated with solid-state convection [1]. The details of how the surface composition represents the result of dynamical processes in the interior are difficult to elucidate. Explanations for the observed geochemically varied surface include a heterogeneous mantle, the effects of ancient giant impacts, an evolving mantle composition, or a combination of these processes [e.g., 2]. Here we explore the effects of large impacts on mantle dynamics and associated melt production. With the convection code GAIA we compute thermal evolution histories of Mercury compatible with the expected amount of heat producing elements in the mantle and with the crustal thickness inferred from gravity and topography data. We estimate the thermal anomalies in the mantle generated by large impacts using scaling laws [3]. Impactors have a velocity of 42 km/s and an impact angle of 45°, as appropriate for Mercury [4]. Their size is varied in order to produce basins with diameters in the range from 715 km (Rembrandt) to 1550 km (Caloris). Depending on the timing of the impact, the melt erupting in the basin interior is a combination of convective melt generated at depth and shallow melt resulting from shallow impact-induced convective currents. The volcanic infillings following an impact happening early in the evolution of the planet, when convection is still vigorous, are dominated by convective melt. Later in the evolution, the erupted melt shows the signature of the impact-induced shallow melt. We show that the properties of melt sheets within the young large basins Caloris and Rembrandt depend on the mantle thermal state and composition. In particular, we predict the source depth of the volcanic plains within large young basins to be different from the source depth of older surface units, a result that can help explaining the peculiar composition of the volcanic plains inside Caloris [2, 5]. [1] Tosi N. et al. (2013), JGR-Planets, 118, 2474—2487. [2] Weider S.Z. et al. (2015) EPSL, 416, 109—120. [3] Roberts J.H. and Barnouin O.S. (2012), JGR-Planets, 117, E02007. [4] Le Feuvre M. and Wieczorek M.A. (2008), Icarus, 197, 291—306. [5] Namur O. and Charlier B. (2017), Nature Geosc., 10, 9—13.

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

NASA Astrophysics Data System (ADS)

Steiner, N.; McDonald, K. C.

2017-12-01

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

Local atomic structure inheritance in Ag{sub 50}Sn{sub 50} melt

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

Bai, Yanwen; Bian, Xiufang, E-mail: xfbian@sdu.edu.cn; Qin, Jingyu

2014-01-28

Local structure inheritance signatures were observed during the alloying process of the Ag{sub 50}Sn{sub 50} melt, using high-temperature X-ray diffraction and ab initio molecular dynamics simulations. The coordination number N{sub m} around Ag atom is similar in the alloy and in pure Ag melts (N{sub m} ∼ 10), while, during the alloying process, the local structure around Sn atoms rearranges. Sn-Sn covalent bonds were substituted by Ag-Sn chemical bonds, and the total coordination number around Sn increases by about 70% as compared with those in the pure Sn melt. Changes in the electronic structure of the alloy have been studied by Agmore » and Sn K-edge X-ray absorption spectroscopy, as well as by calculations of the partial density of states. We propose that a leading mechanism for local structure inheritance in Ag{sub 50}Sn{sub 50} is due to s-p dehybridization of Sn and to the interplay between Sn-s and Ag-d electrons.« less

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.

In situ X-ray imaging of defect and molten pool dynamics in laser additive manufacturing.

PubMed

Leung, Chu Lun Alex; Marussi, Sebastian; Atwood, Robert C; Towrie, Michael; Withers, Philip J; Lee, Peter D

2018-04-10

The laser-matter interaction and solidification phenomena associated with laser additive manufacturing (LAM) remain unclear, slowing its process development and optimisation. Here, through in situ and operando high-speed synchrotron X-ray imaging, we reveal the underlying physical phenomena during the deposition of the first and second layer melt tracks. We show that the laser-induced gas/vapour jet promotes the formation of melt tracks and denuded zones via spattering (at a velocity of 1 m s -1 ). We also uncover mechanisms of pore migration by Marangoni-driven flow (recirculating at a velocity of 0.4 m s -1 ), pore dissolution and dispersion by laser re-melting. We develop a mechanism map for predicting the evolution of melt features, changes in melt track morphology from a continuous hemi-cylindrical track to disconnected beads with decreasing linear energy density and improved molten pool wetting with increasing laser power. Our results clarify aspects of the physics behind LAM, which are critical for its development.

Hybrid glasses from strong and fragile metal-organic framework liquids

PubMed Central

Bennett, Thomas D.; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J.; Yeung, Hamish H. -M.; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K.; Greaves, G. Neville

2015-01-01

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density ‘perfect' glass, similar to those formed in ice, silicon and disaccharides. This order–order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order–disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of ‘melt-casting' MOF glasses. PMID:26314784

Hybrid glasses from strong and fragile metal-organic framework liquids.

PubMed

Bennett, Thomas D; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J; Yeung, Hamish H-M; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K; Greaves, G Neville

2015-08-28

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density 'perfect' glass, similar to those formed in ice, silicon and disaccharides. This order-order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order-disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of 'melt-casting' MOF glasses.

Dynamic Ice-Water Interactions Form Europa's Chaos Terrains

NASA Astrophysics Data System (ADS)

Blankenship, D. D.; Schmidt, B. E.; Patterson, G. W.; Schenk, P.

2011-12-01

Unique to the surface of Europa, chaos terrain is diagnostic of the properties and dynamics of its icy shell. We present a new model that suggests large melt lenses form within the shell and that water-ice interactions above and within these lenses drive the production of chaos. This model is consistent with key observations of chaos, predicts observables for future missions, and indicates that the surface is likely still active today[1]. We apply lessons from ice-water interaction in the terrestrial cryosphere to hypothesize a dynamic lense-collapse model to for Europa's chaos terrain. Chaos terrain morphology, like that of Conamara chaos and Thera Macula, suggests a four-phase formation [1]: 1) Surface deflection occurs as ice melts over ascending thermal plumes, as regularly occurs on Earth as subglacial volcanoes activate. The same process can occur at Europa if thermal plumes cause pressure melt as they cross ice-impurity eutectics. 2) Resulting hydraulic gradients and driving forces produce a sealed, pressurized melt lense, akin to the hydraulic sealing of subglacial caldera lakes. On Europa, the water cannot escape the lense due to the horizontally continuous ice shell. 3) Extension of the brittle ice lid above the lense opens cracks, allowing for the ice to be hydrofractured by pressurized water. Fracture, brine injection and percolation within the ice and possible iceberg toppling produces ice-melange-like granular matrix material. 4) Refreezing of the melt lense and brine-filled pores and cracks within the matrix results in raised chaos. Brine soaking and injection concentrates the ice in brines and adds water volume to the shell. As this englacial water freezes, the now water-filled ice will expand, not unlike the process of forming pingos and other "expansion ice" phenomena on Earth. The refreezing can raise the surface and create the oft-observed matrix "domes" In this presentation, we describe how catastrophic ice-water interactions on Earth have informed us about how such dynamics occur on Europa. We will discuss the observations of iceberg and matrix properties that imply shallow liquid water bodies on Europa, argue for the importance of granular mechanics in the interpretation of Europa's geology and present constraints on the properties of its ice shell. [1] Schmidt, B. E., Blankenship, D. D., Patterson, W., Schenk, P: Active chaos formation over shallow subsurface water on Europa, in review, 2011.

Coupled Mechanical and Thermal Modeling of Frictional Melt Injection to Constrain Physical Conditions of the Earthquake Source Region

NASA Astrophysics Data System (ADS)

Sawyer, W.; Resor, P. G.

2016-12-01

Pseudotachylyte, a fault rock formed through coseismic frictional melting, provides an important record of coseismic mechanics. In particular, injection veins formed at a high angle to the fault surface have been used to estimate rupture directivity, velocity, pulse length, stress and strength drop, as well as slip weakening distance and wall rock stiffness. These studies, however, have generally treated injection vein formation as a purely elastic process and have assumed that processes of melt generation, transport, and solidification have little influence on the final vein geometry. Using a modified analytical approximation of injection vein formation based on a dike intrusion model we find that the timescales of quenching and flow propagation are similar for a composite set of injection veins compiled from the Asbestos Mountain Fault, USA (Rowe et al., 2012), Gole Larghe Fault Zone, Italy (Griffith et al., 2012) and the Fort Foster Brittle Zone. This indicates a complex, dynamic process whose behavior is not fully captured by the current approach. To assess the applicability of the simplifying assumptions of the dike model when applied to injection veins we employ a finite-element time-dependent model of injection vein formation. This model couples elastic deformation of the wall rock with the fluid dynamics and heat transfer of the frictional melt. The final geometry of many injection veins is unaffected by the inclusion of these processes. However, some injection veins are found to be flow limited, with a final geometry reflecting cooling of the vein before it reaches an elastic equilibrium with the wall rock. In these cases, numerical results are significantly different from the dike model, and two basic assumptions of the dike model, self-similar growth and a uniform pressure gradient, are shown to be false. Additionally, we apply the finite-element model to provide two new constraints on the Fort Foster coseismic environment: a lower limit on the initial melt temperature of 1400 *C, and either significant coseismic wall rock softening or high transient tensile stress.

Parametric Study of Reactive Melt Infiltration

NASA Technical Reports Server (NTRS)

Nelson, Emily S.; Colella, Phillip

2000-01-01

Reactive melt infiltration is viewed as a promising means of achieving near-net shape manufacturing with quick processing time and at low cost. Since the reactants and products are, in general, of varying density, overall conservation of mass dictates that there is a force related to chemical conversion which can directly influence infiltration behavior. In effect, the driving pressure forces may compete with the forces from chemical conversion, affecting the advancement of the front. We have developed a two-dimensional numerical code to examine these effects, using reaction-formed silicon carbide as a model system for this process. We have examined a range of initial porosities, pore radii, and reaction rates in order to investigate their effects on infiltration dynamics.

Spine growth mechanisms: friction and seismicity at Mt. Unzen, Japan

NASA Astrophysics Data System (ADS)

Hornby, Adrian; Kendrick, Jackie; Hirose, Takehiro; Henton De Angelis, Sarah; De Angelis, Silvio; Umakoshi, Kodo; Miwa, Takahiro; Wadsworth, Fabian; Dingwell, Don; Lavallee, Yan

2014-05-01

The final episode of dome growth during the 1991-1995 eruption of Mt. Unzen was characterised by spine extrusion accompanied by repetitive seismicity. This type of cyclic activity has been observed at several dome-building volcanoes and recent work suggests a source mechanism of brittle failure of magma in the conduit. Spine growth may proceed by densification and closure of permeable pathways within the uppermost conduit magma, leading to sealing of the dome and inflation of the edifice. Amplified stresses on the wall rock and plug cause brittle failure near the conduit wall once static friction forces are overcome, and during spine growth these fractures may propagate to the dome surface. The preservation of these features is rare, and the conduit is typically inaccessible; therefore spines, the extruded manifestation of upper conduit material, provide the opportunity to study direct evidence of brittle processes in the conduit. At Mt. Unzen the spine retains evidence for brittle deformation and slip, however mechanical constraints on the formation of these features and their potential impact on eruption dynamics have not been well constrained. Here, we conduct an investigation into the process of episodic spine growth using high velocity friction apparatus at variable shear slip rate (0.4-1.5 m.s-1) and normal stress (0.4-3.5 MPa) on dome rock from Mt. Unzen, generating frictional melt at velocity >0.4 m.s-1 and normal stress >0.7 MPa. Our results show that the presence of frictional melt causes a deviation from Byerlee's frictional rule for rock friction. Melt generation is a disequilibrium process: initial amphibole breakdown leads to melt formation, followed by chemical homogenization of the melt layer. Ultimately, the experimentally generated frictional melts have a similar final chemistry, thickness and comminuted clast size distribution, thereby facilitating the extrapolation of a single viscoelastic model to describe melt-lubricated slip events at Mt. Unzen. To that end we apply state of the art 2-phase rheological models to estimate the dynamic apparent viscosities acting on the slip plane during a given slip event. Physical parameters of individual slip events in the conduit are constrained through calculation of seismic moments from earthquake swarms recorded during spine growth at Unzen. The combination of experimental data and viscosity modelling for frictional melt with seismic analysis provides a model for material response during slip in the upper conduit at Unzen. This model may have applicability to other eruption modes and volcanoes and further our understanding of cyclic eruptive activity during lava dome formation.

First passage Brownian functional properties of snowmelt dynamics

NASA Astrophysics Data System (ADS)

Dubey, Ashutosh; Bandyopadhyay, Malay

2018-04-01

In this paper, we model snow-melt dynamics in terms of a Brownian motion (BM) with purely time dependent drift and difusion and examine its first passage properties by suggesting and examining several Brownian functionals which characterize the lifetime and reactivity of such stochastic processes. We introduce several probability distribution functions (PDFs) associated with such time dependent BMs. For instance, for a BM with initial starting point x0, we derive analytical expressions for : (i) the PDF P(tf|x0) of the first passage time tf which specify the lifetime of such stochastic process, (ii) the PDF P(A|x0) of the area A till the first passage time and it provides us numerous valuable information about the total fresh water availability during melting, (iii) the PDF P(M) associated with the maximum size M of the BM process before the first passage time, and (iv) the joint PDF P(M; tm) of the maximum size M and its occurrence time tm before the first passage time. These P(M) and P(M; tm) are useful in determining the time of maximum fresh water availability and in calculating the total maximum amount of available fresh water. These PDFs are examined for the power law time dependent drift and diffusion which matches quite well with the available data of snowmelt dynamics.

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

Dynamic crystallization of silicate melts

NASA Technical Reports Server (NTRS)

Russell, W. J.

1984-01-01

Two types of furnaces with differing temperature range capabilities were used to provide variations in melt temperatures and cooling rates in a study of the effects of heterogeneous nucleation on crystallization. Materials of chondrule composition were used to further understanding of how the disequilibrium features displayed by minerals in rocks are formed. Results show that the textures of natural chondrules were duplicated. It is concluded that the melt history is dominant over cooling rate and composition in controlling texture. The importance of nuclei, which are most readily derived from preexisting crystalline material, support an origin for natural chondrules based on remelting of crystalline material. This would be compatible with a simple, uniform chondrule forming process having only slight variations in thermal histories resulting in the wide range of textures.

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.

Modelling ultrafast laser ablation

NASA Astrophysics Data System (ADS)

Rethfeld, Baerbel; Ivanov, Dmitriy S.; E Garcia, Martin; Anisimov, Sergei I.

2017-05-01

This review is devoted to the study of ultrafast laser ablation of solids and liquids. The ablation of condensed matter under exposure to subpicosecond laser pulses has a number of peculiar properties which distinguish this process from ablation induced by nanosecond and longer laser pulses. The process of ultrafast ablation includes light absorption by electrons in the skin layer, energy transfer from the skin layer to target interior by nonlinear electronic heat conduction, relaxation of the electron and ion temperatures, ultrafast melting, hydrodynamic expansion of heated matter accompanied by the formation of metastable states and subsequent formation of breaks in condensed matter. In case of ultrashort laser excitation, these processes are temporally separated and can thus be studied separately. As for energy absorption, we consider peculiarities of the case of metal irradiation in contrast to dielectrics and semiconductors. We discuss the energy dissipation processes of electronic thermal wave and lattice heating. Different types of phase transitions after ultrashort laser pulse irradiation as melting, vaporization or transitions to warm dense matter are discussed. Also nonthermal phase transitions, directly caused by the electronic excitation before considerable lattice heating, are considered. The final material removal occurs from the physical point of view as expansion of heated matter; here we discuss approaches of hydrodynamics, as well as molecular dynamic simulations directly following the atomic movements. Hybrid approaches tracing the dynamics of excited electrons, energy dissipation and structural dynamics in a combined simulation are reviewed as well.

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.

Lead isotope relations in oceanic Ridge basalts from the Juan de Fuca-Gorda Ridge area N.E. Pacific Ocean

USGS Publications Warehouse

Church, S.E.; Tatsumoto, M.

1975-01-01

Lead isotopic analyses of a suite of basaltic rocks from the Juan de Fuca-Gorda Ridge and nearby seamounts confirm an isotopically heterogeneous mantle known since 1966. The process of mixing during partial melting of a heterogeneous mantle necessarily produces linear data arrays that can be interpreted as secondary isochrons. Moreover, the position of the entire lead isotope array, with respect to the geochron, requires that U/Pb and Th/Pb values are progressively increased over the age of the earth. Partial melting theory also dictates analogous behavior for the other incompatible trace elements. This process explains not only the LIL element character of MOR basalts, but also duplicates the spread of radiogenic lead data collected from alkali-rich oceanic basalts. This dynamic, open-system model of lead isotopic and chemical evolution of the mantle is believed to be the direct result of tectonic flow and convective overturn within the mantle and is compatible with geophysical models of a dynamic earth. ?? 1975 Springer-Verlag.

Long-Range Vibrational Dynamics Are Directed by Watson-Crick Base Pairing in Duplex DNA.

PubMed

Hithell, Gordon; Shaw, Daniel J; Donaldson, Paul M; Greetham, Gregory M; Towrie, Michael; Burley, Glenn A; Parker, Anthony W; Hunt, Neil T

2016-05-05

Ultrafast two-dimensional infrared (2D-IR) spectroscopy of a 15-mer A-T DNA duplex in solution has revealed structure-dependent vibrational coupling and energy transfer processes linking bases with the sugar-phosphate backbone. Duplex melting induces significant changes in the positions of off-diagonal peaks linking carbonyl and ring-stretching vibrational modes of the adenine and thymine bases with vibrations of the phosphate group and phosphodiester linkage. These indicate that Watson-Crick hydrogen bonding and helix formation lead to a unique vibrational coupling arrangement of base vibrational modes with those of the phosphate unit. On the basis of observations from time-resolved 2D-IR data, we conclude that rapid energy transfer processes occur between base and backbone, mediated by additional modes located on the deoxyribose moiety within the same nucleotide. These relaxation dynamics are insensitive to duplex melting, showing that efficient intramolecular energy relaxation to the solvent via the phosphate groups is the key to excess energy dissipation in both single- and double-stranded DNA.

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.

NMR (Nuclear Magnetic Resonance) and macromolecular migration in a melt or in concentrated solutions

NASA Technical Reports Server (NTRS)

Addad, J. P. C.

1983-01-01

The purpose of this paper is to analyze the migration process of long polymer molecules in a melt or in concentrated solutions as it may be observed from the dynamics of the transverse magnetization of nuclear spins linked to these chains. The low frequency viscoelastic relaxation of polymer systems is known to be mainly controlled by the mechanism of dissociation of topological constraints excited on chains and which are called entanglements. This mechanism exhibits a strong dependence upon the chain molecular weight. These topological constraints also govern the diffusion process of polymer chains. So, the accurate description of the diffusion motion of a chain may be a convenient way to characterize disentanglement processes necessarily involved in any model proposed to explain viscoelastic effects.

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

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

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.

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.

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.

Fault rheology beyond frictional melting.

PubMed

Lavallée, Yan; Hirose, Takehiro; Kendrick, Jackie E; Hess, Kai-Uwe; Dingwell, Donald B

2015-07-28

During earthquakes, comminution and frictional heating both contribute to the dissipation of stored energy. With sufficient dissipative heating, melting processes can ensue, yielding the production of frictional melts or "pseudotachylytes." It is commonly assumed that the Newtonian viscosities of such melts control subsequent fault slip resistance. Rock melts, however, are viscoelastic bodies, and, at high strain rates, they exhibit evidence of a glass transition. Here, we present the results of high-velocity friction experiments on a well-characterized melt that demonstrate how slip in melt-bearing faults can be governed by brittle fragmentation phenomena encountered at the glass transition. Slip analysis using models that incorporate viscoelastic responses indicates that even in the presence of melt, slip persists in the solid state until sufficient heat is generated to reduce the viscosity and allow remobilization in the liquid state. Where a rock is present next to the melt, we note that wear of the crystalline wall rock by liquid fragmentation and agglutination also contributes to the brittle component of these experimentally generated pseudotachylytes. We conclude that in the case of pseudotachylyte generation during an earthquake, slip even beyond the onset of frictional melting is not controlled merely by viscosity but rather by an interplay of viscoelastic forces around the glass transition, which involves a response in the brittle/solid regime of these rock melts. We warn of the inadequacy of simple Newtonian viscous analyses and call for the application of more realistic rheological interpretation of pseudotachylyte-bearing fault systems in the evaluation and prediction of their slip dynamics.

A Mathematical Model of Melt Lake Development on an Ice Shelf

NASA Astrophysics Data System (ADS)

Buzzard, S. C.; Feltham, D. L.; Flocco, D.

2018-02-01

The accumulation of surface meltwater on ice shelves can lead to the formation of melt lakes. Melt lakes have been implicated in ice shelf collapse; Antarctica's Larsen B Ice Shelf was observed to have a large amount of surface melt lakes present preceding its collapse in 2002. Such collapse can affect ocean circulation and temperature, cause habitat loss and contribute to sea level rise through the acceleration of tributary glaciers. We present a mathematical model of a surface melt lake on an idealized ice shelf. The model incorporates a calculation of the ice shelf surface energy balance, heat transfer through the firn, the production and percolation of meltwater into the firn, the formation of ice lenses, and the development and refreezing of surface melt lakes. The model is applied to the Larsen C Ice Shelf, where melt lakes have been observed. This region has warmed several times the global average over the last century and the Larsen C firn layer could become saturated with meltwater by the end of the century. When forced with weather station data, our model produces surface melting, meltwater accumulation, and melt lake development consistent with observations. We examine the sensitivity of lake formation to uncertain parameters and provide evidence of the importance of processes such as lateral meltwater transport. We conclude that melt lakes impact surface melt and firn density and warrant inclusion in dynamic-thermodynamic models of ice shelf evolution within climate models, of which our model could form the basis for the thermodynamic component.

Tailoring characteristic thermal stability of Ni-Au binary nanocrystals via structure and composition engineering: theoretical insights into structural evolution and atomic inter-diffusion

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

Li, Bangquan; Wang, Hailong; Xing, Guozhong

We report on the structural evolution and atomic inter-diffusion characteristics of the bimetallic Ni-Au nanocrystals (NCs) by molecular dynamics simulations studies. Our results reveal that the thermal stability dynamics of Ni-Au NCs strongly depends on the atomic configurations. By engineering the structural construction with Ni:Au = 1:1 atomic composition, compared with core-shell Au@Ni and alloy NCs, the melting point of core-shell Ni@Au NCs is significantly enhanced up to 1215 K. Unexpectedly, with atomic ratio of Au:Ni= 1:9, the melting process initiates from the atoms in the shell of Ni@Au and alloy NCs, while starts from the core of Au@Ni NCs.more » The corresponding features and evolution process of structural motifs, mixing and segregation are illustrated via a series of dynamic simulations videos. Moreover, our results revealed that the face centered cubic phase Au{sub 0.75}Ni{sub 0.25} favorably stabilizes in NCs form but does not exist in the bulk counterpart, which elucidates the anomalies of previously reported experimental results on such bimetallic NCs.« less

Coupling Fluid Dynamics and Multiphase Disequilibria: Applications to Eutectic and Peritectic Systems

NASA Astrophysics Data System (ADS)

Tweed, L. E. L.; Spiegelman, M. W.; Kelemen, P. B.

2017-12-01

Computational thermodynamics has yielded great insights into petrological processes. However, on its own it cannot capture the inherently dynamic nature of many of these processes which depend on the interaction between time-dependent processes including advection, diffusion and chemical reaction. To understand this interplay, and to move away from a purely equilibrium view, requires the integration of computational thermodynamics and fluid mechanics. A key aspect of doing this is the treatment of chemical reactions as time-dependent, irreversible processes. Such a development is integral to understanding a host of petrological questions from the open system evolution of magma chambers to the dynamics of melt migration beneath mid-ocean ridges and flux melting of the mantle wedge in subduction zones. A simple thermodynamically consistent reactive model is developed that can be integrated with conservation equations for mass, momentum and energy. The model rests on the thermodynamic characterization of an independent set of reactions and has the advantage of being completely general and easily extensible to systems comprising multiple solid and liquid phases. The underlying theory is described in detail in another contribution in this session. Here we apply the framework to experimentally constrained simple systems of petrological interest including the fo-qz binary and the fo-qz-k2o ternary. These systems contain a variety of phase topologies including eutectic and peritectic reactions. As the model allows for the seamless exhaustion and stabilization of phases, we can explore the effect that these discontinuous changes have on the compositional and dynamic evolution of the system. To do this we track how the systems respond to sudden changes in intensive variables that perturb them from equilibrium. Such changes are rife in crustal magmatic systems. Simulations for decompression melting are also run to explore the interplay between reactive and advective fluxes. Buffering between the multiple reactions can result in surprising reaction paths highlighting that micro-mechanics could play a significant role in magmatic evolution. By building up the complexity of the problems gradually, we develop an intuition for the effect of model choices including the kinetic law and the set of reactions used.

Molecular ordering and molecular dynamics in isotactic-polypropylene characterized by solid state NMR.

PubMed

Miyoshi, Toshikazu; Mamun, Al; Hu, Wei

2010-01-14

The order-disorder phenomenon of local packing structures, space heterogeneity, and molecular dynamics and average lamellar thickness, , of the alpha form of isotactic polypropylene (iPP) crystallized at various supercooling temperatures, DeltaT, are investigated by solid-state (SS) NMR and SAXS, respectively. increases with lowering DeltaT, and extrapolations of (-1) versus averaged melting point, , gives an equilibrium melting temperature, T(m)(0) = 457 +/- 4 K. High-power TPPM decoupling with a field strength of 110 kHz extremely improves (13)C high-resolution SS-NMR spectral resolution of the ordered crystalline signals at various DeltaT. A high-resolution (13)C SS-NMR spectrum combined with a conventional spin-lattice relaxation time in the rotating frame (T(1rhoH)) filter easily accesses an order-disorder phenomenon for upward and downward orientations of stems and their packing in the crystalline region. It is found that ordered packing fraction, f(order), increases with lowering DeltaT and reaches a maximum value of 62% at DeltaT = 34 K. The ordering phenomenon of stem packing indicates that chain-folding direction changes from random in the disordered packing to order in the ordered packing along the a sin theta axis under a hypothesis of adjacent re-entry structures. It is also found that f(order) significantly increases prior to enhancement of lamellar thickness. Additionally, annealing experiments indicate that is significantly enhanced after a simultaneous process of partial melting and recrystallization/reorganization into the ordered packing at annealing temperature >/=423 K. Furthermore, the center-bands only detection of exchange (CODEX) NMR method demonstrates that time-kinetic parameters of helical jump motions are highly influenced by DeltaT. These dynamic constraints are interpreted in terms of increment of and packing ordering. Through these new results related to molecular structures and dynamics, roles of polymer chain trajectory and molecular dynamics for the lamellar thickening process are discussed.

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.

Transport processes in directional solidification and their effects on microstructure development

NASA Astrophysics Data System (ADS)

Mazumder, Prantik

The processing of materials with unique electronic, mechanical, optical and thermal properties plays a crucial role in modern technology. The quality of these materials depend strongly on the microstructures and the solute/dopant fields in the solid product, that are strongly influenced by the intricate coupling of heat and mass transfer and melt flow in the growth systems. An integrated research program is developed that include precisely characterized experiments and detailed physical and numerical modeling of the complex transport and dynamical processes. Direct numerical simulation of the solidification process is carried out that takes into account the unsteady thermo-solutal convection in the vertical Bridgman crystal growth system, and accurately models the thermal interaction between the furnace and the ampoule by appropriately using experimentally measured thermal profiles. The flow instabilities and transitions and the nonlinear evolution following the transitions are investigated by time series and flow pattern analysis. A range of complex dynamical behavior is predicted with increasing thermal Rayleigh number. The route to chaos appears as: steady convection --> transient mono-periodic --> transient bi-periodic --> transient quasiperiodic --> transient intermittent oscillation- relaxation --> stable intermittent oscillation-relaxation attractor. The spatio-temporal dynamics of the melt flow is found to be directly related to the spatial patterns observed experimentally in the solidified crystals. The application of the model to two phase Sn-Cd peritectic alloys showed that a new class of tree-like oscillating microstructure develops in the solid phase due to unsteady thermo-solutal convection in the liquid melt. These oscillating layered structures can give the illusion of band structures on a plane of polish. The model is applied to single phase solidification in the Al-Cu and Pb-Sn systems to characterize the effect of convection on the macroscopic shape and disorder in the primary arm spacing of the cellular/dendritic freezing front. The apparently puzzling experimental observation of higher disorder in the weakly convective Al-Cu system than that in the highly convective Pb-Sn system is explained by the numerical calculations.

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.

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.

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.

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.

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

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.

Stability and thermal behavior of molybdenum disulfide nanotubes: Nonequilibrium molecular dynamics simulation using REBO potential

NASA Astrophysics Data System (ADS)

Ahadi, Zohreh; Shadman Lakmehsari, Muhammad; Kumar Singh, Sandeep; Davoodi, Jamal

2017-12-01

This study is an attempt to perform equilibrium molecular dynamics and non-equilibrium molecular dynamics (NEMD) to evaluate the stability and thermal behavior of molybdenum disulfide nanotubes (MoS2NTs) by reactive empirical bond order potential. The stability of nanotubes, cohesive energy, isobaric heat capacity, and enthalpies of fusion in armchair and zigzag structures with different radii were calculated. The observed results illustrate that SWMoS2NTs, which have larger diameters, are more stable with more negative energy than the smaller ones. Moreover, it was found that the melting point is increased with an increase in the nanotube's radius. During the melting process, the structural transformation of nanotubes was investigated using a mean-square displacement and radial distribution function diagrams. Afterwards, using a NEMD simulation, the thermal conductivity of nanotubes with various diameters was calculated at a constant nanotube length. The obtained results show that the thermal conductivity coefficient increases with increasing nanotube diameters when the nanotube length is constant.

Numerical Modeling of Fluid Flow, Heat Transfer and Arc-Melt Interaction in Tungsten Inert Gas Welding

NASA Astrophysics Data System (ADS)

Li, Linmin; Li, Baokuan; Liu, Lichao; Motoyama, Yuichi

2017-04-01

The present work develops a multi-region dynamic coupling model for fluid flow, heat transfer and arc-melt interaction in tungsten inert gas (TIG) welding using the dynamic mesh technique. The arc-weld pool unified model is developed on basis of magnetohydrodynamic (MHD) equations and the interface is tracked using the dynamic mesh method. The numerical model for arc is firstly validated by comparing the calculated temperature profiles and essential results with the former experimental data. For weld pool convection solution, the drag, Marangoni, buoyancy and electromagnetic forces are separately validated, and then taken into account. Moreover, the model considering interface deformation is adopted in a stationary TIG welding process with SUS304 stainless steel and the effect of interface deformation is investigated. The depression of weld pool center and the lifting of pool periphery are both predicted. The results show that the weld pool shape calculated with considering the interface deformation is more accurate.

Advanced thermoplastic resins, phase 1

NASA Technical Reports Server (NTRS)

Hendricks, C. L.; Hill, S. G.; Falcone, A.; Gerken, N. T.

1991-01-01

Eight thermoplastic polyimide resin systems were evaluated as composite matrix materials. Two resins were selected for more extensive mechanical testing and both were versions of LaRC-TPI (Langley Research Center - Thermoplastic Polyimide). One resin was made with LaRC-TPI and contained 2 weight percent of a di(amic acid) dopant as a melt flow aid. The second system was a 1:1 slurry of semicrystalline LaRC-TPI powder in a polyimidesulfone resin diglyme solution. The LaRC-TPI powder melts during processing and increases the melt flow of the resin. Testing included dynamic mechanical analysis, tension and compression testing, and compression-after-impact testing. The test results demonstrated that the LaRC-TPI resins have very good properties compared to other thermoplastics, and that they are promising matrix materials for advanced composite structures.

Simulation of ring polymer melts with GPU acceleration

NASA Astrophysics Data System (ADS)

Schram, R. D.; Barkema, G. T.

2018-06-01

We implemented the elastic lattice polymer model on the GPU (Graphics Processing Unit), and show that the GPU is very efficient for polymer simulations of dense polymer melts. The implementation is able to perform up to 4.1 ṡ109 Monte Carlo moves per second. Compared to our standard CPU implementation, we find an effective speed-up of a factor 92. Using this GPU implementation we studied the equilibrium properties and the dynamics of non-concatenated ring polymers in a melt of such polymers, using Rouse modes. With increasing polymer length, we found a very slow transition to compactness with a growth exponent ν ≈ 1 / 3. Numerically we find that the longest internal time scale of the polymer scales as N3.1, with N the molecular weight of the ring polymer.

Evaporation-induced gas-phase flows at selective laser melting

NASA Astrophysics Data System (ADS)

Zhirnov, I.; Kotoban, D. V.; Gusarov, A. V.

2018-02-01

Selective laser melting is the method for 3D printing from metals. A solid part is built from powder layer-by-layer. A continuum-wave laser beam scans every powder layer to fuse powder. The process is studied with a high-speed CCD camera at the frame rate of 104 fps and the resolution up to 5 µm per pixel. Heat transfer and evaporation in the laser-interaction zone are numerically modeled. Droplets are ejected from the melt pool in the direction around the normal to the melt surface and the powder particles move in the horizontal plane toward the melt pool. A vapor jet is observed in the direction of the normal to the melt surface. The velocities of the droplets, the powder particles, and the jet flow and the mass loss due to evaporation are measured. The gas flow around the vapor jet is calculated by Landau's model of submerged jet. The measured velocities of vapor, droplets, and powder particles correlate with the calculated flow field. The obtained results show the importance of evaporation and the flow of the vapor and the ambient gas. These gas-dynamic phenomena can explain the formation of the denudated zones and the instability at high-energy input.

Kinetics of Melting and Dissolution in Lunar Materials

NASA Technical Reports Server (NTRS)

Hess, Paul C.

2002-01-01

An understanding of the petrogenesis of lunar magmas, particularly mare basalts and the parent magmas to the Mg-rich suite, remains an unfulfilled goal. The fact is not surprising given the complexity of the problem. On the Moon, the source region for lunar magmas is not primitive mantle but rather a series of cumulate rocks that vary widely in both minerology and major and minor element contents. The stratigraphy of the cumulate mantle is not likely to be very regular given that the culumate pile is formed initially in an unstable configuration and subsequent thermal and compositional heterogeneities on a number of length scales. These lithologic heterogeneities, the large range of pressures and temperatures over which melts are generated on the Moon, and the close juxtaposition of cumulate rock with widely varying solidii introduce significant complications to the nature of the melting relations that control melt generation. These factors, coupled with the likelihood that polybaric fractional melting of varying efficiencies ultimately control the composition of planetary progress, are ample reasons why the lunar magmas remain the enigma they are. To make progress, phase equilibria studies must be coupled with a detailed understanding of the time scales and the dynamics of crystal and melt reequilibration processes.

Outlet Glacier-Ice Shelf-Ocean Interactions: Is the Tail Wagging the Dog?

NASA Astrophysics Data System (ADS)

Parizek, B. R.; Walker, R. T.; Rinehart, S. K.

2009-12-01

While the massive interior regions of the Antarctic and Greenland Ice Sheets are presently ``resting quietly", the lower elevations of many outlet glaciers are experiencing dramatic adjustments due to changes in ice dynamics and/or surface mass balance. Oceanic and/or atmospheric forcing in these marginal regions often leads to mass deficits for entire outlet basins. Therefore, coupling the wagging tail of ice-ocean interactions with the vast ice-sheet reservoirs is imperative for accurate assessments of future sea-level rise. To study ice-ocean dynamic processes, we couple an ocean-plume model that simulates ice-shelf basal melting rates based on temperature and salinity profiles combined with plume dynamics associated with the geometry of the ice-shelf cavity (following Jenkins, 1991 and Holland and Jenkins, 1999) with a two-dimensional, isothermal model of outlet glacier-ice shelf flow (as used in Alley et al., 2007; Walker et al., 2008; Parizek et al., in review). Depending on the assigned temperature and salinity profiles, the ocean model can simulate both water-mass end-members: either cold High Salinity Shelf Water (HSSW) or relatively warm Circumpolar Deep Water (CDW), as well as between-member conditions. Notably, the coupled system exhibits sensitivity to the initial conditions. In particular, melting concentrated near the grounding line has the greatest effect in forcing grounding-line retreat. Retreat is further enhanced by a positive feedback between the ocean and ice, as the focused melt near the grounding line leads to an increase in the local slope of the basal ice, thereby enhancing buoyancy-driven plume flow and subsequent melt rates.

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.

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.

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.

The harzburgites-lherzolite cycle: depletion and refertilization processes

NASA Astrophysics Data System (ADS)

Dijkstra, A. H.

2011-12-01

Lherzolites or clinopyroxene-rich harzburgites sampled at the ocean floor are now generally interpreted as refractory harzburgites refertilized by melt-rock reaction or melt impregnation at the spreading center, rather than as relatively undepleted bulk upper mantle. The key evidence for a melt refertilization origin is often textural. Critically, the refertilization can mask the underlying very refractory character: oceanic peridotites prior to melt refertilization at the ridge are often too refractory to be simple mantle residues of bulk upper mantle that was melted at the ridge. This suggests that the upper mantle contains large domains that record prior melting histories. This is supported by ancient rhenium-depletion ages that are common in oceanic peridotites. In this presentation, I will discuss some key examples (e.g., Macquarie Island [1], Pindos, Totalp, Lanzarote) of refertilized oceanic peridotites, which all have recorded previous, ancient depletions. I will show the textural and geochemical evidence for melt refertilization. It has often been assumed that melt refertilization occurs by interaction with mantle melts. However, there is now evidence for melt refertilization through a reaction with eclogite-derived melts, probably at the base of the melting column underneath the ridge system. These eclogitic mantle heterogeneities themselves do not normally survive the melting underneath the spreading center, but their isotopic signature can be recognized in the reacted peridotites. In summary, we have moved away from the idea that oceanic mantle rocks are simple melting residues of homogeneous bulk upper mantle. The picture that emerges is a rich and complex one, suggesting that oceanic mantle rocks record dynamic histories of melting and refertilization. In particular, the melting event in refertilized peridotites can be much older than the age of the ridge system at which they are sampled. Many oceanic peridotites contain evidence for a Mesoproterozoic melting event of perhaps global significance. Regardless of the nature of these melting events, it is now clear that in their complex overprinting history, oceanic peridotites more and more resemble polygenetic metamorphic rocks.

Sensitivity experiments with a one-dimensional coupled plume - iceflow model

NASA Astrophysics Data System (ADS)

Beckmann, Johanna; Perette, Mahé; Alexander, David; Calov, Reinhard; Ganopolski, Andrey

2016-04-01

Over the last few decades Greenland Ice sheet mass balance has become increasingly negative, caused by enhanced surface melting and speedup of the marine-terminating outlet glaciers at the ice sheet margins. Glaciers speedup has been related, among other factors, to enhanced submarine melting, which in turn is caused by warming of the surrounding ocean and less obviously, by increased subglacial discharge. While ice-ocean processes potentially play an important role in recent and future mass balance changes of the Greenland Ice Sheet, their physical understanding remains poorly understood. In this work we performed numerical experiments with a one-dimensional plume model coupled to a one-dimensional iceflow model. First we investigated the sensitivity of submarine melt rate to changes in ocean properties (ocean temperature and salinity), to the amount of subglacial discharge and to the glacier's tongue geometry itself. A second set of experiments investigates the response of the coupled model, i.e. the dynamical response of the outlet glacier to altered submarine melt, which results in new glacier geometry and updated melt rates.

Petrologically-based Electrical Profiles vs. Geophysical Observations through the Upper Mantle (Invited)

NASA Astrophysics Data System (ADS)

Gaillard, F.; Massuyeau, M.; Sifre, D.; Tarits, P.

2013-12-01

Mineralogical transformations in the up-welling mantle play a critical role on the dynamics of mass and heat transfers at mid-ocean-ridgeS. The melting event producing ridge basalts occur at 60 km depth below the ridge axis, but because of small amounts of H2O and CO2 in the source region of MOR-basalts, incipient melting can initiate at much greater depth. Such incipient melts concentrate incompatible elements, and are particularly rich in volatile species. These juices evolve from carbonatites, carbonated basalts, to CO2-H2O-rich basalts as recently exposed by petrological surveys; the passage from carbonate to silicate melts is a complex pathway that is strongly non-linear. This picture has recently been complicated further by studies showing that oxygen increasingly partitions into garnet as pressure increases; this implies that incipient melting may be prevented at depth exceeding 200 km because not enough oxygen is available in the system to stabilize carbonate melts. The aim of this work is twofold: - We modelled the complex pathway of mantle melting in presence of C-O-H volatiles by adjusting the thermodynamic properties of mixing in the multi-component C-O-H-melt system. This allows us to calculate the change in melt composition vs. depth following any sortS of adiabat. - We modelled the continuous change in electrical properties from carbonatites, carbonated basalts, to CO2-H2O-rich basalts. We then successfully converted this petrological evolution along a ridge adiabat into electrical conductivity vs. depth signal. The discussion that follows is about comparison of this petrologically-based conductivity profile with the recent profiles obtained by inversion of the long-period electromagnetic signals from the East-Pacific-Rise. These geophysically-based profiles reveal the electrical conductivity structure down to 400 km depth and they show some intriguing highly conductive sections. We will discuss heterogeneity in electrical conductivity of the upper mantle underneath the ridge in terms of melting processes. Our prime conclusion is that the redox melting process, universally predicted by petrological models, might not be universal and that incipient melting can extend down to the transition zone.

Processing thermally labile drugs by hot-melt extrusion: The lesson with gliclazide.

PubMed

Huang, Siyuan; O'Donnell, Kevin P; Delpon de Vaux, Sophie M; O'Brien, John; Stutzman, John; Williams, Robert O

2017-10-01

The formation of molecularly dispersed amorphous solid dispersions by the hot-melt extrusion technique relies on the thermal and mechanical energy inputs, which can cause chemical degradation of drugs and polymeric carriers. Additionally, drug degradation may be exacerbated as drugs convert from a more stable crystalline form to a higher energy amorphous form. Therefore, it is imperative to study how drug degrades and evaluate methods to minimize drug degradation during the extrusion process. In this work, gliclazide was used as a model thermally labile drug for the degradation kinetics and process optimization studies. Preformulation studies were conducted using thermal analyses, and liquid chromatography-mass spectroscopy to identify drug degradation pathways and to determine initial extrusion conditions. Formulations containing 10% drug and 90% AFFINISOL™ HPMC HME 100LV were then extruded using a twin screw extruder, and the extrudates were characterized using X-ray powder diffraction, modulated dynamic scanning calorimetry, and potency testing to evaluate physicochemical properties. The energies of activation for both amorphous gliclazide, crystalline gliclazide, and gliclazide solution were calculated using the Arrhenius equation to further guide the extrusion optimization process. Preformulation studies identify two hydrolysis degradation pathways of gliclazide at elevated temperatures. The activation energy study indicates a significantly higher degradation rate for the amorphous gliclazide compared to the crystalline form. After optimization of the hot-melt extrusion process, including improved screw designs, machine setup, and processing conditions, gliclazide amorphous solid dispersion with ∼95% drug recovery was achieved. The ability to process thermally labile drugs and polymers using hot-melt extrusion will significantly expand the possible applications of this manufacturing process. Copyright © 2017 Elsevier B.V. All rights reserved.

Subduction and melting processes inferred from U-Series, Sr Nd Pb isotope, and trace element data, Bicol and Bataan arcs, Philippines

NASA Astrophysics Data System (ADS)

DuFrane, S. Andrew; Asmerom, Yemane; Mukasa, Samuel B.; Morris, Julie D.; Dreyer, Brian M.

2006-07-01

We present U-series, Sr-Nd-Pb isotope, and trace element data from the two principal volcanic chains on Luzon Island, developed over oppositely dipping subduction zones, to explore melting and mass transfer processes beneath arcs. The Bataan (western) and Bicol (eastern) arcs are currently subducting terrigenous and pelagic sediments, respectively, which have different trace element and isotopic compositions. The range of ( 230Th/ 238U) disequilibria for both arcs is 0.85-1.15; only lavas from Mt. Mayon (Bicol arc) have 230Th activity excesses. Bataan lavas have higher 87Sr/ 86Sr and lower 143Nd/ 144Nd than Bicol lavas ( 87Sr/ 86Sr = 0.7042-0.7046, 143Nd/ 144Nd = 0.51281-0.51290 vs. 87Sr/ 86Sr = 0.70371-0.70391, 143Nd/ 144Nd = 0.51295-0.51301) and both arcs show steep linear arrays towards sediment values on 207Pb/ 204Pb vs. 206Pb/ 204Pb diagrams. Analysis of incompatible element and isotopic data allows identification of a sediment component that, at least in part, was transferred as a partial melt to the mantle wedge peridotite. Between 1% and 5% sediment melt addition can explain the isotopic and trace element variability in the rocks from both arcs despite the differences in sediment supply. We therefore propose that sediment transfer to the mantle wedge is likely mechanically or thermally limited. It follows that most sediments are either accreted, reside in the sub-arc lithosphere, or are recycled into the convecting mantle. However, whole-sale sediment recycling into the upper mantle is unlikely in light of the global mid-ocean ridge basalt data. Fluid involvement is more difficult to characterize, but overall the Bicol arc appears to have more fluid influence than the Bataan arc. Rock suites from each arc can be related by a dynamic melting process that allows for 230Th ingrowth, either by dynamic or continuous flux melting, provided the initial ( 230Th/ 232Th) of the source is ˜0.6-0.7. The implication of either model is that inclined arrays on the U-Th equiline diagram may not have chronologic significance. Modeling also suggests that U-series disequilibria are influenced by the tectonic convergence rate, which dictates mantle matrix flow. Thus with slower matrix flow there is a greater degree of 230Th ingrowth. While other factors such as prior mantle depletion and addition of a subducted component may explain some aspects of U-series data, an overall global correlation between tectonic convergence rate and the extent of U-Th disequilibria may originate from melting processes.

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

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.

Molecular dynamics simulations of damage production by thermal spikes in Ge

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

Lopez, Pedro; Pelaz, Lourdes; Santos, Ivan

2012-02-01

Molecular dynamics simulation techniques are used to analyze damage production in Ge by the thermal spike process and to compare the results to those obtained for Si. As simulation results are sensitive to the choice of the inter-atomic potential, several potentials are compared in terms of material properties relevant for damage generation, and the most suitable potentials for this kind of analysis are identified. A simplified simulation scheme is used to characterize, in a controlled way, the damage generation through the local melting of regions in which energy is deposited. Our results show the outstanding role of thermal spikes inmore » Ge, since the lower melting temperature and thermal conductivity of Ge make this process much more efficient in terms of damage generation than in Si. The study is extended to the modeling of full implant cascades, in which both collision events and thermal spikes coexist. Our simulations reveal the existence of bigger damaged or amorphous regions in Ge than in Si, which may be formed by the melting and successive quenching induced by thermal spikes. In the particular case of heavy ion implantation, defect structures in Ge are not only bigger, but they also present a larger net content in vacancies than in Si, which may act as precursors for the growth of voids and the subsequent formation of honeycomb-like structures.« less

Melt segregation during Poiseuille flow of partially molten rocks

NASA Astrophysics Data System (ADS)

Quintanilla-Terminel, A.; Dillman, A. M.; Kohlstedt, D. L.

2015-12-01

Studies of the dynamics of partially molten regions of the Earth's mantle provide the basis necessary for understanding the chemical and physical evolution of our planet. Since we cannot directly observe processes occurring at depth, we rely on models and experiments to constrain the rheological behavior of partially molten rocks. Here, we present the results of an experimental investigation of the role of viscous anisotropy on melt segregation in partially molten rocks through Poiseuille flow experiments. Partially molten rock samples with a composition of either forsterite or anorthite plus a few percent melt were prepared from vacuum sintered powders and taken to 1200ºC at 0.1 MPa. The partially molten samples were then extruded through a channel of circular cross section under a fixed pressure gradient at 1200o to 1500oC. The melt distribution in the channel was subsequently mapped through image analyses of optical and backscattered electron microscopy images. In these experiments, melt segregates from the center toward the outer radius of the channel with the melt fraction at the outer radius increasing to twice that at the center. These results are consistent with base-state melt segregation as predicted by Takei and Holtzman (JGR, 2009), Takei and Katz (JFM, 2013) and Allwright and Katz (GJI, 2014) for sheared partially molten rocks for which viscosity is anisotropic due to the stress-induced, grain-scale alignment of melt.

Crystal Growth by Physical Vapor Transport: Experiments and Simulation Dynamics

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Worlikar, A.; Su, Ching-Hua; Rose, M. Franklin (Technical Monitor)

2001-01-01

Crystal growth from the vapor phase has various advantages over melt growth. The main advantage is from a lower processing temperature, which makes the process more amenable in instances where the melting temperature of the crystal is high. Other benefits stem from the inherent purification mechanism in the process due to differences in the vapor pressures of the native elements and impurities, and the enhanced interfacial morphological stability during the growth process. Further, the implementation of PVT growth in closed ampoules affords experimental simplicity with minimal needs for complex process control, which makes it an ideal candidate for space investigations in systems where gravity tends to have undesirable effects on the growth process. Bulk growth of wide band gap II-VI semiconductors by PVT has been developed and refined over the past several years at NASA MSFC. A new modeling approach for PVT has also been recently formulated and its validation and testing is the main objective of this work.

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.

Enhanced and asymmetric melting beneath the southern Mariana back-arc spreading ridge under the influence of the Pacific plate subduction

NASA Astrophysics Data System (ADS)

Matsuno, T.; Seama, N.; Shindo, H.; Nogi, Y.; Okino, K.

2017-12-01

Back-arc spreading ridges in the southern Mariana Trough are slow-spreading ridges but have features suggesting enhanced melting beneath the ridges and influences on seafloor spreading processes by fluid derived from the subducted Pacific slab underlying the ridges. To reveal melting and dehydration processes and dynamics in the upper mantle in the southern Mariana Trough, we conducted a marine magnetotelluric (MT) experiment along a 120 km-length transect across a ridge segment at 13°N. We obtained electromagnetic field data at 9 stations along the transect, and analyzed them for estimating MT responses, striping seafloor topographic distortion from the responses, and imaging a 2-D electrical resistivity structure by 2-D inversion of TM-mode responses. A resultant 2-D inversion model showed 1) a conductive area at 10-20 km depth beneath the ridge center, the center of which slightly offsets to the trench side, 2) a moderately conductive area expanding asymmetrically around and under the conductor of 1), 3) a resistive area thickening from the ridge center up to about 40 km on the remnant arc side, and 4) a resistive area with a constant thickness of about 150 km on the trench side. These model features suggest 1) a melt body beneath the ridge center, possibly containing slab-derived water 2) water- and melt-retained mantle area produced by hydration of the back-arc mantle wedge and asymmetric passive decompression melting in the hydrous mantle wedge, 3) cooled and residual lithospheric mantle off the ridge center, and 4) mantle wedge and subducted Pacific lithospheric mantle that are both cold and depleted. The electrical resistivity structure obtained in the southern Mariana Trough, which clearly contrasts with the structure of the central Mariana Trough at 18°N in that this lacks a conductor beneath the ridge center, provides insights on the mantle dynamics and its relation to the characteristic tectonics and many kinds of observational results in the southern Mariana Trough.

connecting the dots between Greenland ice sheet surface melting and ice flow dynamics (Invited)

NASA Astrophysics Data System (ADS)

Box, J. E.; Colgan, W. T.; Fettweis, X.; Phillips, T. P.; Stober, M.

2013-12-01

This presentation is of a 'unified theory' in glaciology that first identifies surface albedo as a key factor explaining total ice sheet mass balance and then surveys a mechanistic self-reinforcing interaction between melt water and ice flow dynamics. The theory is applied in a near-real time total Greenland mass balance retrieval based on surface albedo, a powerful integrator of the competing effects of accumulation and ablation. New snowfall reduces sunlight absorption and increases meltwater retention. Melting amplifies absorbed sunlight through thermal metamorphism and bare ice expansion in space and time. By ';following the melt'; we reveal mechanisms linking existing science into a unified theory. Increasing meltwater softens the ice sheet in three ways: 1.) sensible heating given the water temperature exceeds that of the ice sheet interior; 2.) Some infiltrating water refreezes, transferring latent heat to the ice; 3.) Friction from water turbulence heats the ice. It has been shown that for a point on the ice sheet, basal lubrication increases ice flow speed to a time when an efficient sub-glacial drainage network develops that reduces this effect. Yet, with an increasing melt duration the point where the ice sheet glides on a wet bed increases inland to a larger area. This effect draws down the ice surface elevation, contributing to the ';elevation feedback'. In a perpetual warming scenario, the elevation feedback ultimately leads to ice sheet loss reversible only through much slower ice sheet growth in an ice age environment. As the inland ice sheet accelerates, the horizontal extension pulls cracks and crevasses open, trapping more sunlight, amplifying the effect of melt accelerated ice. As the bare ice area increases, the direct sun-exposed crevassed and infiltration area increases further allowing the ice warming process to occur more broadly. Considering hydrofracture [a.k.a. hydrofracking]; surface meltwater fills cracks, attacking the ice integrity. Because water is 'heavier' than ice, water-filled cracks have unlimited capacity to hydraulically ';jack' open fractures, penetrating, fracturing and disaggregating a solid ice body. This process promotes iceberg calving at more than 150, 1km wide marine terminating Greenland glacier fronts. Resulting from a rising trend of surface melting and sea water temperature, meltwater ejection at the underwater front of marine glaciers drives a an increasing turbulent heat exchange between the glacier front and relatively warm sea water melting it faster. Underwater melting promotes an undercutting of the glacier front leading to ice berg calving. Calving through hydrofracture or marine undercutting provide a direct and immediate ice flow speed response mechanism for surface meltwater production. Ice flow speed reacts because calving reduces flow resistance. The above physical processes interact. Cooling shuts these processes down. Negative feedbacks dampen the warming impulse. Live 21 June, 2013 is a new Danish Web site1 that exploits total mass balance rate of decline as a function of albedo to predict GRACE mass rate of change with 80% explained variance. While surface mass balance explains the mass rate of change slightly higher, surface albedo is an observable quantity as is gravity change.

U-TH-PA-RA study of the Kamchatka arc: new constraints on the genesis of arc lavas

NASA Astrophysics Data System (ADS)

Dosseto, Anthony; Bourdon, Bernard; Joron, Jean-Louis; Dupré, Bernard

2003-08-01

The 238U- 230Th- 226Ra and 235U- 231Pa disequilibria have been measured by mass spectrometry in historic lavas from the Kamchatka arc. The samples come from three closely located volcanoes in the Central Kamchatka Depression (CKD), the most active region of subducted-related volcanism in the world. The large excesses of 226Ra over 230Th found in the CKD lavas are believed to be linked to slab dehydration. Moreover, the samples show the uncommon feature of ( 230Th/ 238U) activity ratios both lower and higher than 1. The U-series disequilibria are characterized by binary trends between activity ratios, with ( 231Pa/ 235U) ratios all >1. It is shown that these correlations cannot be explained by a simple process involving a combination of slab dehydration and melting. We suggest that they are more likely to reflect mixing between two end-members: a high-magnesia basalt (HMB) end-member with a clear slab fluid signature and a high-alumina andesite (HAA) end-member reflecting the contribution of a slab-derived melt. The U-Th-Ra characteristics of the HMB end-member can be explained either by a two-step fluid addition with a time lag of 150 ka between each event or by continuous dehydration. The inferred composition for the dehydrating slab is a phengite-bearing eclogite. Equilibrium transport or dynamic melting can both account for 231Pa excess over 235U in HMB end-member. Nevertheless, dynamic melting is preferred as equilibrium transport melting requires unrealistically high upwelling velocities to preserve fluid-derived 226Ra/ 230Th. A continuous flux melting model is also tested. In this model, 231Pa- 235U is quickly dominated by fluid addition and, for realistic extents of melting, this process cannot account for ( 231Pa/ 235U) ratios as high as 1.6, as observed in the HMB end-member. The involvement of a melt derived from the subducted oceanic crust is more likely for explaining the HAA end-member compositions than crustal assimilation. Melting of the oceanic crust is believed to occur in presence of residual phengite and rutile, resulting in no 226Ra- 230Th disequilibrium and low 231Pa excess over 235U in the high-alumina andesites. Consequently, it appears that high-alumina andesites and high-magnesia basalts have distinct origins: the former being derived from melting of the subducted oceanic crust and the latter from hydrated mantle. It seems that there is no genetic link between these two magma types, in contrast with what was previously believed.

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.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Supercoil Formation During DNA Melting

NASA Astrophysics Data System (ADS)

Sayar, Mehmet; Avsaroglu, Baris; Kabakcioglu, Alkan

2009-03-01

Supercoil formation plays a key role in determining the structure-function relationship in DNA. Biological and technological processes, such as protein synthesis, polymerase chain reaction, and microarrays relys on separation of the two strands in DNA, which is coupled to the unwinding of the supercoiled structure. This problem has been studied theoretically via Peyrard-Bishop and Poland-Scheraga type models, which include a simple representation of the DNA structural properties. In recent years, computational models, which provide a more realtistic representaion of DNA molecule, have been used to study the melting behavior of short DNA chains. Here, we will present a new coarse-grained model of DNA which is capable of simulating sufficiently long DNA chains for studying the supercoil formation during melting, without sacrificing the local structural properties. Our coarse-grained model successfully reproduces the local geometry of the DNA molecule, such as the 3'-5' directionality, major-minor groove structure, and the helical pitch. We will present our initial results on the dynamics of supercoiling during DNA melting.

Poly(vinyl methyl ether) hydrogels at temperatures below the freezing point of water-molecular interactions and states of water.

PubMed

Pastorczak, Marcin; Dominguez-Espinosa, Gustavo; Okrasa, Lidia; Pyda, Marek; Kozanecki, Marcin; Kadlubowski, Slawomir; Rosiak, Janusz M; Ulanski, Jacek

2014-01-01

Water interacting with a polymer reveals a number of properties very different to bulk water. These interactions lead to the redistribution of hydrogen bonds in water. It results in modification of thermodynamic properties of water and the molecular dynamics of water. That kind of water is particularly well observable at temperatures below the freezing point of water, when the bulk water crystallizes. In this work, we determine the amount of water bound to the polymer and of the so-called pre-melting water in poly(vinyl methyl ether) hydrogels with the use of Raman spectroscopy, dielectric spectroscopy, and calorimetry. This analysis allows us to compare various physical properties of the bulk and the pre-melting water. We also postulate the molecular mechanism responsible for the pre-melting of part of water in poly(vinyl methyl ether) hydrogels. We suggest that above -60 °C, the first segmental motions of the polymer chain are activated, which trigger the process of the pre-melting.

Alteration of glacigenic landforms by gravitational mass movements, Ragnarbreen and Ebbabreen, Svalbard

NASA Astrophysics Data System (ADS)

Ewertowski, Marek; Pleskot, Krzysztof; Tomczyk, Aleksandra

2015-04-01

The extensive recession of Svalbard's glaciers exposed areas containing large amount of dead-ice covered by relatively thin - usually less than a couple of meters - veneer of debris. This landscape can be very dynamic, mainly due to the mass movement processes and dead-ice melting. Continuous redistribution of sediments causes several phases of debris transfer and relief inversion. Hence, the primary glacial deposits released from ice are subsequently transferred by mass movement processes, until they finally reach more stable position. Investigations of dynamics of the mass movement and the way in which they alter the property of glacigenic sediments are therefore cruicial for proper understanding of sedimentary records of previous glaciations. The main objectives of this study were to: (1) quantify short-term dynamic of mass wasting processes; (2) investigate the transformation of the sediment's characteristic by mass wasting processes; (3) asses the contribution of different process to the overall dynamic of proglacial landscape. We focused on the mass-wasting processes in the forelands of two glaciers, Ebbabreen and Ragnarbreen, located near the Petuniabukta at the northern end of the Billefjorden, Spitsbergen. Repetitive topographic scanning was combined with sedimentological analysis of: grain size, clast shape in macro and micro scale and thin sections. Debris falls, slides, rolls and flows were the most important processes leading to reworking of glacigenic sediments and altering their properties. Contribution of different processes to the overall dynamic of the landforms was related mainly to the local conditions. Four different morphological types of sites were identified: (1) near vertical ice-cliffs covered with debris, transformed mainly due to dead-ice backwasting and debris falls and slides, (2) steep debris slopes with exposed ice-cores dominated by debris slides, (3) gentle sediment-mantled slopes transformed due to debris flows, and (4) non-active debris-mantled areas transformed only by dead-ice downwasting. The amount of volume loss due to the active mass movement processes and dead-ice melting (including both backwasting and downwasting) was up to more than 1.8 m a-1. In comparison, the amount of volume loss due to the dead-ice downwasting only was significantly lower at a maximum of 0.3 m a-1. The spatial and temporal distribution of volume changes, however, was quite diverse and for the most part related to local geomorphic conditions (e.g. slope gradient, occurrence of streams, and meltwater channels). We proposed a simplified model of spatio-temporal switching between stable and active conditions within the forelands of the studied glaciers. Transformations of landforms were attributed to the period of deglaciation and debris cover development. Stage 1 - shortly after deglaciation when the debris cover is thin (thinner than the permafrost active layer's thickness) mass movement processes become fairly common. They are facilitated by the dead-ice melting and steepness of the slopes. This stage can be observed in many lateral moraines, which are characterised by steep slopes, abundance of active mass movement processes, and by consequence a high degree of transformation. Stage 2 - ongoing mass-wasting processes lead to the transfer of sediments from steep slopes to more stable positions. As the thickness of the sediments increases, the debris cover starts to protect the dead-ice from melting and also contribute to the decrease in slope gradient. Thus, the resulting landscape is relatively stable and in equilibrium with current climatic and topographic conditions. This stage characterises most parts of the frontal (end) moraine complex of the studied glaciers; thus, their transformation rates are either very low or close to zero. Stage 3 - some parts of this stable landscape can be subsequently transformed again into an unstable state, mainly due to the effect of external factors such as streams or meltwater channels. This can lead to the development of mass movement processes and further slope instability, which could facilitate subsequent generation of debris flows. Stages described above can occur in a sort of spatio-temporal cycle, and, depending on local and external factors, the changes between stabilization of landforms and activation of mass flows can be repeated several times for any given area until the dead-ice is completely melted.

Latent cooling and microphysics effects in deep convection

NASA Astrophysics Data System (ADS)

Fernández-González, S.; Wang, P. K.; Gascón, E.; Valero, F.; Sánchez, J. L.

2016-11-01

Water phase changes within a storm are responsible for the enhancement of convection and therefore the elongation of its lifespan. Specifically, latent cooling absorbed during evaporation, melting and sublimation is considered the main cause of the intensification of downdrafts. In order to know more accurately the consequences of latent cooling caused by each of these processes (together with microphysical effects that they induce), four simulations were developed with the Wisconsin Dynamical and Microphysical Model (WISCDYMM): one with all the microphysical processes; other without sublimation; melting was suppressed in the third simulation; and evaporation was disabled in the fourth. The results show that sublimation cooling is not essential to maintain the vertical currents of the storm. This is demonstrated by the fact that in the simulation without sublimation, maximum updrafts are in the same range as in the control simulation, and the storm lifespan is similar or even longer. However, melting was of vital importance. The storm in the simulation without melting dissipated prematurely, demonstrating that melting is indispensable to the enhancement of downdrafts below the freezing level and for avoiding the collapse of low level updrafts. Perhaps the most important finding is the crucial influence of evaporative cooling above the freezing level that maintains and enhances mid-level downdrafts in the storm. It is believed that this latent cooling comes from the evaporation of supercooled liquid water connected with the Bergeron-Findeisen process. Therefore, besides its influence at low levels (which was already well known), this evaporative cooling is essential to strengthen mid-level downdrafts and ultimately achieve a quasi-steady state.

Detecting frontal ablation processes from direct observations of submarine terminus morphology

NASA Astrophysics Data System (ADS)

Fried, M.; Carroll, D.; Catania, G. A.; Sutherland, D. A.; Stearns, L. A.; Bartholomaus, T. C.; Shroyer, E.; Nash, J. D.

2017-12-01

Tidewater glacier termini couple glacier and ocean systems. Subglacial discharge emerging from the terminus produces buoyant plumes that modulate submarine melting, calving, fjord circulation and, in turn, changes in ice dynamics from back-stress perturbations. However, the absence of critical observational data at the ice-ocean interface limits plume and, by extension, melt models from incorporating realistic submarine terminus face morphologies and assessing their impact on terminus behavior at tidewater glaciers. Here we present a comprehensive inventory and characterization of submarine terminus face shapes from a side-looking, multibeam echo sounding campaign across Kangerdlugssuaq Sermerssua glacier, central-west Greenland. We combine these observations with in-situ measurements of ocean stratification and remotely sensed subglacial discharge, terminus positions, ice velocity, and ice surface datasets to infer the spectrum of processes sculpting the submarine terminus face. Subglacial discharge outlet locations are confirmed through observations of sediment plumes, localized melt-driven undercutting of the terminus face, and bathymetry of the adjacent seafloor. From our analysis, we differentiate terminus morphologies resulting from submarine melt and calving and assess the contribution of each process to the net frontal ablation budget. Finally, we constrain a plume model using direct observations of the submarine terminus face and conduit geometry. Plume model simulations demonstrate that the majority of discharge outlets are fed by small discharge fluxes, suggestive of a distributed subglacial hydrologic system. Outlets with the largest, concentrated discharge fluxes are morphologically unique and strongly control seasonal terminus position. At these locations, we show that the spatiotemporal pattern of terminus retreat is well correlated with time periods when local melt rate exceeds ice velocity.

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

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

Dynamic-Type Ice Thermal Storage Systems

NASA Astrophysics Data System (ADS)

Ohira, Akiyoshi

This paper deals with reviews for research and development of a dynamic-type ice thermal storage system. This system has three main features. First, the ice thermal storage tank and the ice generator are separate. Second, ice is transported to the tank from the ice generator by water or air. Third, the ice making and melting processes are operated at the same time. Outlet water temperature from the dynamic-type ice thermal storage tank remains low for a longer time. In this paper, dynamic-Type ice thermal storage systems are divided into three parts: the ice making part, the ice transport part, and the cold energy release part. Each part is reviewed separately.

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.

3D Printing Optical Engine for Controlling Material Microstructure

NASA Astrophysics Data System (ADS)

Huang, Wei-Chin; Chang, Kuang-Po; Wu, Ping-Han; Wu, Chih-Hsien; Lin, Ching-Chih; Chuang, Chuan-Sheng; Lin, De-Yau; Liu, Sung-Ho; Horng, Ji-Bin; Tsau, Fang-Hei

Controlling the cooling rate of alloy during melting and resolidification is the most commonly used method for varying the material microstructure and consequently the resuling property. However, the cooling rate of a selective laser melting (SLM) production is restricted by a preset optimal parameter of a good dense product. The head room for locally manipulating material property in a process is marginal. In this study, we invent an Optical Engine for locally controlling material microstructure in a SLM process. It develops an invovative method to control and adjust thermal history of the solidification process to gain desired material microstucture and consequently drastically improving the quality. Process parameters selected locally for specific materials requirement according to designed characteristics by using thermal dynamic principles of solidification process. It utilize a technique of complex laser beam shape of adaptive irradiation profile to permit local control of material characteristics as desired. This technology could be useful for industrial application of medical implant, aerospace and automobile industries.

In situ Pressure Fluctuations of Polymer Melt Flow Instabilities: Experimental Evidence about their Origin and Dynamics.

PubMed

Palza, Humberto; Naue, Ingo F C; Wilhelm, Manfred

2009-11-02

Despite the practical importance of polymer melt instabilities, there is still a lack of experiments able to characterize in situ the origin and behavior of these phenomena. In this context, a new set-up consisting of high sensitive pressure transducers located inside a slit-die and an advanced mathematical framework to process in situ measurements of polymer melt instabilities, are developed and applied. Our results show for the first time that pressure oscillations can actually be detected inside the die under sharkskin conditions. This originates from a factor of 10(3) and 10(2) improvement in terms of time and pressure resolution. Furthermore, new evidence towards the propagation of the slip phenomena along the die in spurt instabilities are found. Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular dynamics simulations of aggregation of copper nanoparticles with different heating rates

NASA Astrophysics Data System (ADS)

Li, Qibin; Wang, Meng; Liang, Yunpei; Lin, Liyang; Fu, Tao; Wei, Peitang; Peng, Tiefeng

2017-06-01

Molecular dynamics simulations were employed to investigate the heating rates' effect on aggregation of two copper nanoparticles. The aggregation can be distinguished into three distinct regimes by the contacting and melting of nanoparticles. The nanoparticles contacting at a lower temperature during the sintering with lower heating rate, meanwhile, some temporary stacking fault exists at the contacting neck. The aggregation properties of the system, i.e. neck diameter, shrinkage ratio, potential energy, mean square displacement (MSD) and relative gyration radius, experience drastic changes due to the free surface annihilation. After the nanoparticles coalesced for a stable period, the shrinkage ratio, MSD, relative gyration radius and neck diameter of the system are dramatically changed during the melting process. It is shown that the shrinkage ratio and MSD have relative larger increasing ratio for a lower heating rate. While the evolution of the relative gyration radius and neck diameter is only sensitive to the temperature.

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.

High-temperature apparatus for chaotic mixing of natural silicate melts.

PubMed

Morgavi, D; Petrelli, M; Vetere, F P; González-García, D; Perugini, D

2015-10-01

A unique high-temperature apparatus was developed to trigger chaotic mixing at high-temperature (up to 1800 °C). This new apparatus, which we term Chaotic Magma Mixing Apparatus (COMMA), is designed to carry out experiments with high-temperature and high-viscosity (up to 10(6) Pa s) natural silicate melts. This instrument allows us to follow in time and space the evolution of the mixing process and the associated modulation of chemical composition. This is essential to understand the dynamics of magma mixing and related chemical exchanges. The COMMA device is tested by mixing natural melts from Aeolian Islands (Italy). The experiment was performed at 1180 °C using shoshonite and rhyolite melts, resulting in a viscosity ratio of more than three orders of magnitude. This viscosity ratio is close to the maximum possible ratio of viscosity between high-temperature natural silicate melts. Results indicate that the generated mixing structures are topologically identical to those observed in natural volcanic rocks highlighting the enormous potential of the COMMA to replicate, as a first approximation, the same mixing patterns observed in the natural environment. COMMA can be used to investigate in detail the space and time development of magma mixing providing information about this fundamental petrological and volcanological process that would be impossible to investigate by direct observations. Among the potentials of this new experimental device is the construction of empirical relationships relating the mixing time, obtained through experimental time series, and chemical exchanges between the melts to constrain the mixing-to-eruption time of volcanic systems, a fundamental topic in volcanic hazard assessment.

On the factors affecting porosity dissolution in selective laser sintering process

NASA Astrophysics Data System (ADS)

Ly, H.-B.; Monteiro, E.; Dal, M.; Regnier, G.

2018-05-01

Selective Laser Sintering process is one of the additive manufacturing techniques in which parts are manufactured layer by layer. During such process, gas bubbles are formed in the melted polymer due to faster polymer grains coalescence at surface than deeper in the powder bed. Although gas diffusion is possible through the polymer melt, it's usual that some porosities remain in the final part if their initial sizes are too big and solidification time too short. In this contribution, a bubble dissolution model involving fluid dynamics and mass transport has been developed to study factors affecting porosity resorption kinetic. In this model, gas diffusion follows Fick's laws and the melted polymer is supposed Newtonian. At the polymer/gas interface, surface tension is considered and Henry's law is used to relate the partial pressure of gas with its concentration in the fluid. This problem is solved numerically by means of the finite element method in 1D. After validation of the numerical tool, the influence on dissolution time of several parameters (e.g. the initial size and form of gas porosities, the viscosity, the diffusion coefficient, the surface tension constant or the ambient pressure) has been examined.

Processing and Characterization of Cellulose Nanocrystals/Polylactic Acid Nanocomposite Films

PubMed Central

Sullivan, Erin M.; Moon, Robert J.; Kalaitzidou, Kyriaki

2015-01-01

The focus of this study is to examine the effect of cellulose nanocrystals (CNC) on the properties of polylactic acid (PLA) films. The films are fabricated via melt compounding and melt fiber spinning followed by compression molding. Film fracture morphology, thermal properties, crystallization behavior, thermo-mechanical behavior, and mechanical behavior were determined as a function of CNC content using scanning electron microscopy, differential scanning calorimetry, X-ray diffraction, dynamic mechanical analysis, and tensile testing. Film crystallinity increases with increasing CNC content indicating CNC act as nucleating agents, promoting crystallization. Furthermore, the addition of CNC increased the film storage modulus and slightly broadened the glass transition region. PMID:28793701

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

Dark ice dynamics of the south-west Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Tedstone, Andrew J.; Bamber, Jonathan L.; Cook, Joseph M.; Williamson, Christopher J.; Fettweis, Xavier; Hodson, Andrew J.; Tranter, Martyn

2017-11-01

Runoff from the Greenland Ice Sheet (GrIS) has increased in recent years due largely to changes in atmospheric circulation and atmospheric warming. Albedo reductions resulting from these changes have amplified surface melting. Some of the largest declines in GrIS albedo have occurred in the ablation zone of the south-west sector and are associated with the development of dark ice surfaces. Field observations at local scales reveal that a variety of light-absorbing impurities (LAIs) can be present on the surface, ranging from inorganic particulates to cryoconite materials and ice algae. Meanwhile, satellite observations show that the areal extent of dark ice has varied significantly between recent successive melt seasons. However, the processes that drive such large interannual variability in dark ice extent remain essentially unconstrained. At present we are therefore unable to project how the albedo of bare ice sectors of the GrIS will evolve in the future, causing uncertainty in the projected sea level contribution from the GrIS over the coming decades. Here we use MODIS satellite imagery to examine dark ice dynamics on the south-west GrIS each year from 2000 to 2016. We quantify dark ice in terms of its annual extent, duration, intensity and timing of first appearance. Not only does dark ice extent vary significantly between years but so too does its duration (from 0 to > 80 % of June-July-August, JJA), intensity and the timing of its first appearance. Comparison of dark ice dynamics with potential meteorological drivers from the regional climate model MAR reveals that the JJA sensible heat flux, the number of positive minimum-air-temperature days and the timing of bare ice appearance are significant interannual synoptic controls. We use these findings to identify the surface processes which are most likely to explain recent dark ice dynamics. We suggest that whilst the spatial distribution of dark ice is best explained by outcropping of particulates from ablating ice, these particulates alone do not drive dark ice dynamics. Instead, they may enable the growth of pigmented ice algal assemblages which cause visible surface darkening, but only when the climatological prerequisites of liquid meltwater presence and sufficient photosynthetically active radiation fluxes are met. Further field studies are required to fully constrain the processes by which ice algae growth proceeds and the apparent dependency of algae growth on melt-out particulates.

Resonant absorption induced fast melting studied with mid-IR QCLs.

PubMed

Lu, Jie; Lv, Yankun; Ji, Youxin; Tang, Xiaoliang; Qi, Zeming; Li, Liangbin

2017-02-01

We demonstrate the use of a pump-probe setup based on two mid-infrared quantum cascade lasers (QCLs) to investigate the melting and crystallization of materials through resonant absorption. A combination of pump and probe beams fulfills the two-color synchronous detection. Furthermore, narrow linewidth advances the accuracy of measurements and the character of broad tuning range of QCLs enables wide applications in various sample and multiple structures. 1-Eicosene was selected as a simple model system to verify the feasibility of this method. A pulsed QCL was tuned to the absorption peak of CH 2 bending vibration at 1467 cm -1 to resonantly heat the sample. The other QCL in continuous mode was tuned to 1643 cm -1 corresponding the C=C stretching vibration to follow the fast melting dynamics. By monitoring the transmission intensity variation of pump and probe beams during pump-probe experiments, the resonant absorption induced fast melting and re-crystallization of 1-Eicosene can be studied. Results show that the thermal effect and melting behaviors strongly depend on the pump wavelength (resonant or non-resonant) and energy, as well as the pump time. The realization and detection of melting and recrystallization can be performed in tens of milliseconds, which improves the time resolution of melting process study based on general mid-infrared spectrum by orders of magnitude. The availability of resonant heating and detections based on mid-infrared QCLs is expected to enable new applications in melting study.

In-situ GPS records of surface mass balance, firn compaction rates, and ice-shelf basal melt rates for Pine Island Glacier, Antarctica

NASA Astrophysics Data System (ADS)

Shean, D. E.; Christianson, K.; Larson, K. M.; Ligtenberg, S.; Joughin, I. R.; Smith, B.; Stevens, C.

2016-12-01

In recent decades, Pine Island Glacier (PIG) has experienced marked retreat, speedup and thinning due to ice-shelf basal melt, internal ice-stream instability and feedbacks between these processes. In an effort to constrain recent ice-stream dynamics and evaluate potential causes of retreat, we analyzed 2008-2010 and 2012-2014 GPS records for PIG. We computed time series of horizontal velocity, strain rate, multipath-based antenna height, surface elevation, and Lagrangian elevation change (Dh/Dt). These data provide validation for complementary high-resolution WorldView stereo digital elevation model (DEM) records, with sampled DEM vertical error of 0.7 m. The GPS antenna height time series document a relative surface elevation increase of 0.7-1.0 m/yr, which is consistent with estimated surface mass balance (SMB) of 0.7-0.9 m.w.e./yr from RACMO2.3 and firn compaction rates from the IMAU-FDM dynamic firn model. An abrupt 0.2-0.3 m surface elevation decrease due to surface melt and/or greater near-surface firn compaction is observed during a period of warm atmospheric temperatures from December 2012 to January 2013. Observed surface Dh/Dt for all PIG shelf sites is highly linear with trends of -1 to -4 m/yr and <0.4 m residuals. Similar Dh/Dt estimates with reduced variability are obtained after removing expected downward GPS pole base velocity from observed GPS antenna Dh/Dt. Estimated Dh/Dt basal melt rates are 10 to 40 m/yr for the outer PIG shelf and 4 m/yr for the South shelf. These melt rates are similar to those derived from ice-bottom acoustic ranging, phase-sensitive ice-penetrating radar, and high-resolution stereo DEM records. The GPS/DEM records document higher melt rates within and near transverse surface depressions and rifts associated with longitudinal extension. Basal melt rates for the 2012-2014 period show limited temporal variability, despite significant change in ocean heat content. This suggests that sub-shelf melt rates are less sensitive to ocean heat content than previously reported, at least for these locations and time periods.

Data indicating temperature response of Ti-6Al-4V thin-walled structure during its additive manufacture via Laser Engineered Net Shaping.

PubMed

Marshall, Garrett J; Thompson, Scott M; Shamsaei, Nima

2016-06-01

An OPTOMEC Laser Engineered Net Shaping (LENS(™)) 750 system was retrofitted with a melt pool pyrometer and in-chamber infrared (IR) camera for nondestructive thermal inspection of the blown-powder, direct laser deposition (DLD) process. Data indicative of temperature and heat transfer within the melt pool and heat affected zone atop a thin-walled structure of Ti-6Al-4V during its additive manufacture are provided. Melt pool temperature data were collected via the dual-wavelength pyrometer while the dynamic, bulk part temperature distribution was collected using the IR camera. Such data are provided in Comma Separated Values (CSV) file format, containing a 752×480 matrix and a 320×240 matrix of temperatures corresponding to individual pixels of the pyrometer and IR camera, respectively. The IR camera and pyrometer temperature data are provided in blackbody-calibrated, raw forms. Provided thermal data can aid in generating and refining process-property-performance relationships between laser manufacturing and its fabricated materials.

Data indicating temperature response of Ti–6Al–4V thin-walled structure during its additive manufacture via Laser Engineered Net Shaping

PubMed Central

Marshall, Garrett J.; Thompson, Scott M.; Shamsaei, Nima

2016-01-01

An OPTOMEC Laser Engineered Net Shaping (LENS™) 750 system was retrofitted with a melt pool pyrometer and in-chamber infrared (IR) camera for nondestructive thermal inspection of the blown-powder, direct laser deposition (DLD) process. Data indicative of temperature and heat transfer within the melt pool and heat affected zone atop a thin-walled structure of Ti–6Al–4V during its additive manufacture are provided. Melt pool temperature data were collected via the dual-wavelength pyrometer while the dynamic, bulk part temperature distribution was collected using the IR camera. Such data are provided in Comma Separated Values (CSV) file format, containing a 752×480 matrix and a 320×240 matrix of temperatures corresponding to individual pixels of the pyrometer and IR camera, respectively. The IR camera and pyrometer temperature data are provided in blackbody-calibrated, raw forms. Provided thermal data can aid in generating and refining process-property-performance relationships between laser manufacturing and its fabricated materials. PMID:27054180

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.

The dynamics of the rapid solidification of two successive aluminum particles in molten state

NASA Astrophysics Data System (ADS)

Zirari, M.; El-Hadj, A. Abdellah; Bacha, N.

2013-12-01

A finite element method is used to simulate coating deposition in the thermal spraying process. The model uses a method based on a fixed-grid Eulerian control volume to solve the fluid dynamics and energy conservation equations. A volume-of-fluid algorithm was used to track free surface deformation. The specific heat method (SHM) is used for the solidification phenomenon. This work deals mainly numerically, the problem related to solidification during impact of two identical aluminium drops, impacting successively on the same point and time-shifted, onto a smooth steel substrate. In the first part of this study, a completely melted particle, sprayed onto substrate tool steel H13 is considered in the objective of identification. Then, we examine four possible cases of successive impacts of two particles and their effects on the sprawl dynamics in different states (fully and/or partially melted). It was found that the internal energy in conjunction with the metallurgical state of the droplet play a key role in the final morphology of the coating.

A slow atomic diffusion process in high-entropy glass-forming metallic melts

NASA Astrophysics Data System (ADS)

Chen, Changjiu; Wong, Kaikin; Krishnan, Rithin P.; Embs, Jan P.; Chathoth, Suresh M.

2018-04-01

Quasi-elastic neutron scattering has been used to study atomic relaxation processes in high-entropy glass-forming metallic melts with different glass-forming ability (GFA). The momentum transfer dependence of mean relaxation time shows a highly collective atomic transport process in the alloy melts with the highest and lowest GFA. However, a jump diffusion process is the long-range atomic transport process in the intermediate GFA alloy melt. Nevertheless, atomic mobility close to the melting temperature of these alloy melts is quite similar, and the temperature dependence of the diffusion coefficient exhibits a non-Arrhenius behavior. The atomic mobility in these high-entropy melts is much slower than that of the best glass-forming melts at their respective melting temperatures.

Inclusion of glacier processes for distributed hydrological modeling at basin scale with application to a watershed in Tianshan Mountains, northwest China

USDA-ARS?s Scientific Manuscript database

In this paper we proposed: (1) an algorithm of glacier melt, sublimation/evaporation, accumulation, mass balance and retreat; (2) a dynamic Hydrological Response Unit approach for incorporating the algorithm into the Soil and Water Assessment Tool (SWAT) model; and (3) simulated the transient glacie...

Deglaciation and glacial erosion: a joint control on magma productivity by continental unloading

NASA Astrophysics Data System (ADS)

Sternai, Pietro; Caricchi, Luca; Castelltort, Sebastien

2016-04-01

Glacial-interglacial cycles affect the processes through which water and rocks are redistributed across the Earth's surface, thereby linking solid-Earth and climate dynamics. Regional and global scale studies suggest that continental lithospheric unloading due to ice melting during the transition to interglacials leads to increased continental magmatic, volcanic and degassing activity. Such a climatic forcing on the melting of the Earth's interior, however, has always been evaluated without considering the additional continental unloading associated with erosion. Current datasets relating to the evolution of erosion rates are typically limited by temporal resolutions that are too low or span too short time intervals to allow for direct comparisons between the contributions from ice melting and erosion to continental unloading at the timescale of the late Pleistocene glacial cycles. Yet, they provide a fundamental observational basis on which to calibrate numerical predictions. Here, we present and discuss numerical results involving synthetic but realistic topographies, ice caps and glacial erosion rates suggesting that erosion may be as important as deglaciation in affecting continental unloading, sub-continental decompression melting and magma productivity. Thus, the timing and magnitude of deglaciation and erosion must be characterized if the forcing of climate change on the continental magmatic/volcanic activity is to be extracted from the remnants of eroded volcanic centers. Our study represents an additional step towards a more general understanding of the links between a changing climate, glacial processes and the melting of the solid Earth.

CO2 lasers and applications II; Proceedings of the Third European Congress on Optics, The Hague, Netherlands, Mar. 12-14, 1990

NASA Technical Reports Server (NTRS)

Opower, Hans (Editor)

1990-01-01

Recent advances in CO2 laser technology and its applications are examined. Topics discussed include the excitation of CO2 lasers by microwave discharge, a compact RF-excited 12-kW CO2 laser, a robotic laser for three-dimensional cutting and welding, three-dimensional CO2-laser material processing with gantry machine systems, and a comparison of hollow metallic waveguides and optical fibers for transmitting CO2-laser radiation. Consideration is given to an aerodynamic window with a pump cavity and a supersonic jet, cutting and welding Al using a high-repetition-rate pulsed CO2 laser, speckle reduction in CO2 heterodyne laser radar systems, high-power-laser float-zone crystal growth, melt dynamics in surface processing with laser radiation, laser hardfacing, surface melting of AlSi10Mg with CO2 laser radiation, material processing with Cu-vapor lasers, light-induced flow at a metal surface, and absorption measurements in high-power CW CO2-laser processing of materials.

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

Plagioclase nucleation and growth kinetics in a hydrous basaltic melt by decompression experiments

NASA Astrophysics Data System (ADS)

Arzilli, Fabio; Agostini, C.; Landi, P.; Fortunati, A.; Mancini, L.; Carroll, M. R.

2015-12-01

Isothermal single-step decompression experiments (at temperature of 1075 °C and pressure between 5 and 50 MPa) were used to study the crystallization kinetics of plagioclase in hydrous high-K basaltic melts as a function of pressure, effective undercooling (Δ T eff) and time. Single-step decompression causes water exsolution and a consequent increase in the plagioclase liquidus, thus imposing an effective undercooling (Δ T eff), accompanied by increased melt viscosity. Here, we show that the decompression process acts directly on viscosity and thermodynamic energy barriers (such as interfacial-free energy), controlling the nucleation process and favoring the formation of homogeneous nuclei also at high pressure (low effective undercoolings). In fact, this study shows that similar crystal number densities ( N a) can be obtained both at low and high pressure (between 5 and 50 MPa), whereas crystal growth processes are favored at low pressures (5-10 MPa). The main evidence of this study is that the crystallization of plagioclase in decompressed high-K basalts is more rapid than that in rhyolitic melts on similar timescales. The onset of the crystallization process during experiments was characterized by an initial nucleation event within the first hour of the experiment, which produced the largest amount of plagioclase. This nucleation event, at short experimental duration, can produce a dramatic change in crystal number density ( N a) and crystal fraction ( ϕ), triggering a significant textural evolution in only 1 h. In natural systems, this may affect the magma rheology and eruptive dynamics on very short time scales.

Mechanical, thermal and morphological characterization of polycarbonate/oxidized carbon nanofiber composites produced with a lean 2-step manufacturing process.

PubMed

Lively, Brooks; Kumar, Sandeep; Tian, Liu; Li, Bin; Zhong, Wei-Hong

2011-05-01

In this study we report the advantages of a 2-step method that incorporates an additional process pre-conditioning step for rapid and precise blending of the constituents prior to the commonly used melt compounding method for preparing polycarbonate/oxidized carbon nanofiber composites. This additional step (equivalent to a manufacturing cell) involves the formation of a highly concentrated solid nano-nectar of polycarbonate/carbon nanofiber composite using a solution mixing process followed by melt mixing with pure polycarbonate. This combined method yields excellent dispersion and improved mechanical and thermal properties as compared to the 1-step melt mixing method. The test results indicated that inclusion of carbon nanofibers into composites via the 2-step method resulted in dramatically reduced ( 48% lower) coefficient of thermal expansion compared to that of pure polycarbonate and 30% lower than that from the 1-step processing, at the same loading of 1.0 wt%. Improvements were also found in dynamic mechanical analysis and flexural mechanical properties. The 2-step approach is more precise and leads to better dispersion, higher quality, consistency, and improved performance in critical application areas. It is also consistent with Lean Manufacturing principles in which manufacturing cells are linked together using less of the key resources and creates a smoother production flow. Therefore, this 2-step process can be more attractive for industry.

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.

Melting in Superheated Silicon Films Under Pulsed-Laser Irradiation

NASA Astrophysics Data System (ADS)

Wang, Jin Jimmy

This thesis examines melting in superheated silicon films in contact with SiO2 under pulsed laser irradiation. An excimer-laser pulse was employed to induce heating of the film by irradiating the film through the transparent fused-quartz substrate such that most of the beam energy was deposited near the bottom Si-SiO2 interface. Melting dynamics were probed via in situ transient reflectance measurements. The temperature profile was estimated computationally by incorporating temperature- and phase-dependent physical parameters and the time-dependent intensity profile of the incident excimer-laser beam obtained from the experiments. The results indicate that a significant degree of superheating occurred in the subsurface region of the film. Surface-initiated melting was observed in spite of the internal heating scheme, which resulted in the film being substantially hotter at and near the bottom Si-SiO2 interface. By considering that the surface melts at the equilibrium melting point, the solid-phase-only heat-flow analysis estimates that the bottom Si-SiO2 interface can be superheated by at least 220 K during excimer-laser irradiation. It was found that at higher laser fluences (i.e., at higher temperatures), melting can be triggered internally. At heating rates of 1010 K/s, melting was observed to initiate at or near the (100)-oriented Si-SiO2 interface at temperatures estimated to be over 300 K above the equilibrium melting point. Based on theoretical considerations, it was deduced that melting in the superheated solid initiated via a nucleation and growth process. Nucleation rates were estimated from the experimental data using Johnson-Mehl-Avrami-Kolmogorov (JMAK) analysis. Interpretation of the results using classical nucleation theory suggests that nucleation of the liquid phase occurred via the heterogeneous mechanism along the Si-SiO2 interface.

Simulation results of influence of constricted arc column on anode deformation and melting pool swirl in vacuum arcs with AMF contacts

NASA Astrophysics Data System (ADS)

Wang, Lijun; Zhang, Xiao; Huang, Xiaolong; Jia, Shenli

2017-11-01

In the process of vacuum arc breaking, the energy injected into the anode will cause anode melting, evaporation, and deformation, resulting in the formation of the anode melting pool. The anode activities have great influence on the arc behavior. When the arc current is large enough, even the influence of axial magnetic field is considered, the arc column still is in contraction state, which means the arc burns only on a part of the electrode. In this paper, the model of anode melting pool deformation and rotation is used, and the model includes anode melting and solidification module, magneto-hydro-dynamic module of the anode melting pool, the volume of fraction method, and the current continuity equation. In this paper, the diffuse arc area is selected as 100%, 75%, and 50%, respectively. The anode temperature and deformation, the anode melting layer thickness, and the rotational velocity of the anode melting pool are obtained. The results show that when the current is at 17.5 kA (rms) and the diffuse arc area is 100%, the anode's maximum temperature is 1477 K and the crater depth is 0.83 mm. But when the diffuse arc areas are 75% and 50%, the anode's maximum temperatures reach 1500 K and 1761 K, and the crater depths reach 1.2 mm and 3 mm, respectively. Arc contraction will lead to more serious anode deformation. A similar result is obtained when the simulation current is 12.5 kA. Under the similar situation, the simulation results in the crater depth, the residual melt layer thickness, the rotational speed of the melting pool, and the maximum temperature of the anode at current zero are in good agreement with the experimental results.

Rheological Properties and Foaming Behavior of Poly(Ethylene Terephthalates) Modified with Pyromellitic Dianhydride

NASA Astrophysics Data System (ADS)

Yang, Zhao-Ping; Xin, Chun-Ling; Guo, Ya-Feng; Luo, Yi-Wei; He, Ya-Dong

2016-05-01

Improving the melt viscoelasticity of poly(ethylene terephthalate) (PET) is a well-known method to obtain foamable PET. The aim of this study is to prepare high melt strength PET and evaluate the influence of rheological properties of PET on the foaming behavior. For this purpose, pyromelliticdianhydride was used as the chain extender to modify a linear PET through melt reactive processing. The rheological properties of the unmodified and modified PETs were measured by a dynamic rheometer. Results showed that the modified PET had higher complex viscosity than the unmodified one. Furthermore, the batch foaming by using supercritical CO2 as a blowing agent was carried to evaluate the foamability of modified PETs. It was found that an enlarged foaming temperature window was obtained for modified PETs compared to unmodified PET. Moreover, the modified PETs foams exhibited higher expansion ratio, smaller cell size and higher cell density at high temperatures than the neat PET.

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

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.

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.

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.

Kinetic Controls on Formation of Textures in Rapidly Cooled Rocks

NASA Technical Reports Server (NTRS)

Lofgren, Gary E.

2006-01-01

The crystallization of silicate melts is a complex process involving melts usually produced by partial melting and cooling environments that are rapid in volcanic lavas or so slow as to be auto-metamorphic in plutonic regimes. The volcanic lavas are amenable to laboratory study as are chondrules that comprise the bulk of chondritic meteorites. Dynamic crystallization studies of basalt and chondrule melts have shown that nucleation has a more profound effect on the final texture than the cooling or crystal growth rates. The sequence of crystal shapes grown at increasing degrees of supercooling (DELTA T) or cooling rate demonstrates the effect of increasing growth rate. Equant or euhedral crystals become skeletal, then dendritic and ultimately spherulitic indicating the nucleation temperature and the DELTA T when growth began. Because crystals cannot grow until they nucleate, cooling rate does not always correlate with crystal growth rate and thus crystal shape. Silicate melts cooled at the same rate can have drastically different textures depending on the temperature of nucleation. A dynamic crystallization study of basaltic rocks shows that basaltic lavas must erupt with sufficient crystals present in the melt to act as nuclei and foster growth. With nuclei present, growth will begin when the temperature drops below the liquidus temperature and typical basaltic textures such as intersertal, intergranular or subophitic will form. If nuclei are not present, crystallization will not begin immediately and the DELTA T will increase until embryos in the melts become nuclei. The DELTA T present when grow begins dictates the growth rate and the crystal shapes and thus the rock texture. If nucleation is delayed, growth will take place at high DELTA T and the crystals will favor skeletal or dendritic shapes. Chondrules are usually considered crystallized melt droplets and clearly some are, but most are not. Most chondrules have porphyritic textures that cannot develop from totally melted droplets because nucleation is delayed during cooling and growth occurs at high DELTA T and the resulting textures are dendritic or spherulitic. The porphyritic textures will develop only if the chondrule is partially molten and begins to crystallize immediately upon cooling. Chondrule compositions are close to komatiites and these studies bear on the origin of their textures as well.

High-temperature apparatus for chaotic mixing of natural silicate melts

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

Morgavi, D.; Petrelli, M.; Vetere, F. P.

2015-10-15

A unique high-temperature apparatus was developed to trigger chaotic mixing at high-temperature (up to 1800 °C). This new apparatus, which we term Chaotic Magma Mixing Apparatus (COMMA), is designed to carry out experiments with high-temperature and high-viscosity (up to 10{sup 6} Pa s) natural silicate melts. This instrument allows us to follow in time and space the evolution of the mixing process and the associated modulation of chemical composition. This is essential to understand the dynamics of magma mixing and related chemical exchanges. The COMMA device is tested by mixing natural melts from Aeolian Islands (Italy). The experiment was performed atmore » 1180 °C using shoshonite and rhyolite melts, resulting in a viscosity ratio of more than three orders of magnitude. This viscosity ratio is close to the maximum possible ratio of viscosity between high-temperature natural silicate melts. Results indicate that the generated mixing structures are topologically identical to those observed in natural volcanic rocks highlighting the enormous potential of the COMMA to replicate, as a first approximation, the same mixing patterns observed in the natural environment. COMMA can be used to investigate in detail the space and time development of magma mixing providing information about this fundamental petrological and volcanological process that would be impossible to investigate by direct observations. Among the potentials of this new experimental device is the construction of empirical relationships relating the mixing time, obtained through experimental time series, and chemical exchanges between the melts to constrain the mixing-to-eruption time of volcanic systems, a fundamental topic in volcanic hazard assessment.« less

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.

Mechanistic modeling of modular co-rotating twin-screw extruders.

PubMed

Eitzlmayr, Andreas; Koscher, Gerold; Reynolds, Gavin; Huang, Zhenyu; Booth, Jonathan; Shering, Philip; Khinast, Johannes

2014-10-20

In this study, we present a one-dimensional (1D) model of the metering zone of a modular, co-rotating twin-screw extruder for pharmaceutical hot melt extrusion (HME). The model accounts for filling ratio, pressure, melt temperature in screw channels and gaps, driving power, torque and the residence time distribution (RTD). It requires two empirical parameters for each screw element to be determined experimentally or numerically using computational fluid dynamics (CFD). The required Nusselt correlation for the heat transfer to the barrel was determined from experimental data. We present results for a fluid with a constant viscosity in comparison to literature data obtained from CFD simulations. Moreover, we show how to incorporate the rheology of a typical, non-Newtonian polymer melt, and present results in comparison to measurements. For both cases, we achieved excellent agreement. Furthermore, we present results for the RTD, based on experimental data from the literature, and found good agreement with simulations, in which the entire HME process was approximated with the metering model, assuming a constant viscosity for the polymer melt. Copyright © 2014. Published by Elsevier B.V.

Additive Manufacturing of Functional Elements on Sheet Metal

NASA Astrophysics Data System (ADS)

Schaub, Adam; Ahuja, Bhrigu; Butzhammer, Lorenz; Osterziel, Johannes; Schmidt, Michael; Merklein, Marion

Laser Beam Melting (LBM) process with its advantages of high design flexibility and free form manufacturing methodology is often applied limitedly due to its low productivity and unsuitability for mass production compared to conventional manufacturing processes. In order to overcome these limitations, a hybrid manufacturing methodology is developed combining the additive manufacturing process of laser beam melting with sheet forming processes. With an interest towards aerospace and medical industry, the material in focus is Ti-6Al-4V. Although Ti-6Al-4V is a commercially established material and its application for LBM process has been extensively investigated, the combination of LBM of Ti-6Al-4V with sheet metal still needs to be researched. Process dynamics such as high temperature gradients and thermally induced stresses lead to complex stress states at the interaction zone between the sheet and LBM structure. Within the presented paper mechanical characterization of hybrid parts will be performed by shear testing. The association of shear strength with process parameters is further investigated by analyzing the internal structure of the hybrid geometry at varying energy inputs during the LBM process. In order to compare the hybrid manufacturing methodology with conventional fabrication, the conventional methodologies subtractive machining and state of the art Laser Beam Melting is evaluated within this work. These processes will be analyzed for their mechanical characteristics and productivity by determining the build time and raw material consumption for each case. The paper is concluded by presenting the characteristics of the hybrid manufacturing methodology compared to alternative manufacturing technologies.

Modelling of thermal field and point defect dynamics during silicon single crystal growth using CZ technique

NASA Astrophysics Data System (ADS)

Sabanskis, A.; Virbulis, J.

2018-05-01

Mathematical modelling is employed to numerically analyse the dynamics of the Czochralski (CZ) silicon single crystal growth. The model is axisymmetric, its thermal part describes heat transfer by conduction and thermal radiation, and allows to predict the time-dependent shape of the crystal-melt interface. Besides the thermal field, the point defect dynamics is modelled using the finite element method. The considered process consists of cone growth and cylindrical phases, including a short period of a reduced crystal pull rate, and a power jump to avoid large diameter changes. The influence of the thermal stresses on the point defects is also investigated.

Experimental Investigation of the Viscosity of Iron-rich Silicate Melts under Pressure

NASA Astrophysics Data System (ADS)

Edwards, P. M.; Lesher, C. E.; Pommier, A.; O'Dwyer Brown, L.

2017-12-01

The transport properties of silicate melts govern diffusive flow of momentum, heat, and mass in the interior of terrestrial planets. In particular, constraining melt viscosity is critical for dynamic modeling of igneous processes and is thus key to our understanding of magma convection and mixing, melt migration in the mantle, and crystal-liquid fractionation. Among the different constituents of silicate melts, iron is of significant importance as it highly influences some of their properties, such as surface tension, compressibility, and density. We present an experimental study of the viscosity of natural and synthetic iron-rich silicate melts under pressure. In situ falling-sphere measurements of viscosity have been conducted on hedenbergite (CaFeSi2O6) and iron-rich peridotite melts from 1 to 7 GPa and at temperatures between 1750 and 2100 K, using the multi-anvil apparatus at the GSECARS beamline at the Advanced Photon Source, Argonne National Lab. We used double reservoir capsules, with the bottom reservoir containing the sample, while a more refractory material is placed in the upper reservoir (e.g., diopside, enstatite, forsterite). This configuration allows the fall of two rhenium spheres across the sample at different temperatures. Melt viscosity is calculated using Stokes' law and the terminal velocity of the spheres. We observe that melt viscosity slightly decreases with increasing temperature and increasing pressure: for instance, the viscosity of the hedenbergite melt decreases from 1.26 Pa•s to 0.43 Pa•s over the 1 - 3.5 GPa pressure range and between 1820 and 1930 K. Our experimental data are used to develop a viscosity model of iron-rich silicate melts under pressure. Results will be compared with previous viscosity works on iron-free and iron-bearing silicate liquids in order to discuss the effect of iron on melt viscosity and structure at pressure and temperature conditions relevant to terrestrial mantles.

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.

Self organized striping in ultra thin polymer films near melt: An investigation using Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Singh, Satya Pal

2018-05-01

This paper work presents the results of Monte Carlo simulation performed for ultra thin short chained polymer films near melt, under strong confinement. Thin polymer films get ruptured when annealed above their glass transition temperatures. The pattern formations are generally explained on the basis of spinodal mechanism, if the thickness of the film is of the order of few tens of nanometers i.e. <100 nm. In this case, the film seems to tear apart in strips. The free end segments of the chains are more dynamic and coalescence into one another. This process seems to dominate over the spinodal waves resulting into a different type of dynamics. Polymer chains with 30 monomers are taken. 160, 200 and 240 chains are taken for three different cases of the studies. The three cases correspond to three different thickness of the films with 8, 10 and 12 layers of chains along direction perpendicular to the confining substrates. The bottom surface has affinity to monomers, whereas the upper surface has hard wall interaction with the monomers. Different time micrographs of the films are plotted along with density distributions of the monomers to explore the process.

Melting and Vaporization of the 1223 Phase in the System (Tl-Pb-Ba-Sr-Ca-Cu-O)

PubMed Central

Cook, L. P.; Wong-Ng, W.; Paranthaman, P.

1996-01-01

The melting and vaporization of the 1223 [(Tl,Pb):(Ba,Sr):Ca:Cu] oxide phase in the system (Tl-Pb-Ba-Sr-Ca-Cu-O) have been investigated using a combination of dynamic methods (differential thermal analysis, thermogravimetry, effusion) and post-quenching characterization techniques (powder x-ray diffraction, scanning electron microscopy, energy dispersive x-ray spectrometry). Vaporization rates, thermal events, and melt compositions were followed as a function of thallia loss from a 1223 stoichiometry. Melting and vaporization equilibria of the 1223 phase are complex, with as many as seven phases participating simultaneously. At a total pressure of 0.1 MPa the 1223 phase was found to melt completely at (980 ± 5) °C in oxygen, at a thallia partial pressure (pTl2O) of (4.6 ± 0.5) kPa, where the quoted uncertainties are standard uncertainties, i.e., 1 estimated standard deviation. The melting reaction involves five other solids and a liquid, nominally as follows: 1223→1212+(Ca,Sr)2CuO3+(Sr,Ca)CuO2+BaPbO3+(Ca,Sr)O+Liquid Stoichiometries of the participating phases have been determined from microchemical analysis, and substantial elemental substitution on the 1212 and 1223 crystallographic sites is indicated. The 1223 phase occurs in equilibrium with liquids from its melting point down to at least 935 °C. The composition of the lowest melting liquid detected for the bulk compositions of this study has been measured using microchemical analysis. Applications to the processing of superconducting wires and tapes are discussed. PMID:27805086

Where glaciers meet water: Subaqueous melt and its relevance to glaciers in various settings

NASA Astrophysics Data System (ADS)

Truffer, Martin; Motyka, Roman J.

2016-03-01

Glacier change is ubiquitous, but the fastest and largest magnitude changes occur in glaciers that terminate in water. This includes the most rapidly retreating glaciers, and also several advancing ones, often in similar regional climate settings. Furthermore, water-terminating glaciers show a large range in morphology, particularly when ice flow into ocean water is compared to that into freshwater lakes. All water-terminating glaciers share the ability to lose significant volume of ice at the front, either through mechanical calving or direct melt from the water in contact. Here we present a review of the subaqueous melt process. We discuss the relevant physics and show how different physical settings can lead to different glacial responses. We find that subaqueous melt can be an important trigger for glacier change. It can explain many of the morphological differences, such as the existence or absence of floating tongues. Subaqueous melting is influenced by glacial runoff, which is largely a function of atmospheric conditions. This shows a tight connection between atmosphere, oceans and lakes, and glaciers. Subaqueous melt rates, even if shown to be large, should always be discussed in the context of ice supply to the glacier front to assess its overall relevance. We find that melt is often relevant to explain seasonal evolution, can be instrumental in shifting a glacier into a different dynamical regime, and often forms a large part of a glacier's mass loss. On the other hand, in some cases, melt is a small component of mass loss and does not significantly affect glacier response.

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

Modulation of Sea Ice Melt Onset and Retreat in the Laptev Sea by the Timing of Snow Retreat in the West Siberian Plain

NASA Astrophysics Data System (ADS)

Crawford, A. D.; Stroeve, J.; Serreze, M. C.; Rajagopalan, B.; Horvath, S.

2017-12-01

As much of the Arctic Ocean transitions to ice-free conditions in summer, efforts have increased to improve seasonal forecasts of not only sea ice extent, but also the timing of melt onset and retreat. This research investigates the potential of regional terrestrial snow retreat in spring as a predictor for subsequent sea ice melt onset and retreat in Arctic seas. One pathway involves earlier snow retreat enhancing atmospheric moisture content, which increases downwelling longwave radiation over sea ice cover downstream. Another pathway involves manipulation of jet stream behavior, which may affect the sea ice pack via both dynamic and thermodynamic processes. Although several possible connections between snow and sea ice regions are identified using a mutual information criterion, the physical mechanisms linking snow retreat and sea ice phenology are most clearly exemplified by variability of snow retreat in the West Siberian Plain impacting melt onset and sea ice retreat in the Laptev Sea. The detrended time series of snow retreat in the West Siberian Plain explains 26% of the detrended variance in Laptev Sea melt onset (29% for sea ice retreat). With modest predictive skill and an average time lag of 53 (88) days between snow retreat and sea ice melt onset (retreat), West Siberian Plains snow retreat is useful for refining seasonal sea ice predictions in the Laptev Sea.

Dynamic control of remelting processes

DOEpatents

Bertram, Lee A.; Williamson, Rodney L.; Melgaard, David K.; Beaman, Joseph J.; Evans, David G.

2000-01-01

An apparatus and method of controlling a remelting process by providing measured process variable values to a process controller; estimating process variable values using a process model of a remelting process; and outputting estimated process variable values from the process controller. Feedback and feedforward control devices receive the estimated process variable values and adjust inputs to the remelting process. Electrode weight, electrode mass, electrode gap, process current, process voltage, electrode position, electrode temperature, electrode thermal boundary layer thickness, electrode velocity, electrode acceleration, slag temperature, melting efficiency, cooling water temperature, cooling water flow rate, crucible temperature profile, slag skin temperature, and/or drip short events are employed, as are parameters representing physical constraints of electroslag remelting or vacuum arc remelting, as applicable.

Direct Metal Deposition of Refractory High Entropy Alloy MoNbTaW

NASA Astrophysics Data System (ADS)

Dobbelstein, Henrik; Thiele, Magnus; Gurevich, Evgeny L.; George, Easo P.; Ostendorf, Andreas

Alloying of refractory high entropy alloys (HEAs) such as MoNbTaW is usually done by vacuum arc melting (VAM) or powder metallurgy (PM) due to the high melting points of the elements. Machining to produce the final shape of parts is often needed after the PM process. Casting processes, which are often used for aerospace components (turbine blades, vanes), are not possible. Direct metal deposition (DMD) is an additive manufacturing technique used for the refurbishment of superalloy components, but generating these components from the bottom up is also of current research interest. MoNbTaW possesses high yield strength at high temperatures and could be an alternative to state-of-the-art materials. In this study, DMD of an equimolar mixture of elemental powders was performed with a pulsed Nd:YAG laser. Single wall structures were built, deposition strategies developed and the microstructure of MoNbTaW was analyzed by back scattered electrons (BSE) and energy dispersive X-ray (EDX) spectroscopy in a scanning electron microscope. DMD enables the generation of composition gradients by using dynamic powder mixing instead of pre-alloyed powders. However, the simultaneous handling of several elemental or pre-alloyed powders brings new challenges to the deposition process. The influence of thermal properties, melting point and vapor pressure on the deposition process and chemical composition will be discussed.

Insights into Spatial Sensitivities of Ice Mass Response to Environmental Change from the SeaRISE Ice Sheet Modeling Project I: Antarctica

NASA Technical Reports Server (NTRS)

Nowicki, Sophie; Bindschadler, Robert A.; Abe-Ouchi, Ayako; Aschwanden, Andy; Bueler, Ed; Choi, Hyengu; Fastook, Jim; Granzow, Glen; Greve, Ralf; Gutowski, Gail;

Investigating plume dynamics at the ocean-glacier interface with turbulence profiling and autonomous vessels

NASA Astrophysics Data System (ADS)

Jackson, R. H.; Nash, J. D.; Sutherland, D. A.; Amundson, J. M.; Kienholz, C.; Skyllingstad, E. D.; Motyka, R. J.

2017-12-01

The exchanges of heat and freshwater at tidewater glacier termini are modulated by small-scale turbulent processes. However, few observations have been obtained near the ocean-glacier interface, limiting our ability to quantify turbulent fluxes or test melt parameterizations in ocean-glacier models. Here, we explore the turbulent plume dynamics at LeConte Glacier, Alaska with three extensive field campaigns in May, August and September (2016-17). Two autonomous vessels collected repeat transects of velocity and water properties near the glacier, often within 20 m of the terminus. Concurrent shipboard surveying measured turbulence with a vertical microstructure profiler, along with water properties and velocity. These high-resolution surveys provide a 3D view of the circulation and allow us to quantify turbulent fluxes in the near-glacier region. We observe two regimes at the terminus: an energetic upwelling plume driven by subglacial discharge at a persistent location, and submarine melt-driven convection along other parts of the terminus. We trace the evolution of the subglacial discharge plume as it flows away from the glacier, from an initial stage of vigorous mixing to a more quiescent outflow downstream. Resolving these spatial patterns of upwelling and mixing near glaciers is a key step towards understanding submarine melt rates and glacial fjord circulation.

Distinct enhancement of sub-bandgap photoresponse through intermediate band in high dose implanted ZnTe:O alloys

NASA Astrophysics Data System (ADS)

Li, Jing; Ye, Jiandong; Ren, Fangfang; Tang, Dongming; Yang, Yi; Tang, Kun; Gu, Shulin; Zhang, Rong; Zheng, Youdou

2017-03-01

The demand for high efficiency intermediate band (IB) solar cells is driving efforts in producing high quality IB photovoltaic materials. Here, we demonstrate ZnTe:O highly mismatched alloys synthesized by high dose ion implantation and pulsed laser melting exhibiting optically active IB states and efficient sub-gap photoresponse, as well as investigate the effect of pulsed laser melting on the structural and optical recovery in detail. The structural evolution and vibrational dynamics indicates a significant structural recovery of ZnTe:O alloys by liquid phase epitaxy during pulsed laser melting process, but laser irradiation also aggravates the segregation of Te in ZnTe:O alloys. A distinct intermediate band located at 1.8 eV above valence band is optically activated as evidenced by photoluminescence, absorption and photoresponse characteristics. The carrier dynamics indicates that carriers in the IB electronic states have a relatively long lifetime, which is beneficial for the fast separation of carriers excited by photons with sub-gap energy and thus the improved overall conversion efficiency. The reproducible capability of implantation and laser annealing at selective area enable the realization of high efficient lateral junction solar cells, which can ensure extreme light trapping and efficient charge separation.

Early evolution and dynamics of Earth from a molten initial stage

NASA Astrophysics Data System (ADS)

Louro Lourenço, D. J.; Tackley, P. J.

2014-12-01

It is now well established that most of the terrestrial planets underwent a magma ocean stage during their accretion. On Earth, it is probable that at the end of accretion, giant impacts like the hypothesised Moon-forming impact, together with other sources of heat, melted a substantial part of the mantle. The thermal and chemical evolution of the resulting magma ocean most certainly had dramatic consequences on the history of the planet. Considerable research has been done on magma oceans using simple 1-D models (e.g.: Abe, PEPI 1997; Solomatov, Treat. Geophys. 2007; Elkins-Tanton EPSL 2008). However, some aspects of the dynamics may not be adequately addressed in 1-D and require the use of 2-D or 3-D models. Moreover, new developments in mineral physics that indicate that melt can be denser than solid at high pressures (e.g.: de Koker et al., EPSL 2013) can have very important impacts on the classical views of the solidification of magma oceans (Labrosse et al., Nature 2007). The goal of our study is to understand and characterize the influence of melting on the long-term thermo-chemical evolution of rocky planet interiors, starting from an initial molten state (magma ocean). Our approach is to model viscous creep of the solid mantle, while parameterizing processes that involve melt as previously done in 1-D models, including melt-solid separation at all melt fractions, the use of an effective diffusivity to parameterize turbulent mixing, coupling to a parameterized core heat balance and a radiative surface boundary condition. These enhancements have been made to the numerical code StagYY (Tackley, PEPI 2008). We will present results for the evolution of an Earth-like planet from a molten initial state to present day, while testing the effect of uncertainties in parameters such as melt-solid density differences, surface heat loss and efficiency of turbulent mixing. Our results show rapid cooling and crystallization until the rheological transition then much slower crystallization, large-scale overturn well before full solidification, the formation and subduction of an early crust while a partially-molten upper mantle is still present, transitioning to mostly-solid-state long-term mantle convection and plate tectonics.

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.

Magma intrusion and accumulation in the southern Altiplano: Structural observations from the PLUTONS project

NASA Astrophysics Data System (ADS)

West, M. E.; Christensen, D. H.; Pritchard, M. E.; Del Potro, R.; Gottsmann, J.; Unsworth, M.; Minaya, E.; Sunagua, M.; McNutt, S. R.; Yu, Q.; Farrell, A. K.

2012-12-01

The PLUTONS project is attempting to capture the process of magma intrusion and pluton formation, in situ, through multi-disciplinary study of known magmatic inflation centers. With support from the NSF Continental Dynamics program, and a sister project in the UK funded by NERC, two such centers are receiving focused study. Uturuncu volcano in the Altiplano of southern Bolivia is being investigated with combined seismics, magnetotellurics, geodesy, microgravity, geomorphology, petrology, geochemistry, historical studies and modeling. 350 km to the south, comparable investigations are targeting the Lastarria-Cordon del Azufre complex. Field studies are ongoing into 2013. In this presentation we highlight results from Uturuncu that bear on the crustal magmatic process. Seismic tomography, gravity and magnetotellurics indicate a complex structure in the upper 20 km with some evidence for partial melt. Seismic receiver functions indicate a layer of very low velocities across the region at 15-25 km depth that is almost certainly melt-rich. High conductivities corroborate the interpretation of a partial melt component to this layer. In addition to the throughgoing melt layer, seismic velocities and attenuation indicate shallow features above the melt body extending upward toward the surface. It is not clear whether these features are associated with recent uplift or are remnants from a previous period of activity. Uturuncu is seismically active with hundreds of locatable earthquakes each year. Seismic lineations and swarm behavior suggest that the seismicity reflects regional stress patterns. While there is little evidence that these earthquakes are the direct result of magmatic intrusion, the resulting high heat flow may be hastening existing strains.

Thermal annihilation of photo-induced radicals following dynamic nuclear polarization to produce transportable frozen hyperpolarized 13C-substrates

PubMed Central

Capozzi, Andrea; Cheng, Tian; Boero, Giovanni; Roussel, Christophe; Comment, Arnaud

2017-01-01

Hyperpolarization via dynamic nuclear polarization (DNP) is pivotal for boosting magnetic resonance imaging (MRI) sensitivity and dissolution DNP can be used to perform in vivo real-time 13C MRI. The type of applications is however limited by the relatively fast decay time of the hyperpolarized spin state together with the constraint of having to polarize the 13C spins in a dedicated apparatus nearby but separated from the MRI magnet. We herein demonstrate that by polarizing 13C with photo-induced radicals, which can be subsequently annihilated using a thermalization process that maintains the sample temperature below its melting point, hyperpolarized 13C-substrates can be extracted from the DNP apparatus in the solid form, while maintaining the enhanced 13C polarization. The melting procedure necessary to transform the frozen solid into an injectable solution containing the hyperpolarized 13C-substrates can therefore be performed ex situ, up to several hours after extraction and storage of the polarized solid. PMID:28569840

Homogeneous nucleation and microstructure evolution in million-atom molecular dynamics simulation

PubMed Central

Shibuta, Yasushi; Oguchi, Kanae; Takaki, Tomohiro; Ohno, Munekazu

2015-01-01

Homogeneous nucleation from an undercooled iron melt is investigated by the statistical sampling of million-atom molecular dynamics (MD) simulations performed on a graphics processing unit (GPU). Fifty independent instances of isothermal MD calculations with one million atoms in a quasi-two-dimensional cell over a nanosecond reveal that the nucleation rate and the incubation time of nucleation as functions of temperature have characteristic shapes with a nose at the critical temperature. This indicates that thermally activated homogeneous nucleation occurs spontaneously in MD simulations without any inducing factor, whereas most previous studies have employed factors such as pressure, surface effect, and continuous cooling to induce nucleation. Moreover, further calculations over ten nanoseconds capture the microstructure evolution on the order of tens of nanometers from the atomistic viewpoint and the grain growth exponent is directly estimated. Our novel approach based on the concept of “melting pots in a supercomputer” is opening a new phase in computational metallurgy with the aid of rapid advances in computational environments. PMID:26311304

The Autumn of break-ups: When Jakobshavn Isbrae lost its floating tongue

NASA Astrophysics Data System (ADS)

Aschwanden, A.; Fahnestock, M. A.; Truffer, M.; Motyka, R. J.

2015-12-01

Capturing the temporal variability in outlet glacier flow remains one of the holy grails in ice sheet modeling. Here we demonstrate progress using the three-dimensional Parallel Ice Sheet Model. Using a first-order calving law and prescribed subshelf basal melt rates, we performed high-resolution (<1km) hindcasts of the Greenland Ice Sheet of the 1989-2012 period. These hindcasts allow us to study the processes governing ice-shelf thinning, break-up, and subsequent speed-ups and dynamic thinning. Focussing our analysis on the Jakobshavn basin we show that our simulations are able to capture the thinning of the floating tongue resulting from increased subshelf basal melt rates. Furthermore, our simulations capture both the magnitude and the timing of the dynamic thinning associated with the loss of the floating tongue, as well as the speed-up. We find little seasonal variations in surface speeds prior to 1995, and strong variations thereafter, in good agreement with observations of Echelmeyer and Harrison (1991) and Joughin et al (2012).

String-like collective motion in the α- and β-relaxation of a coarse-grained polymer melt

NASA Astrophysics Data System (ADS)

Pazmiño Betancourt, Beatriz A.; Starr, Francis W.; Douglas, Jack F.

2018-03-01

Relaxation in glass-forming liquids occurs as a multi-stage hierarchical process involving cooperative molecular motion. First, there is a "fast" relaxation process dominated by the inertial motion of the molecules whose amplitude grows upon heating, followed by a longer time α-relaxation process involving both large-scale diffusive molecular motion and momentum diffusion. Our molecular dynamics simulations of a coarse-grained glass-forming polymer melt indicate that the fast, collective motion becomes progressively suppressed upon cooling, necessitating large-scale collective motion by molecular diffusion for the material to relax approaching the glass-transition. In each relaxation regime, the decay of the collective intermediate scattering function occurs through collective particle exchange motions having a similar geometrical form, and quantitative relationships are derived relating the fast "stringlet" collective motion to the larger scale string-like collective motion at longer times, which governs the temperature-dependent activation energies associated with both thermally activated molecular diffusion and momentum diffusion.

Dynamics of melt crystal interface and thermal stresses in rotational Bridgman crystal growth process

NASA Astrophysics Data System (ADS)

Ma, Ronghui; Zhang, Hui; Larson, David J.; Mandal, Krishna C.

2004-05-01

The growth process of potassium bromide (KBr) single crystals in a vertical Bridgman furnace has been studied numerically using an integrated model that combines formulation of global heat transfer and thermal elastic stresses. The global heat transfer sub-model accounts for conduction, convection and interface movement in the multiphase system. Using the elastic stress sub-model, thermal stresses in the growing crystal caused by the non-uniform temperature distribution is predicted. Special attention is directed to the interaction between the crystal and the ampoule. The global temperature distribution in the furnace, the flow pattern in the melt and the interface shapes are presented. We also investigate the effects of the natural convection and rotational forced convection on the shape of the growth fronts. Furthermore, the state of the thermal stresses in the crystal is studied to understand the plastic deformation mechanisms during the cooling process. The influence of the wall contact on thermal stresses is also addressed.

Experiment and simulation study of laser dicing silicon with water-jet

NASA Astrophysics Data System (ADS)

Bao, Jiading; Long, Yuhong; Tong, Youqun; Yang, Xiaoqing; Zhang, Bin; Zhou, Zupeng

2016-11-01

Water-jet laser processing is an internationally advanced technique, which combines the advantages of laser processing with water jet cutting. In the study, the experiment of water-jet laser dicing are conducted with ns pulsed laser of 1064 nm irradiating, and Smooth Particle Hydrodynamic (SPH) technique by AUTODYN software was modeled to research the fluid dynamics of water and melt when water jet impacting molten material. The silicon surface morphology of the irradiated spots has an appearance as one can see in porous formation. The surface morphology exhibits a large number of cavities which indicates as bubble nucleation sites. The observed surface morphology shows that the explosive melt expulsion could be a dominant process for the laser ablating silicon in liquids with nanosecond pulse laser of 1064 nm irradiating. Self-focusing phenomenon was found and its causes are analyzed. Smooth Particle Hydrodynamic (SPH) modeling technique was employed to understand the effect of water and water-jet on debris removal during water-jet laser machining.

Hot-melt extrusion--basic principles and pharmaceutical applications.

PubMed

Lang, Bo; McGinity, James W; Williams, Robert O

2014-09-01

Originally adapted from the plastics industry, the use of hot-melt extrusion has gained favor in drug delivery applications both in academia and the pharmaceutical industry. Several commercial products made by hot-melt extrusion have been approved by the FDA, demonstrating its commercial feasibility for pharmaceutical processing. A significant number of research articles have reported on advances made regarding the pharmaceutical applications of the hot-melt extrusion processing; however, only limited articles have been focused on general principles regarding formulation and process development. This review provides an in-depth analysis and discussion of the formulation and processing aspects of hot-melt extrusion. The impact of physicochemical properties of drug substances and excipients on formulation development using a hot-melt extrusion process is discussed from a material science point of view. Hot-melt extrusion process development, scale-up, and the interplay of formulation and process attributes are also discussed. Finally, recent applications of hot-melt extrusion to a variety of dosage forms and drug substances have also been addressed.

Spall Response of Additive Manufactured Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Brown, Andrew; Gregg, Adam; Escobedo, Jp; Hazell, Paul; East, Daniel; Quadir, Zakaria

2017-06-01

Additive manufactured (AM) Ti-6Al-4V was produced via electron beam melting (EBM) and laser melting deposition (LMD) techniques. The dynamic response of AM varieties of common aerospace and infrastructure metals are yet to be fully characterized and compared to their traditionally processed counterparts. Spall damage is one of the primary failure modes in metals subjected to shock loading from high velocity impact. Both EBM and LMD Ti-6Al-4V were shock loaded via flyer-target plate impact using a single-stage light gas gun. Target plates were subjected to pressures just above the spall strength of the material (3-5 GPa) to investigate the early onset of damage nucleation as a function of processing technique and shock orientation with respect to the AM-build direction. Post-mortem characterization of the spall damage and surrounding microstructure was performed using a combination of optical microscopy, scanning electron microscopy, and electron backscatter diffraction.

Physics-Based Modeling of Electric Operation, Heat Transfer, and Scrap Melting in an AC Electric Arc Furnace

NASA Astrophysics Data System (ADS)

Opitz, Florian; Treffinger, Peter

2016-04-01

Electric arc furnaces (EAF) are complex industrial plants whose actual behavior depends upon numerous factors. Due to its energy intensive operation, the EAF process has always been subject to optimization efforts. For these reasons, several models have been proposed in literature to analyze and predict different modes of operation. Most of these models focused on the processes inside the vessel itself. The present paper introduces a dynamic, physics-based model of a complete EAF plant which consists of the four subsystems vessel, electric system, electrode regulation, and off-gas system. Furthermore the solid phase is not treated to be homogenous but a simple spatial discretization is employed. Hence it is possible to simulate the energy input by electric arcs and fossil fuel burners depending on the state of the melting progress. The model is implemented in object-oriented, equation-based language Modelica. The simulation results are compared to literature data.

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

Eicher, Barbara; Marquardt, Drew; Heberle, Frederick A.

We measured the effect of intrinsic lipid curvature, J 0, on structural properties of asymmetric vesicles made of palmitoyl-oleoyl-phosphatidylethanolamine (POPE; J 0 < 0) and palmitoyl-oleoyl-phosphatidylcholine (POPC; J 0 ~ 0). Electron microscopy and dynamic light scattering were used to determine vesicle size and morphology, and x-ray and neutron scattering, combined with calorimetric experiments and solution NMR, yielded insights into leaflet-specific lipid packing and melting processes. Below the lipid melting temperature we observed strong interleaflet coupling in asymmetric vesicles with POPE inner bilayer leaflets and outer leaflets enriched in POPC. This lipid arrangement manifested itself by lipids melting cooperatively inmore » both leaflets, and a rearrangement of lipid packing in both monolayers. On the other hand, no coupling was observed in vesicles with POPC inner bilayer leaflets and outer leaflets enriched in POPE. In this case, the leaflets melted independently and did not affect each other’s acyl chain packing. Furthermore, we found no evidence for transbilayer structural coupling above the melting temperature of either sample preparation. Our results are consistent with the energetically preferred location of POPE residing in the inner leaflet, where it also resides in natural membranes, most likely causing the coupling of both leaflets. The loss of this coupling in the fluid bilayers is most likely the result of entropic contributions.« less

Signatures of two-step impurity mediated vortex lattice melting in Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Dey, Bishwajyoti

2017-04-01

We study impurity mediated vortex lattice melting in a rotating two-dimensional Bose-Einstein condensate (BEC). Impurities are introduced either through a protocol in which vortex lattice is produced in an impurity potential or first creating the vortex lattice in the absence of random pinning and then cranking up the impurity potential. These two protocols have obvious relation with the two commonly known protocols of creating vortex lattice in a type-II superconductor: zero field cooling protocol and the field cooling protocol respectively. Time-splitting Crank-Nicolson method has been used to numerically simulate the vortex lattice dynamics. It is shown that the vortex lattice follows a two-step melting via loss of positional and orientational order. This vortex lattice melting process in BEC closely mimics the recently observed two-step melting of vortex matter in weakly pinned type-II superconductor Co-intercalated NbSe2. Also, using numerical perturbation analysis, we compare between the states obtained in two protocols and show that the vortex lattice states are metastable and more disordered when impurities are introduced after the formation of an ordered vortex lattice. The author would like to thank SERB, Govt. of India and BCUD-SPPU for financial support through research Grants.

Production and recycling of oceanic crust in the early Earth

NASA Astrophysics Data System (ADS)

van Thienen, P.; van den Berg, A. P.; Vlaar, N. J.

2004-08-01

Because of the strongly different conditions in the mantle of the early Earth regarding temperature and viscosity, present-day geodynamics cannot simply be extrapolated back to the early history of the Earth. We use numerical thermochemical convection models including partial melting and a simple mechanism for melt segregation and oceanic crust production to investigate an alternative suite of dynamics which may have been in operation in the early Earth. Our modelling results show three processes that may have played an important role in the production and recycling of oceanic crust: (1) Small-scale ( x×100 km) convection involving the lower crust and shallow upper mantle. Partial melting and thus crustal production takes place in the upwelling limb and delamination of the eclogitic lower crust in the downwelling limb. (2) Large-scale resurfacing events in which (nearly) the complete crust sinks into the (eventually lower) mantle, thereby forming a stable reservoir enriched in incompatible elements in the deep mantle. New crust is simultaneously formed at the surface from segregating melt. (3) Intrusion of lower mantle diapirs with a high excess temperature (about 250 K) into the upper mantle, causing massive melting and crustal growth. This allows for plumes in the Archean upper mantle with a much higher excess temperature than previously expected from theoretical considerations.

Present Permafrost Thaw in Central Yakutia, North-East Siberia: Surficial Geology and Hydrology Evidence

NASA Astrophysics Data System (ADS)

Czerniawska, Jolanta; Chlachula, Jiri

2017-04-01

Current climate change in the high-latitudes of Eurasia is a generally accepted phenomenon characterized by increased annual temperature values and marked weather anomalies observed in the sub-polar and polar regions. In the northern and NE Siberia, this trend of the MAT rise, documented particularly over the last three decades, is believed to account for the territorial lowland as well as insular mountain frozen ground thaw that in turn has triggered ecosystem feedbacks on the local as well as regional scales. In the northern regions of Yakutia, this is principally witnessed by accelerated near-surface dynamics of seasonally activated de-freezing grounds and inter-linked geomorphic and hydrological actions affecting large-scale tundra landscape settings. In the southern and central taiga-forest areas with perennial alpine and continuous permafrost conditions, respectively, an increased depth of the seasonally melted top-soil layers has become evident accompanied by thermokarst lake expansion and ground surface collapsing. Some cryogenic depressions generated from small gullies over the past decades eloquently demonstrate the intensity and scales of the current permafrost degradation in the Siberian North. The fluvial discharge is most dynamic in late spring to mid-summer because of the cumulative effect of snow-melting because of a high solar radiation and short intervals of torrential rains. Yet, the climate-change-dependent and most active geomorphic agent is the accelerated permafrost thaw seen in landslides and tundra-forest cover decay due to a higher water table. Numerous preserved biotic fossiliferous records Pleistocene and early Holocene in age are being exposed in this process providing unique palaeoecology evidence at particular sites. These climate-generated processes have mostly highly negative effects to the natural habitats (migratory animal routes and riverine biota due to an earlier ice-melting) as well as the local settlement communities (infrastructure destruction resulting from the top-ground melt-water saturation, road-base disintegration, slope slumping, drinking water supply, etc.).

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.

Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls.

PubMed

Solar, M; Binder, K; Paul, W

2017-05-28

Molecular dynamics simulations of a chemically realistic model for 1,4-polybutadiene in a thin film geometry confined by two graphite walls are presented. Previous work on melts in the bulk has shown that the model faithfully reproduces static and dynamic properties of the real material over a wide temperature range. The present work studies how these properties change due to nano-confinement. The focus is on orientational correlations observable in nuclear magnetic resonance experiments and on the local intermediate incoherent neutron scattering function, F s (q z , z, t), for distances z from the graphite walls in the range of a few nanometers. Temperatures from about 2T g down to about 1.15T g , where T g is the glass transition temperature in the bulk, are studied. It is shown that weakly attractive forces between the wall atoms and the monomers suffice to effectively bind a polymer coil that is near the wall. For a wide regime of temperatures, the Arrhenius-like adsorption/desorption kinetics of the monomers is the slowest process, while very close to T g the Vogel-Fulcher-Tammann-like α-relaxation takes over. The α-process is modified only for z≤1.2 nm due to the density changes near the walls, less than expected from studies of coarse-grained (bead-spring-type) models. The weakness of the surface effects on the glass transition in this case is attributed to the interplay of density changes near the wall with the torsional potential. A brief discussion of pertinent experiments is given.

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.

Increased future ice discharge from Antarctica owing to higher snowfall

NASA Astrophysics Data System (ADS)

Winkelmann, Ricarda; Levermann, Anders; Martin, Maria A.; Frieler, Katja

2013-04-01

Anthropogenic climate change is likely to cause continuing global sea-level rise, but some processes within the Earth system may mitigate the magnitude of the projected effect. Regional and global climate models simulate enhanced snowfall over Antarctica, which would provide a direct offset of the future contribution to global sea level rise from cryospheric mass loss and ocean expansion. Uncertainties exist in modelled snowfall, but even larger uncertainties exist in the potential changes of dynamic ice discharge from Antarctica. Here we show that snowfall and discharge are not independent, but that future ice discharge will increase by up to three times as a result of additional snowfall under global warming. Our results, based on an ice-sheet model forced by climate simulations through to the end of 2500, show that the enhanced discharge effect exceeds the effect of surface warming as well as that of basal ice-shelf melting, and is due to the difference in surface elevation change caused by snowfall on grounded versus floating ice. Although different underlying forcings drive ice loss from basal melting versus increased snowfall, similar ice dynamical processes are nonetheless at work in both; therefore results are relatively independent of the specific representation of the transition zone. In an ensemble of simulations designed to capture ice-physics uncertainty, the additional dynamic ice loss along the coastline compensates between 30 and 65 per cent of the ice gain due to enhanced snowfall over the entire continent. This results in a dynamic ice loss of up to 1.25 metres in the year 2500 for the strongest warming scenario.

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.

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.

Proceedings of the Second International Colloquium on Drops and Bubbles

NASA Technical Reports Server (NTRS)

Lecroissette, D. H. (Editor)

1982-01-01

Applications of bubble and drop technologies are discussed and include: low gravity manufacturing, containerless melts, microballoon fabrication, ink printers, laser fusion targets, generation of organic glass and metal shells, and space processing. The fluid dynamics of bubbles and drops were examined. Thermomigration, capillary flow, and interfacial tension are discussed. Techniques for drop control are presented and include drop size control and drop shape control.

Determination of crystal growth rates during rapid solidification of polycrystalline aluminum by nano-scale spatio-temporal resolution in situ transmission electron microscopy

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

Zweiacker, K.; McKeown, J. T.; Liu, C.

In situ investigations of rapid solidification in polycrystalline Al thin films were conducted using nano-scale spatio-temporal resolution dynamic transmission electron microscopy. Differences in crystal growth rates and asymmetries in melt pool development were observed as the heat extraction geometry was varied by controlling the proximity of the laser-pulse irradiation and the associated induced melt pools to the edge of the transmission electron microscopy support grid, which acts as a large heat sink. Experimental parameters have been established to maximize the reproducibility of the material response to the laser-pulse-related heating and to ensure that observations of the dynamical behavior of themore » metal are free from artifacts, leading to accurate interpretations and quantifiable measurements with improved precision. Interface migration rate measurements revealed solidification velocities that increased consistently from ~1.3 m s –1 to ~2.5 m s –1 during the rapid solidification process of the Al thin films. Under the influence of an additional large heat sink, increased crystal growth rates as high as 3.3 m s –1 have been measured. The in situ experiments also provided evidence for development of a partially melted, two-phase region prior to the onset of rapid solidification facilitated crystal growth. As a result, using the experimental observations and associated measurements as benchmarks, finite-element modeling based calculations of the melt pool evolution after pulsed laser irradiation have been performed to obtain estimates of the temperature evolution in the thin films.« less

Determination of crystal growth rates during rapid solidification of polycrystalline aluminum by nano-scale spatio-temporal resolution in situ transmission electron microscopy

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

Zweiacker, K., E-mail: Kai@zweiacker.org; Liu, C.; Wiezorek, J. M. K.

In situ investigations of rapid solidification in polycrystalline Al thin films were conducted using nano-scale spatio-temporal resolution dynamic transmission electron microscopy. Differences in crystal growth rates and asymmetries in melt pool development were observed as the heat extraction geometry was varied by controlling the proximity of the laser-pulse irradiation and the associated induced melt pools to the edge of the transmission electron microscopy support grid, which acts as a large heat sink. Experimental parameters have been established to maximize the reproducibility of the material response to the laser-pulse-related heating and to ensure that observations of the dynamical behavior of themore » metal are free from artifacts, leading to accurate interpretations and quantifiable measurements with improved precision. Interface migration rate measurements revealed solidification velocities that increased consistently from ∼1.3 m s{sup −1} to ∼2.5 m s{sup −1} during the rapid solidification process of the Al thin films. Under the influence of an additional large heat sink, increased crystal growth rates as high as 3.3 m s{sup −1} have been measured. The in situ experiments also provided evidence for development of a partially melted, two-phase region prior to the onset of rapid solidification facilitated crystal growth. Using the experimental observations and associated measurements as benchmarks, finite-element modeling based calculations of the melt pool evolution after pulsed laser irradiation have been performed to obtain estimates of the temperature evolution in the thin films.« less

Fibre laser cutting stainless steel: Fluid dynamics and cut front morphology

NASA Astrophysics Data System (ADS)

Pocorni, Jetro; Powell, John; Deichsel, Eckard; Frostevarg, Jan; Kaplan, Alexander F. H.

2017-01-01

In this paper the morphology of the laser cut front generated by fibre lasers was investigated by observation of the 'frozen' cut front, additionally high speed imaging (HSI) was employed to study the fluid dynamics on the cut front while cutting. During laser cutting the morphology and flow properties of the melt film on the cut front affect cut quality parameters such as cut edge roughness and dross (residual melt attached to the bottom of the cut edge). HSI observation of melt flow down a laser cutting front using standard cutting parameters is experimentally problematic because the cut front is narrow and surrounded by the kerf walls. To compensate for this, artificial parameters are usually chosen to obtain wide cut fronts which are unrepresentative of the actual industrial process. This paper presents a new experimental cutting geometry which permits HSI of the laser cut front using standard, commercial parameters. These results suggest that the cut front produced when cutting medium section (10 mm thick) stainless steel with a fibre laser and a nitrogen assist gas is covered in humps which themselves are covered by a thin layer of liquid. HSI observation and theoretical analysis reveal that under these conditions the humps move down the cut front at an average speed of approximately 0.4 m/s while the covering liquid flows at an average speed of approximately 1.1 m/s, with an average melt depth at the bottom of the cut zone of approximately 0.17 mm.

Determination of crystal growth rates during rapid solidification of polycrystalline aluminum by nano-scale spatio-temporal resolution in situ transmission electron microscopy

DOE PAGES

Zweiacker, K.; McKeown, J. T.; Liu, C.; ...

2016-08-04

In situ investigations of rapid solidification in polycrystalline Al thin films were conducted using nano-scale spatio-temporal resolution dynamic transmission electron microscopy. Differences in crystal growth rates and asymmetries in melt pool development were observed as the heat extraction geometry was varied by controlling the proximity of the laser-pulse irradiation and the associated induced melt pools to the edge of the transmission electron microscopy support grid, which acts as a large heat sink. Experimental parameters have been established to maximize the reproducibility of the material response to the laser-pulse-related heating and to ensure that observations of the dynamical behavior of themore » metal are free from artifacts, leading to accurate interpretations and quantifiable measurements with improved precision. Interface migration rate measurements revealed solidification velocities that increased consistently from ~1.3 m s –1 to ~2.5 m s –1 during the rapid solidification process of the Al thin films. Under the influence of an additional large heat sink, increased crystal growth rates as high as 3.3 m s –1 have been measured. The in situ experiments also provided evidence for development of a partially melted, two-phase region prior to the onset of rapid solidification facilitated crystal growth. As a result, using the experimental observations and associated measurements as benchmarks, finite-element modeling based calculations of the melt pool evolution after pulsed laser irradiation have been performed to obtain estimates of the temperature evolution in the thin films.« 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.

Ablation of steel by microsecond pulse trains

NASA Astrophysics Data System (ADS)

Windeler, Matthew Karl Ross

Laser micromachining is an important material processing technique used in industry and medicine to produce parts with high precision. Control of the material removal process is imperative to obtain the desired part with minimal thermal damage to the surrounding material. Longer pulsed lasers, with pulse durations of milli- and microseconds, are used primarily for laser through-cutting and welding. In this work, a two-pulse sequence using microsecond pulse durations is demonstrated to achieve consistent material removal during percussion drilling when the delay between the pulses is properly defined. The light-matter interaction moves from a regime of surface morphology changes to melt and vapour ejection. Inline coherent imaging (ICI), a broadband, spatially-coherent imaging technique, is used to monitor the ablation process. The pulse parameter space is explored and the key regimes are determined. Material removal is observed when the pulse delay is on the order of the pulse duration. ICI is also used to directly observe the ablation process. Melt dynamics are characterized by monitoring surface changes during and after laser processing at several positions in and around the interaction region. Ablation is enhanced when the melt has time to flow back into the hole before the interaction with the second pulse begins. A phenomenological model is developed to understand the relationship between material removal and pulse delay. Based on melt refilling the interaction region, described by logistic growth, and heat loss, described by exponential decay, the model is fit to several datasets. The fit parameters reflect the pulse energies and durations used in the ablation experiments. For pulse durations of 50 us with pulse energies of 7.32 mJ +/- 0.09 mJ, the logisitic growth component of the model reaches half maximum after 8.3 mus +/- 1.1 us and the exponential decays with a rate of 64 mus +/- 15 us. The phenomenological model offers an interpretation of the material removal process.

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.

[Characteristics of mercury exchange flux between soil and atmosphere under the snow retention and snow melting control].

PubMed

Zhang, Gang; Wang, Ning; Ai, Jian-Chao; Zhang, Lei; Yang, Jing; Liu, Zi-Qi

2013-02-01

Jiapigou gold mine, located in the upper Songhua River, was once the largest mine in China due to gold output, where gold extraction with algamation was widely applied to extract gold resulting in severe mercury pollution to ambient environmental medium. In order to study the characteristics of mercury exchange flux between soil (snow) and atmosphere under the snow retention and snow melting control, sampling sites were selected in equal distances along the slope which is situated in the typical hill-valley terrain unit. Mercury exchange flux between soil (snow) and atmosphere was determined with the method of dynamic flux chamber and in all sampling sites the atmosphere concentration from 0 to 150 cm near to the earth in the vertical direction was measured. Furthermore, the impact factors including synchronous meteorology, the surface characteristics under the snow retention and snow melting control and the mercury concentration in vertical direction were also investigated. The results are as follows: During the period of snow retention and melting the air mercury tends to gather towards valley bottom along the slope and an obvious deposit tendency process was found from air to the earth's surface under the control of thermal inversion due to the underlying surface of cold source (snow surface). However, during the period of snow melting, mercury exchange flux between the soil and atmosphere on the surface of the earth with the snow being melted demonstrates alternative deposit and release processes. As for the earth with snow covered, the deposit level of mercury exchange flux between soil and atmosphere is lower than that during the period of snow retention. The relationship between mercury exchange flux and impact factors shows that in snow retention there is a remarkable negative linear correlation between mercury exchange flux and air mercury concentration as well as between the former and the air temperature. In addition, in snow melting mercury exchange flux is remarkably negatively linearly correlated to air mercury concentration and positively linearly correlated to air temperature. Furthermore, there is a general positive linear correlation between mercury exchange flux and soil temperature on the surface of earth after snow melting.

The influence of partial melting and melt migration on the rheology of the continental crust

NASA Astrophysics Data System (ADS)

Cavalcante, Geane Carolina G.; Viegas, Gustavo; Archanjo, Carlos José; da Silva, Marcos Egydio

2016-11-01

The presence of melt during deformation produces a drastic change in the rheological behavior of the continental crust; rock strength is decreased even for melt fractions as low as ∼7%. At pressure/temperature conditions typical of the middle to lower crust, melt-bearing systems may play a critical role in the process of strain localization and in the overall strength of the continental lithosphere. In this contribution we focus on the role and dynamics of melt flow in two different mid-crustal settings formed during the Brasiliano orogeny: (i) a large-scale anatectic layer in an orthogonal collision belt, represented by the Carlos Chagas anatexite in southeastern Brazil, and (ii) a strike-slip setting, in which the Espinho Branco anatexite in the Patos shear zone (northeast Brazil) serves as an analogue. Both settings, located in eastern Brazil, are part of the Neoproterozoic tectonics that resulted in widespread partial melting, shear zone development and the exhumation of middle to lower crustal layers. These layers consist of compositionally heterogeneous anatexites, with variable former melt fractions and leucosome structures. The leucosomes usually form thick interconnected networks of magma that reflect a high melt content (>30%) during deformation. From a comparison of previous work based on detailed petrostructural and AMS studies of the anatexites exposed in these areas, we discuss the rheological implications caused by the accumulation of a large volume of melt ;trapped; in mid-crustal levels, and by the efficient melt extraction along steep shear zones. Our analyses suggest that rocks undergoing partial melting along shear settings exhibit layers with contrasting competence, implying successive periods of weakening and strengthening. In contrast, regions where a large amount of magma accumulates lack clear evidence of competence contrast between layers, indicating that they experienced only one major stage of dramatic strength drop. This comparative analysis also suggests that the middle part of both belts contained large volumes of migmatites, attesting that the orogenic root was partially molten and encompassed more than 30% of granitic melt at the time of deformation.

Diminishing sea ice in the western Arctic Ocean

USGS Publications Warehouse

Stone, R.S.; Belchansky, G.I.; Drobot, Sheldon; Douglas, David C.; Levinson, D.H.; Waple, A.M.

2004-01-01

Since the advent of satellite passive microwave radiometry (1978), variations in sea ice extent and concentration have been carefully monitored from space. An estimated 7.4% decrease in sea ice extent has occurred in the last 25 yr (Johannessen et al. 2004), with recent record minima (e.g., Maslanik et al. 1999; Serreze et al. 2003) accounting for much of the decline. Comparisons between the time series of Arctic sea ice melt dynamics and snowmelt dates at the NOAA–CMDL Barrow Observatory (BRW) reveal intriguing correlations.Melt-onset dates over sea ice (Drobot and Anderson 2001) were cross correlated with the melt-date time series from BRW, and a prominent region of high correlation between snowmelt onset over sea ice and the BRW record of melt dates was approximately aligned with the climatological center of the Beaufort Sea Anticyclone (BSA). The BSA induces anticyclonic ice motion in the region, effectively forcing the Beaufort gyre. A weak gyre caused by a breakdown of the BSA diminishes transport of multiyear ice into this region (Drobot and Maslanik 2003). Similarly, the annual snow cycle at BRW varies with the position and intensity of the BSA (Stone et al. 2002, their Fig. 6). Thus, variations in the BSA appear to have far-reaching effects on the annual accumulation and subsequent melt of snow over a large region of the western Arctic.A dramatic increase in melt season duration (Belchansky et al. 2004) was also observed within the same region of high correlation between onset of melt over the ice pack and snowmelt at BRW (Fig. 5.7). By inference, this suggests linkages between factors that modulate the annual cycle of snow on land and processes that influence melting of snow and ice in the western Arctic Ocean.

[Dynamics of ecological-biochemical characteristics of the sea ice in the coastal zone of the White sea].

PubMed

Mel'nikov, I A; Korneeva, G A; zhitina, L S; Shanin, S S

2003-01-01

The distribution of salinity, silicon and phosphorus contents, and hydrolytic enzyme activities along a sea-coast transect was studied in melted ice cores and water samples taken from under the ice cover in the periods of active ice formation and melting in the Kandalaksha Bay, White Sea. The species list of identified algae was compiled, which included 170 species and varieties (90% of them belonged to diatoms). Strong correlations were revealed between the salinity of water samples and the content of silicon, protease activity, and the species composition of algae. Preliminary estimations of the rate of photosynthetic processes in individual cells of algae belonging to the mass species of the ice flora are discussed.

Molecular scale modeling of polymer imprint nanolithography.

PubMed

Chandross, Michael; Grest, Gary S

2012-01-10

We present the results of large-scale molecular dynamics simulations of two different nanolithographic processes, step-flash imprint lithography (SFIL), and hot embossing. We insert rigid stamps into an entangled bead-spring polymer melt above the glass transition temperature. After equilibration, the polymer is then hardened in one of two ways, depending on the specific process to be modeled. For SFIL, we cross-link the polymer chains by introducing bonds between neighboring beads. To model hot embossing, we instead cool the melt to below the glass transition temperature. We then study the ability of these methods to retain features by removing the stamps, both with a zero-stress removal process in which stamp atoms are instantaneously deleted from the system as well as a more physical process in which the stamp is pulled from the hardened polymer at fixed velocity. We find that it is necessary to coat the stamp with an antifriction coating to achieve clean removal of the stamp. We further find that a high density of cross-links is necessary for good feature retention in the SFIL process. The hot embossing process results in good feature retention at all length scales studied as long as coated, low surface energy stamps are used.

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.

Dynamics of water in LiCl and CaCl 2 aqueous solutions confined in silica matrices: A backscattering neutron spectroscopy study

NASA Astrophysics Data System (ADS)

Mamontov, E.; Cole, D. R.; Dai, S.; Pawel, M. D.; Liang, C. D.; Jenkins, T.; Gasparovic, G.; Kintzel, E.

2008-09-01

Backscattering neutron spectroscopy was used to probe the dynamics of water molecules in LiCl and CaCl 2 aqueous solutions confined in 2.7, 1.9, and 1.4 nm diameter pores of various silica matrices. The pore size of 2.7 nm was found to be sufficiently large for the confined liquids to exhibit characteristic traits of bulk behavior, such as a freezing-melting transition and a phase separation. On the other hand, none of the fluids in the 1.4 nm pores exhibited a clear freezing-melting transition; instead, their dynamics at low temperatures gradually became too slow for the nanosecond resolution of the experiment. The greatest suppression of water mobility was observed in the CaCl 2 solutions, which suggests that cation charge and perhaps the cation hydration environment have a profound influence on the dynamics of the water molecules. Quasielastic neutron scattering measurements of pure H 2O and 1 m LiCl-H 2O solution confined in 1.9 nm pores revealed a dynamic transition in both liquids at practically the same temperature of 225-226 K, even though the dynamics of the solution at room temperature appeared to slow down by more than an order of magnitude compared to the pure water. The observation of the dynamic transition in the solution suggests that this transition may be a universal feature of water governed by processes acting on the local scale, such as a change in the hydrogen bonding.

Dynamic global model of oxide Czochralski process with weighing control

NASA Astrophysics Data System (ADS)

Mamedov, V. M.; Vasiliev, M. G.; Yuferev, V. S.

2011-03-01

A dynamic model of oxide Czochralski growth with weighing control has been developed for the first time. A time-dependent approach is used for the calculation of temperature fields in different parts of a crystallization set-up and convection patterns in a melt, while internal radiation in crystal is considered in a quasi-steady approximation. A special algorithm is developed for the calculation of displacement of a triple point and simulation of a crystal surface formation. To calculate variations in the heat generation, a model of weighing control with a commonly used PID regulator is applied. As an example, simulation of the growth process of gallium-gadolinium garnet (GGG) crystals starting from the stage of seeding is performed.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

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

PubMed

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

2017-12-13

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

Snow multivariable data assimilation for hydrological predictions in Alpine sites

NASA Astrophysics Data System (ADS)

Piazzi, Gaia; Thirel, Guillaume; Campo, Lorenzo; Gabellani, Simone; Stevenin, Hervè

2017-04-01

Snowpack dynamics (snow accumulation and ablation) strongly impacts on hydrological processes in Alpine areas. During the winter season the presence of snow cover (snow accumulation) reduces the drainage in the basin with a resulting lower watershed time of concentration in case of possible rainfall events. Moreover, the release of the significant water volume stored in winter (snowmelt) considerably contributes to the total discharge during the melting period. Therefore when modeling hydrological processes in snow-dominated catchments the quality of predictions deeply depends on how the model succeeds in catching snowpack dynamics. The integration of a hydrological model with a snow module allows improving predictions of river discharges. Besides the well-known modeling limitations (uncertainty in parameterizations; possible errors affecting both meteorological forcing data and initial conditions; approximations in boundary conditions), there are physical factors that make an exhaustive reconstruction of snow dynamics complicated: snow intermittence in space and time, stratification and slow phenomena like metamorphism processes, uncertainty in snowfall evaluation, wind transportation, etc. Data Assimilation (DA) techniques provide an objective methodology to combine several independent snow-related data sources (model simulations, ground-based measurements and remote sensed observations) in order to obtain the most likely estimate of snowpack state. This study presents SMASH (Snow Multidata Assimilation System for Hydrology), a multi-layer snow dynamic model strengthened by a multivariable DA framework for hydrological purposes. The model is physically based on mass and energy balances and can be used to reproduce the main physical processes occurring within the snowpack: accumulation, density dynamics, melting, sublimation, radiative balance, heat and mass exchanges. The model is driven by observed forcing meteorological data (air temperature, wind velocity, relative air humidity, precipitation and incident solar radiation) to provide a complete estimate of snowpack state. The implementation of a DA scheme enables to assimilate simultaneously ground-based observations of different snow-related variables (snow depth, snow density, surface temperature and albedo). SMASH performances are evaluated by using observed data supplied by meteorological stations located in three experimental Alpine sites: Col de Porte (1325 m, France); Torgnon (2160 m, Italy); Weissfluhjoch (2540 m, Switzerland). A comparison analysis between the resulting performaces of Particle Filter and Ensemble Kalman Filter schemes is shown.

Simultaneous measurement of temperature and emissivity of lunar regolith simulant using dual-channel millimeter-wave radiometry.

PubMed

McCloy, J S; Sundaram, S K; Matyas, J; Woskov, P P

2011-05-01

Millimeter wave (MMW) radiometry can be used for simultaneous measurement of emissivity and temperature of materials under extreme environments (high temperature, pressure, and corrosive environments). The state-of-the-art dual channel MMW passive radiometer with active interferometric capabilities at 137 GHz described here allows for radiometric measurements of sample temperature and emissivity up to at least 1600 °C with simultaneous measurement of sample surface dynamics. These capabilities have been used to demonstrate dynamic measurement of melting of powders of simulated lunar regolith and static measurement of emissivity of solid samples. The paper presents the theoretical background and basis for the dual-receiver system, describes the hardware in detail, and demonstrates the data analysis. Post-experiment analysis of emissivity versus temperature allows further extraction from the radiometric data of millimeter wave viewing beam coupling factors, which provide corroboratory evidence to the interferometric data of the process dynamics observed. These results show the promise of the MMW system for extracting quantitative and qualitative process parameters for industrial processes and access to real-time dynamics of materials behavior in extreme environments.

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

Molecular dynamics simulations investigating consecutive nucleation, solidification and grain growth in a twelve-million-atom Fe-system

NASA Astrophysics Data System (ADS)

Okita, Shin; Verestek, Wolfgang; Sakane, Shinji; Takaki, Tomohiro; Ohno, Munekazu; Shibuta, Yasushi

2017-09-01

Continuous processes of homogeneous nucleation, solidification and grain growth are spontaneously achieved from an undercooled iron melt without any phenomenological parameter in the molecular dynamics (MD) simulation with 12 million atoms. The nucleation rate at the critical temperature is directly estimated from the atomistic configuration by cluster analysis to be of the order of 1034 m-3 s-1. Moreover, time evolution of grain size distribution during grain growth is obtained by the combination of Voronoi and cluster analyses. The grain growth exponent is estimated to be around 0.3 from the geometric average of the grain size distribution. Comprehensive understanding of kinetic properties during continuous processes is achieved in the large-scale MD simulation by utilizing the high parallel efficiency of a graphics processing unit (GPU), which is shedding light on the fundamental aspects of production processes of materials from the atomistic viewpoint.

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.

Modeling of Greenland outlet glaciers response to future climate change

NASA Astrophysics Data System (ADS)

Beckmann, J.

2017-12-01

Over the past two decades net mass loss from the Greenland ice sheet (GIS) quadrupled, resulting in 25% of the global mean sea level (GMSL) rise. Increased mass loss of the GIS is caused by enhanced surface melting and speedup of the marine-terminating outlet glaciers. This speedup has been related, among other factors, to enhanced submarine melting, which in turn is caused by warming of the surrounding ocean and by increased subglacial, meltwater discharge. Yet, ice-ocean processes are not properly represented in contemporary Greenland Ice Sheet models used to project future changes in the GIS. In this work, we performed numerical experiments with a one-dimensional plume model coupled to a one-dimensional (depth- and width- integrated) ice flow model for several representative outlet glaciers in Greenland. We investigate the dynamic response of the coupled ice-flow plume model to scenarios of future climate change. In particular, we examine the transient response of the outlet glaciers to projected changes in surface melting, ocean temperature and subglacial discharge. With our modeling approach we quantify the amount of the surface and submarine melting and the resulting retreat and mass loss for each individual glacier for the next 100 years.

Effect of stress nonhomogeneity on the shear melting of a thin boundary lubrication layer.

PubMed

Lyashenko, Iakov A; Filippov, Alexander E; Popov, Mikhail; Popov, Valentin L

2016-11-01

We consider the dynamical properties of boundary lubrication in contact between two atomically smooth solid surfaces separated by an ultrathin layer of lubricant. In contrast to previous works on this topic, we explicitly consider the heterogeneity of tangential stresses, which arises in a contact of elastic bodies that are moved tangentially relative to each other. To describe phase transitions between structural states of the lubricant we use an approach based on the field theory of phase transitions. It is assumed that the lubricant layer, when stressed, can undergo a shear-melting transition of first or second order. While solutions for the homogeneous system can be easily obtained analytically, the kinetics of the phase transitions in the spatially heterogeneous system can only be studied numerically. In our numerical experiments melting of the lubricant layer starts from the outer boundary of contact and propagates to its center. The melting wave is followed by a wave of solidification. This process repeats itself periodically, following the stick-slip pattern that is characteristic of such systems. Depending on the thermodynamic and kinetic parameters of the model, different modes of sliding with almost complete or only partial intermediate solidification are possible.

Multiscale Behavior of Viscous Fluids Dynamics: Experimental Observations

NASA Astrophysics Data System (ADS)

Arciniega-Ceballos, Alejandra; Spina, Laura; Scheu, Bettina; Dingwell, Donald B.

2016-04-01

The dynamics of Newtonian fluids with viscosities of mafic to intermediate silicate melts (10-1000 Pa s) during slow decompression present multi-time scale processes. To observe these processes we have performed several experiments on silicon oil saturated with Argon gas for 72 hours, in a Plexiglas autoclave. The slow decompression, dropping from 10 MPa to ambient pressure, acting as the excitation mechanism, triggered several processes with their own distinct timescales. These processes generate complex non-stationary microseismic signals, which have been recorded with 7 high-dynamic piezoelectric sensors located along the conduit flanked by high-speed video recordings. The analysis in time and frequency of these time series and their correlation with the associated high-speed imaging enables the characterization of distinct phases and the extraction of the individual processes during the evolution of decompression of these viscous fluids. We have observed fluid-solid elastic interaction, degassing, fluid mass expansion and flow, bubble nucleation, growth, coalescence and collapse, foam building and vertical wagging. All these processes (in fine and coarse scales) are sequentially coupled in time, occur within specific pressure intervals, and exhibit a localized distribution along the conduit. Their coexistence and interactions constitute the stress field and driving forces that determine the dynamics of the conduit system. Our observations point to the great potential of this experimental approach in the understanding of volcanic conduit dynamics and volcanic seismicity.

MEA/A-1 experiment 81F01 conducted on STS-7 flight, June 1983. Containerless processing of glass forming melts

NASA Technical Reports Server (NTRS)

Day, D. E.; Ray, C. S.

1983-01-01

The space processing of containerless, glassforming melts on board the space shuttle flight STS-7 is investigated. Objectives include; (1) obtain quantitative evidence for the supression of heterogeneous nucleation/crystallization, (2) study melt homogenization without gravity driven convection, (3) procedural development for bubble free, high purity homogeneous melts inmicro-g, (4) comparative analysis of melts on Earth and in micro g, and (5) assess the apparatus for processing multicomponent, glass forming melts in a low gravity environment.

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.

Atomic concentration effect on thermal properties during solidification of Pt-Rh alloy: A molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Yildiz, A. K.; Celik, F. A.

2017-04-01

The solidification process of Platinum-Rhodium alloy from liquid phase to solid state is investigated at the nano-scale by using Molecular Dynamics Simulation (MDS) for different atomic concentration ratios of Pt. The critical nucleus radius, the bond order parameter, interfacial free energies and total energy based on nucleation theory of the alloy are examined with respect to the temperature changes. The heat of fusion from high temperatures to low temperatures during solidification of the alloy system is determined from molecular dynamics simulation. The structural development is determined from the radial distribution function. It is observed from the results that the melting point of the alloy system decreases with increasing concentration of Pt and that variation of Pt ratio in the alloy shows a remarkable effect on solidification to understand the cooling process of thermal effects.

In-situ observations of bubble growth in basaltic, andesitic and rhyodacitic melts

NASA Astrophysics Data System (ADS)

Masotta, M.; Ni, H.; Keppler, H.

2013-12-01

Bubble growth strongly affects the physical properties of degassing magmas and their eruption dynamics. Natural samples and products from quench experiments provide only a snapshot of the final state of volatile exsolution, leaving the processes occurring during its early stages unconstrained. In order to fill this gap, we present in-situ high-temperature observations of bubble growth in magmas of different compositions (basalt, andesite and rhyodacite) at 1100 to 1240 °C and 1 bar, obtained using a moissanite cell apparatus. The data show that nucleation occurs at very small degrees of supersaturaturation (<20 MPa in basalt and andesite, ca. 100 MPa in rhyodacite), probably due to heterogeneous nucleation of bubbles occurring simultaneously with the nucleation of crystals. During the early stages of exsolution, melt degassing is the driving mechanism of bubble growth, with coalescence becoming increasingly important as exsolution progresses. Ostwald ripening occurs only at the end of the process and only in basaltic melt. The average bubble growth rate (GR) ranges from 3.4*10-6 to 5.2*10-7 mm/s, with basalt and andesite showing faster growth rates than rhyodacite. The bubble number density (NB) at nucleation ranges from 1.8*108 to 7.9*107 cm-3 and decreases exponentially over time. While the rhyodacite melt maintained a well-sorted bubble-size distribution (BSD) through time, the BSD's of basalt and andesite are much more inhomogeneous. Our experimental observations demonstrate that bubble growth cannot be ascribed to a single mechanism but is rather a combination of many processes, which depend on the physical properties of the melt. Depending on coalescence rate, annealing of bubbles following a single nucleation event can produce complex bubble size distributions. In natural samples, such BSD's may be misinterpreted as resulting from several separate nucleation events. Incipient crystallization upon cooling of a magma may allow bubble nucleation already at very small degrees of supersaturation and could therefore be an important trigger for volatile release and explosive eruptions.

Volcanoes of the passive margin: The youngest magmatic event in eastern North America

USGS Publications Warehouse

Mazza, Sarah E; Gazel, Esteban; Johnson, Elizabeth A; Kunk, Michael J.; McAleer, Ryan J.; Spotila, James A; Bizimis, Michael; Coleman, Drew S

2014-01-01

The rifted eastern North American margin (ENAM) provides important clues to the long-term evolution of continental margins. An Eocene volcanic swarm exposed in the Appalachian Valley and Ridge Province of Virginia and West Virginia (USA) contains the youngest known igneous rocks in the ENAM. These magmas provide the only window into the most recent deep processes contributing to the postrift evolution of this margin. Here we present new 40Ar/39Ar ages, geochemical data, and radiogenic isotopes that constrain the melting conditions and the timing of emplacement. Modeling of the melting conditions on primitive basalts yielded an average temperature and pressure of 1412 ± 25 °C and 2.32 ± 0.31 GPa, corresponding to a mantle potential temperature of ∼1410 °C, suggesting melting conditions slightly higher than average mantle temperatures beneath mid-ocean ridges. When compared with magmas from Atlantic hotspots, the Eocene ENAM samples share isotopic signatures with the Azores and Cape Verde. This similarity suggests the possibility of a large-scale dissemination of similar sources in the upper mantle left over from the opening of the Atlantic Ocean. Asthenosphere upwelling related to localized lithospheric delamination is a possible process that can explain the intraplate signature of these magmas that lack evidence of a thermal anomaly. This process can also explain the Cenozoic dynamic topography and evidence of rejuvenation of the central Appalachians.

Understanding the Yellowstone magmatic system using 3D geodynamic inverse models

NASA Astrophysics Data System (ADS)

Kaus, B. J. P.; Reuber, G. S.; Popov, A.; Baumann, T.

2017-12-01

The Yellowstone magmatic system is one of the largest magmatic systems on Earth. Recent seismic tomography suggest that two distinct magma chambers exist: a shallow, presumably felsic chamber and a deeper much larger, partially molten, chamber above the Moho. Why melt stalls at different depth levels above the Yellowstone plume, whereas dikes cross-cut the whole lithosphere in the nearby Snake River Plane is unclear. Partly this is caused by our incomplete understanding of lithospheric scale melt ascent processes from the upper mantle to the shallow crust, which requires better constraints on the mechanics and material properties of the lithosphere.Here, we employ lithospheric-scale 2D and 3D geodynamic models adapted to Yellowstone to better understand magmatic processes in active arcs. The models have a number of (uncertain) input parameters such as the temperature and viscosity structure of the lithosphere, geometry and melt fraction of the magmatic system, while the melt content and rock densities are obtained by consistent thermodynamic modelling of whole rock data of the Yellowstone stratigraphy. As all of these parameters affect the dynamics of the lithosphere, we use the simulations to derive testable model predictions such as gravity anomalies, surface deformation rates and lithospheric stresses and compare them with observations. We incorporated it within an inversion method and perform 3D geodynamic inverse models of the Yellowstone magmatic system. An adjoint based method is used to derive the key model parameters and the factors that affect the stress field around the Yellowstone plume, locations of enhanced diking and melt accumulations. Results suggest that the plume and the magma chambers are connected with each other and that magma chamber overpressure is required to explain the surface displacement in phases of high activity above the Yellowstone magmatic system.

The static structure and dynamics of cadmium sulfide nanoparticles within poly(styrene- block-isoprene) diblock copolymer melts

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

Jang, Woo -Sik; Koo, Peter; Bryson, Kyle

Here, the static structure and dynamic behavior of cadmium sulfide nanoparticles suspended in block copolymer matrix are investigated using transmission electron microscopy, small-angle X-ray scattering, and X-ray photon correlation spectroscopy. The transmission electron micro- scopy study shows that cadmium sulfide nanoparticles are preferentially segregated within the polyisoprene domain of a poly(styrene- block-isoprene) diblock copolymer. For the dynamics study, X-ray photon correlation spectroscopy captures the relaxation process of cadmium sulfide nanoparticles. The measured characteristic relaxation time reveals that the observed dynamics are hyperdiffusive. The characteristic velocity and corresponding activation energy, which are hallmarks of a hyperdiffusive system, are determined from themore » relationship between the characteristic relaxation time and the wavevector.« less

The static structure and dynamics of cadmium sulfide nanoparticles within poly(styrene- block-isoprene) diblock copolymer melts

DOE PAGES

Jang, Woo -Sik; Koo, Peter; Bryson, Kyle; ...

2015-12-20

Here, the static structure and dynamic behavior of cadmium sulfide nanoparticles suspended in block copolymer matrix are investigated using transmission electron microscopy, small-angle X-ray scattering, and X-ray photon correlation spectroscopy. The transmission electron micro- scopy study shows that cadmium sulfide nanoparticles are preferentially segregated within the polyisoprene domain of a poly(styrene- block-isoprene) diblock copolymer. For the dynamics study, X-ray photon correlation spectroscopy captures the relaxation process of cadmium sulfide nanoparticles. The measured characteristic relaxation time reveals that the observed dynamics are hyperdiffusive. The characteristic velocity and corresponding activation energy, which are hallmarks of a hyperdiffusive system, are determined from themore » relationship between the characteristic relaxation time and the wavevector.« less

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

Molecular View of CO2 Capture by Polyethylenimine: Role of Structural and Dynamical Heterogeneity.

PubMed

Sharma, Pragati; Chakrabarty, Suman; Roy, Sudip; Kumar, Rajnish

2018-05-01

The molecular thermodynamics and kinetics of CO 2 sorption in Polyethylenimine (PEI) melt have been investigated systematically using GCMC and MD simulations. We elucidate presence of significant structural and dynamic heterogeneity associated with the overall absorption process. CO 2 adsorption in a PEI membrane shows a distinct two-stage process of a rapid CO 2 adsorption at the interfaces (hundreds of picoseconds) followed by a significantly slower diffusion limited release toward the interior bulk regions of PEI melt (hundreds of nanoseconds to microseconds). The spatial heterogeneity of local structural features of the PEI chains lead to significantly heterogeneous absorption characterized by clustering and trapping of CO 2 molecules that then lead to subdiffusive motion of CO 2 . In the complex interplay of interaction and entropy, the latter emerges out to be the major determining factor with significantly higher solubility of CO 2 near the interfaces despite having lower density of binding amine groups. Regions having higher free-volume (entropically favorable) viz. interfaces, pores and loops demonstrate higher CO 2 capture ability. Various local structural features of PEI conformations, for example, inter- and intrachain loops, pores of different radii, and di- or tricoordinated pores are explored for their effects on the varying CO 2 adsorption abilities.

Experimental Observations of Multiscale Dynamics of Viscous Fluid Behavior: Implications in Volcanic Systems

NASA Astrophysics Data System (ADS)

Arciniega-Ceballos, A.; Spina, L.; Scheu, B.; Dingwell, D. B.

2015-12-01

We have investigated the dynamics of Newtonian fluids with viscosities (10-1000 Pa s; corresponding to mafic to intermediate silicate melts) during slow decompression, in a Plexiglas shock tube. As an analogue fluid we used silicon oil saturated with Argon gas for 72 hours. Slow decompression, dropping from 10 MPa to ambient pressure, acts as the excitation mechanism, initiating several processes with their own distinct timescales. The evolution of this multi-timescale phenomenon generates complex non-stationary microseismic signals, which have been recorded with 7 high-dynamic piezoelectric sensors located along the conduit. Correlation analysis of these time series with the associated high-speed imaging enables characterization of distinct phases of the dynamics of these viscous fluids and the extraction of the time and the frequency characteristics of the individual processes. We have identified fluid-solid elastic interaction, degassing, fluid mass expansion and flow, bubble nucleation, growth, coalescence and collapse, foam building and vertical wagging. All these processes (in fine and coarse scales) are sequentially coupled in time, occur within specific pressure intervals, and exhibit a localized distribution in space. Their coexistence and interactions constitute the stress field and driving forces that determine the dynamics of the system. Our observations point to the great potential of this experimental approach in the understanding of volcanic processes and volcanic seismicity.

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.

Numerical modeling of continental lithospheric weak zone over plume

NASA Astrophysics Data System (ADS)

Perepechko, Y. V.; Sorokin, K. E.

2011-12-01

The work is devoted to the development of magmatic systems in the continental lithosphere over diffluent mantle plumes. The areas of tension originating over them are accompanied by appearance of fault zones, and the formation of permeable channels, which are distributed magmatic melts. The numerical simulation of the dynamics of deformation fields in the lithosphere due to convection currents in the upper mantle, and the formation of weakened zones that extend up to the upper crust and create the necessary conditions for the formation of intermediate magma chambers has been carried out. Thermodynamically consistent non-isothermal model simulates the processes of heat and mass transfer of a wide class of magmatic systems, as well as the process of strain localization in the lithosphere and their influence on the formation of high permeability zones in the lower crust. The substance of the lithosphere is a rheologic heterophase medium, which is described by a two-velocity hydrodynamics. This makes it possible to take into account the process of penetration of the melt from the asthenosphere into the weakened zone. The energy dissipation occurs mainly due to interfacial friction and inelastic relaxation of shear stresses. The results of calculation reveal a nonlinear process of the formation of porous channels and demonstrate the diversity of emerging dissipative structures which are determined by properties of both heterogeneous lithosphere and overlying crust. Mutual effect of a permeable channel and the corresponding filtration process of the melt on the mantle convection and the dynamics of the asthenosphere have been studied. The formation of dissipative structures in heterogeneous lithosphere above mantle plumes occurs in accordance with the following scenario: initially, the elastic behavior of heterophase lithosphere leads to the formation of the narrow weakened zone, though sufficiently extensive, with higher porosity. Further, the increase in the width of the weakened area with a small decrease in porosity occurs due to the increase of inelastic stresses. The longitudinal scale of the structure remain unchanged. The evolution of intraplate magmatic systems associated with weakened zones is accompanied by the formation of intermediate intracrustal magma chambers. This work was financially supported by the project #24.1.2, the program of RAS #24.

PULSE: A numerical model for the simulation of snowpack solute dynamics to capture runoff ionic pulses during snowmelt

NASA Astrophysics Data System (ADS)

Costa, D.; Pomeroy, J. W.; Wheater, H. S.

2017-12-01

Early ionic pulses in spring snowmelt can cause the temporary acidification of streams and account for a significant portion of the total annual nutrient export, particularly in seasonally snow-covered areas where the frozen ground may limit runoff-soil contact and cause the rapid delivery of these ions to streams. Ionic pulses are a consequence of snow ion exclusion, a process induced by snow metamorphism where ions are segregated from the snow grains losing mass to the surface of the grains gaining mass. While numerous studies have been successful in providing quantitative evidence of this process, few mechanistic mathematical models have been proposed for diagnostic and prediction. A few early modelling attempts have been successful in capturing this process assuming transport through porous media with variable porosity, however their implementation is difficult because they require complex models of snow physics to resolve the evolution of in-snow properties and processes during snowmelt, such as heat conduction, metamorphism, melt and water flow. Furthermore, initial snowpack to snow-surface ion concentration ratios are difficult to measure but are required to initiate these models and ion exclusion processes are not represented in a physically-based transparent fashion. In this research, a standalone numerical model has been developed to capture ionic pulses in snowmelt by emulating solute leaching from snow grains during melt and its subsequent transport by the percolating meltwater. Estimating snow porosity and water content dynamics is shown to be a viable alternative to deployment of complex snow physics models for this purpose. The model was applied to four study sites located in the Arctic and in Sierra Nevada to test for different climatic and hydrological conditions. The model compares very well with observations and could capture both the timing and magnitude of early melt ionic pulses accurately. This study demonstrates how physically based approaches can provide successful simulations of the spatial and temporal fluxes of snowmelt ions, which can be used to improve the prediction of nutrient export in cold regions for the spring freshet.

PULSE: A numerical model for the simulation of snowpack solute dynamics to capture runoff ionic pulses during snowmelt

NASA Astrophysics Data System (ADS)

Clark, M. P.; Nijssen, B.; Lundquist, J. D.; Luce, C. H.; Musselman, K. N.; Wayand, N. E.; Ou, M.; Lapo, K. E.

2016-12-01

Early ionic pulses in spring snowmelt can cause the temporary acidification of streams and account for a significant portion of the total annual nutrient export, particularly in seasonally snow-covered areas where the frozen ground may limit runoff-soil contact and cause the rapid delivery of these ions to streams. Ionic pulses are a consequence of snow ion exclusion, a process induced by snow metamorphism where ions are segregated from the snow grains losing mass to the surface of the grains gaining mass. While numerous studies have been successful in providing quantitative evidence of this process, few mechanistic mathematical models have been proposed for diagnostic and prediction. A few early modelling attempts have been successful in capturing this process assuming transport through porous media with variable porosity, however their implementation is difficult because they require complex models of snow physics to resolve the evolution of in-snow properties and processes during snowmelt, such as heat conduction, metamorphism, melt and water flow. Furthermore, initial snowpack to snow-surface ion concentration ratios are difficult to measure but are required to initiate these models and ion exclusion processes are not represented in a physically-based transparent fashion. In this research, a standalone numerical model has been developed to capture ionic pulses in snowmelt by emulating solute leaching from snow grains during melt and its subsequent transport by the percolating meltwater. Estimating snow porosity and water content dynamics is shown to be a viable alternative to deployment of complex snow physics models for this purpose. The model was applied to four study sites located in the Arctic and in Sierra Nevada to test for different climatic and hydrological conditions. The model compares very well with observations and could capture both the timing and magnitude of early melt ionic pulses accurately. This study demonstrates how physically based approaches can provide successful simulations of the spatial and temporal fluxes of snowmelt ions, which can be used to improve the prediction of nutrient export in cold regions for the spring freshet.

Effect of en-glacial water on ice sheet temperatures in a warming climate - a model approach

NASA Astrophysics Data System (ADS)

Phillips, T. P.; Rajaram, H.; Steffen, K.

2009-12-01

Each summer, significant amount of melt is generated in the ablation zones of large glaciers and ice sheets. This melt does not run off on the surface of the glacier or ice sheet. In fact a significant fraction enters the glacier and flows through en-glacial and sub-glacial hydrologic systems. Correspondingly, the en-glacial and sub-glacial hydrologic systems are brought to a temperature close to the pressure melting point of ice. The thermal influence of these hydrologic processes is seldom incorporated in heat transfer models for glaciers and ice sheets. In a warming climate, as melt water generation is amplified, en-glacial and sub-glacial hydrologic processes can influence the thermal dynamics of an ice sheet significantly, a feedback which is missed in current models. Although the role of refreezing melt water in the firn of the accumulation zone is often accounted for to explain warmer near-surface temperatures, the role of melt water flow within a glacier is not considered in large ice sheet models. We propose a simple parameterization of the influence of en-glacial and sub-glacial hydrology on the thermal dynamics of ice sheets, in the form of a dual-column model. Our model basically modifies the classical Budd column model for temperature variations in ice sheets by introducing an interaction with an en-glacial column, where the temperature is brought to the melting point during the melt season, and winter-time refreezing is influenced by latent heat effects associated with water retained within the en-glacial and sub-glacial systems. A cryo-hydraulic heat exchange coefficient ς is defined, as a parameter that quantifies this interaction. The parameter ς is related to k/R^2, where R is the characteristic spacing between en-glacial passages. The general behavior of the dual-column model is influenced by the competition between cooling by horizontal advection and warming by cryo-hydraulic exchange. We present a dimensionless parameter to quantify this competition. Model simulations indicate that the combination of en-glacial water flow and winter snow cover can warm the ice and produce a higher steady state en-glacial temperature. Transient simulations indicate a spin-up period of approximately 10 years until the new steady state is attained. The en-glacially trapped water prevents the ice from cooling as the Arctic winter approaches. As the water refreezes in the shallow ice, the snow cover reaches a thickness that insulates the ice and slows further cooling. The en-glacial temperature is highly dependent on the magnitude of the cryo-hydraulic term (warming) and the magnitude of the horizontal advection term (cooling) which control the newly reached balance. The dual-column model was applied to analyze deep borehole temperature profiles from five sites on Dead Glacier in western Greenland north of Jakobshavn Glacier. The model was able to explain some features of the borehole temperatures that cannot be explained by the conventional single column model.

Temperature and Time Constraints on Dissolution, Fe-Mg Exchange and Zoning between Relict Forsterite and Chondrule Melt - Implications for Thermal History of Chondrules

NASA Astrophysics Data System (ADS)

Ustunisik, G. K.; Ebel, D. S. S.; Walker, D.

2016-12-01

The chemical and textural characteristics of different generations of relict olivine grains in chondrules record the fact that chondrules were re-melted. Mineral dissolution, Fe-Mg exchange, and zoning within the relict crystals constrain the T-t aspects of this re-melting process. Here, we performed isothermal and dynamic cooling experiments at LDEO of Columbia University. For each run, a cubic crystal of known dimensions of Mogok forsterite (Fo99) was placed in synthetic Type IIA chondrule mesostasis with 4.92 wt% FeO (TLiq 1315ºC). Pressed pellets of this mixture were hung on Pt-wire loops and inserted in vertical Deltech furnace where CO-CO2 gas mixtures kept fO2 IW-1. For isothermal experiments, each charge was heated to 1428ºC, 1350ºC, 1250ºC, and 1150ºC and was held there from 20 mins to several days (>3 days) before drop-quenching into cold water. The dynamic crystallization experiments were held at 1428ºC for 20 mins, cooled at rates of 75ºC, 722ºC, and 1444ºC/hr to 1000ºC and then water quenched. X-ray-CT and EMPA at AMNH were used to image the partially resorbed/zoned olivines in 3-D before and after each run to observe textural evolution of the crystal shapes and volumes and to determine chemical changes. The isothermal experiments at 1150 and 1250ºC for 20 mins, produced no bulk FeO diffusion into the Mogok forsterite. Very minor Fe-Mg exchange at the crystal rims gives slight MgO zoning within the nearby melt. With increasing duration (1 hr and 22 hrs), at 1250ºC, embayments of melt form into the rims of the crystal (amplified at 22 hrs) with significant Fe-Mg exchange. FeO content of Mogok increased with major MgO zonation within nearby melt. At 1150ºC, the same increase in FeO in Mogok and zonation in nearby glass could only be achieved in >3 days experiment. At high Ts (1428ºC) in 20 min run, 75 volume % of Mogok forsterite has been dissolved into the melt. Resorption erodes the Fe-Mg exchange at the rims of the crystal. At longer duration experiments (1250ºC, 22 hrs and 1150ºC, >3days) quench olivine crystals and silica (cristobalite) have been observed within the melt along with low-Ca pyroxene along the edges of the Mogok forsterite. The metastable pyroxene acts as a protective cover thwarting Fe-Mg exchange between Mogok and Fe-bearing melt. The cristobalite occurred as a result of melt fractionation.

Modelling the response of a Himalayan watershed to climate change: new insights from linking high resolution in-situ data and remote sensing with an advanced simulation model

NASA Astrophysics Data System (ADS)

Ragettli, S.; Pellicciotti, F.; Immerzeel, W.

2014-12-01

In high-elevation watersheds of the Himalayan region the correct representation of the internal states and process dynamics in glacio-hydrological models can often not be verified due to missing in-situ measurements. The aim of this study is to provide a fundamental understanding of the hydrology of a Himalayan watershed through the systematic integration of in-situ data in a glacio-hydrological model. We use ground data from the upper Langtang valley in Nepal combined with high resolution satellite data to understand specific processes and test the application of new model components specifically developed. We apply a new model for ablation under debris that takes into account the varying effect of debris thickness on melt rates. A novel approach is tested to reconstruct spatial fields of debris thickness through combination of energy balance modelling, UAV-derived geodetic mass balance and statistical techniques. The systematic integration of in-situ data for model calibration enables the application of a state-of-the art model with many parameters to model glacier evolution and catchment runoff in spite of the lack of continuous long-term historical records. It allows drawing conclusions on the importance of processes that have been suggested as being relevant but never quantified before. The simulations show that 8.7% of total water inputs originate from sub-debris ice melt. 4.5% originate from melted avalanched snow. These components can be locally much more important, since the spatial variability of processes within the valley is high. The model is then used to simulate the response of the catchment to climate change. We show that climate warming leads to an increase in future icemelt and a peak in glacier runoff by mid-century. The increase in total icemelt is due to higher melt rates and large areas that are currently located above the equilibrium line altitude additionally that will contribute to melt. Catchment runoff will not reach below current levels throughout the 21st century due to precipitation increases. Debris covered glacier area will disappear at a slower pace than non-debris covered area. Still, due to the relative climate insensitivity of melt rates below thick debris, the contribution of sub-debris icemelt to runoff will not exceed 10% at all times.

Geochemistry of Peralkaline Melts at Kone Volcanic Complex, Main Ethiopian Rift

NASA Astrophysics Data System (ADS)

Iddon, F. E.; Edmonds, M.; Jackson, C.; Hutchison, W.; Mather, T. A.; Fontijn, K.; Pyle, D. M.

2016-12-01

The East Africa rift system (EARS) is the archetypal example of continental rifting, with the Main Ethiopian rift (MER) segment offering a unique opportunity to examine the dynamics of peralkaline magmas; the development of central volcanoes; melt distribution and transport in the crust; the volatile budgets of rift magmas and their implications for the formation of ore deposits. The alkali- and halogen-rich magmas of the MER differ from their calc-alkaline counterparts in other settings due to their lower viscosities and higher volatile contents, which have important implications for magma transport, reservoir dynamics and eruptive hazards. The high halogen contents of the magmas give rise to halogen-rich vapor which has the capacity to transport and concentrate metals and REE. The Kone Volcanic complex is one of the lesser studied Quaternary peralkaline centres, located on the axial portion of the MER. It comprises two superimposed calderas, surrounded by ignimbrite deposits and unwelded felsic pyroclastic material, small basaltic vents and rhyolitic domes. Unusually for the central volcanoes of the MER, the caldera has refilled with basaltic lava, not pyroclastic material. We use whole rock and micro-analysis to characterize a range of Kone tephras, glasses, crystal phases and melt inclusions in terms of major, trace and volatile element abundances, alongside detailed textural analysis using QEMSCAN and SEM. The whole rock geochemistry reflects the clear peralkaline nature of the suite, with a distinct compositional gap between 50 wt% and 65 wt% SiO2, controlled largely by fractional crystallization. Trace element systematics illustrate that trachytes entrain alkali feldspars, with the crystal cargo of the entire suite reflecting the structure of the magma reservoir at depth, with liquid-rich lenses and regions of syenitic mush. Melt inclusion geochemistry allows reconstruction of complex, multiphase differentiation processes and the exsolution of both a vapor phase and a brine, allowing the fluid-melt partitioning behaviour of halogens and metals to be reconstructed.

Magmatism and Dynamic Topography of Libya and Tibesti, North Africa

NASA Astrophysics Data System (ADS)

Ball, P.; White, N. J.; Maclennan, J.; Stuart, F. M.

2016-12-01

In the continents, dynamic topography is difficult to determine because the density structure of the lithosphere is poorly known. It is generally agreed that hot upwelling mantle produces dynamic uplift whilst cold downwelling mantle causes regional subsidence. Calculating asthenospheric potential temperatures from basalts provides one important constraint on dynamic uplift at the present day and in the geologic record. The spatial and temporal distribution of eruptive products together with the compositional variation of lavas allows the origin of continental volcanic events to be interpreted. The Cenozoic Libyan volcanic field is characterized by a series of long wavelength topographic swells that may reflect sub-lithospheric dynamic processes. Admittance analysis of gravity and topographic data as well as seismic tomographic imaging suggest that a low density anomaly sits beneath the lithospheric plate. A new regional basaltic database of 188 XRF and ICP-MS analyses together with 39 40Ar-39Ar dates has been assembled. The Libyan volcanic field has been active from at least 17 Ma until the present day. Inverse modeling of rare earth elemental distributions shows that Libyan basalts were generated by melting of a predominantly anhydrous mixed peridotitic mantle source with an asthenospheric potential temperature of 1400 oC. Our results suggest that the existence and distribution of volcanism is caused by the combination of warm, upwelling asthenospheric mantle and thinner (< 100 km) lithosphere beneath Libya whereby melts may ascend to the surface through metasomatized lithospheric channels.

Conceptualisation of Snowpack Isotope Dynamics in Spatially Distributed Tracer-Aided Runoff Models in Snow Influenced Northern Cathments

NASA Astrophysics Data System (ADS)

Ala-aho, P. O. A.; Tetzlaff, D.; Laudon, H.; McNamara, J. P.; Soulsby, C.

2016-12-01

We use the Spatially distributed Tracer-Aided Rainfall-Runoff (STARR) modelling framework to explore non-stationary flow and isotope response in three northern headwater catchments. The model simulates dynamic, spatially variable tracer concentration in different water stores and fluxes within a catchment, which can constrain internal catchment mixing processes, flow paths and associated water ages. To date, a major limitation in using such models in snow-dominated catchments has been the difficulties in paramaterising the isotopic transformations in snowpack accumulation and melt. We use high quality long term datasets for hydrometrics and stable water isotopes collected in three northern study catchments for model calibration and testing. The three catchments exhibit different hydroclimatic conditions, soil and vegetation types, and topographic relief, which brings about variable degree of snow dominance across the catchments. To account for the snow influence we develop novel formulations to estimate the isotope evolution in the snowpack and melt. Algorithms for the isotopic evolution parameterize an isotopic offset between snow evaporation and melt fluxes and the remaining snow storage. The model for each catchment is calibrated to match both streamflow and tracer concentration at the stream outlet to ensure internal consistency of the system behaviour. The model is able to reproduce the streamflow along with the spatio-temporal differences in tracer concentrations across the three studies catchments reasonably well. Incorporating the spatially distributed snowmelt processes and associated isotope transformations proved essential in capturing the stream tracer reponse for strongly snow-influenced cathments. This provides a transferrable tool which can be used to understand spatio-temporal variability of mixing and water ages for different storages and flow paths in other snow influenced, environments.

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

Poly(ether ester) Ionomers as Water-Soluble Polymers for Material Extrusion Additive Manufacturing Processes.

PubMed

Pekkanen, Allison M; Zawaski, Callie; Stevenson, André T; Dickerman, Ross; Whittington, Abby R; Williams, Christopher B; Long, Timothy E

2017-04-12

Water-soluble polymers as sacrificial supports for additive manufacturing (AM) facilitate complex features in printed objects. Few water-soluble polymers beyond poly(vinyl alcohol) enable material extrusion AM. In this work, charged poly(ether ester)s with tailored rheological and mechanical properties serve as novel materials for extrusion-based AM at low temperatures. Melt transesterification of poly(ethylene glycol) (PEG, 8k) and dimethyl 5-sulfoisophthalate afforded poly(ether ester)s of sufficient molecular weight to impart mechanical integrity. Quantitative ion exchange provided a library of poly(ether ester)s with varying counterions, including both monovalent and divalent cations. Dynamic mechanical and tensile analysis revealed an insignificant difference in mechanical properties for these polymers below the melting temperature, suggesting an insignificant change in final part properties. Rheological analysis, however, revealed the advantageous effect of divalent countercations (Ca 2+ , Mg 2+ , and Zn 2+ ) in the melt state and exhibited an increase in viscosity of two orders of magnitude. Furthermore, time-temperature superposition identified an elevation in modulus, melt viscosity, and flow activation energy, suggesting intramolecular interactions between polymer chains and a higher apparent molecular weight. In particular, extrusion of poly(PEG 8k -co-CaSIP) revealed vast opportunities for extrusion AM of well-defined parts. The unique melt rheological properties highlighted these poly(ether ester) ionomers as ideal candidates for low-temperature material extrusion additive manufacturing of water-soluble parts.

The Effect of the Melt Viscosity and Impregnation of a Film on the Mechanical Properties of Thermoplastic Composites

PubMed Central

Kim, Jong Won; Lee, Joon Seok

2016-01-01

Generally, to produce film-type thermoplastic composites with good mechanical properties, high-performance reinforcement films are used. In this case, films used as a matrix are difficult to impregnate into tow due to their high melt viscosity and high molecular weight. To solve the problem, in this paper, three polypropylene (PP) films with different melt viscosities were used separately to produce film-type thermoplastic composites. A film with a low melt viscosity was stacked so that tow was impregnated first and a film with a higher melt viscosity was then stacked to produce the composite. Four different composites were produced by regulating the pressure rising time. The thickness, density, fiber volume fraction (Vf), and void content (Vc) were analyzed to identify the physical properties and compare them in terms of film stacking types. The thermal properties were identified by using differential scanning calorimetry (DSC) and dynamical mechanical thermal analysis (DMTA). The tensile property, flexural property, interlaminar shear strength (ILSS), and scanning electron microscopy (SEM) were performed to identify the mechanical properties. For the films with low molecular weight, impregnation could be completed fast but showed low strength. Additionally, the films with high molecular weight completed impregnation slowly but showed high strength. Therefore, appropriate films should be used considering the forming process time and their mechanical properties to produce film-type composites. PMID:28773572

Intrinsic Curvature-Mediated Transbilayer Coupling in Asymmetric Lipid Vesicles

DOE PAGES

Eicher, Barbara; Marquardt, Drew; Heberle, Frederick A.; ...

2018-01-09

We measured the effect of intrinsic lipid curvature, J 0, on structural properties of asymmetric vesicles made of palmitoyl-oleoyl-phosphatidylethanolamine (POPE; J 0 < 0) and palmitoyl-oleoyl-phosphatidylcholine (POPC; J 0 ~ 0). Electron microscopy and dynamic light scattering were used to determine vesicle size and morphology, and x-ray and neutron scattering, combined with calorimetric experiments and solution NMR, yielded insights into leaflet-specific lipid packing and melting processes. Below the lipid melting temperature we observed strong interleaflet coupling in asymmetric vesicles with POPE inner bilayer leaflets and outer leaflets enriched in POPC. This lipid arrangement manifested itself by lipids melting cooperatively inmore » both leaflets, and a rearrangement of lipid packing in both monolayers. On the other hand, no coupling was observed in vesicles with POPC inner bilayer leaflets and outer leaflets enriched in POPE. In this case, the leaflets melted independently and did not affect each other’s acyl chain packing. Furthermore, we found no evidence for transbilayer structural coupling above the melting temperature of either sample preparation. Our results are consistent with the energetically preferred location of POPE residing in the inner leaflet, where it also resides in natural membranes, most likely causing the coupling of both leaflets. The loss of this coupling in the fluid bilayers is most likely the result of entropic contributions.« less

Crustal-scale degassing and igneous mush re-organisation: a generic concept applied to episodic volcanism at the Soufrière Hills Volcano Montserrat

NASA Astrophysics Data System (ADS)

R Stephen J, S.; Cashman, K. V.

2015-12-01

A complete theory of episodic volcanism is lacking. Melt generation related to large scale tectonic processes is likely continuous but surface volcanic activity is typically episodic; for most volcanoes short-lived eruptions alternate with long periods of dormancy. Many models of volcanic activity and geophysical unrest are framed by a conceptual model of shallow magma chamber recharge, in which various phenomena are attributed to magma transport from deeper levels. While many aspects of volcanism are explained by this concept it has little explanatory power for key aspects of volcanism, including time scales of dormancy, eruption duration and eruption magnitude. Extensive trans-crustal igneous systems develop beneath active volcanoes in which much of the system is in a mushy state in which buoyancy-driven segregation of melt and magmatic fluid occurs to form layers, which are inherently unstable. We postulate that such systems are prone to destabilisation in which segregating layers amalgamate to form ephemeral magma chambers and in which melts and magmatic fluids decouple. Periods of dormancy relate to slow processes of segregation while short periods of volcanic unrest and eruption relate to episodic and rapid processes of destabilisation of the mush system. In this conceptual framework volatiles rather than magma recharge plays the key role in the dynamics of the shallow parts of the magmatic systems. Magma ascent during episodes of destabilisation does not itself cause pressurisation because melts and crystals are near incompressible, while volatile exsolution and decompression results in major pressure changes that can lead to unrest and eruption. These concepts are applied to the interpretation of stratigraphic, geochronological, geophysical, geochemical, petrological and volcanological data of volcanic activity at the Soufrière Hills Volcano (SHV), Montserrat.

Increased future ice discharge from Antarctica owing to higher snowfall.

PubMed

Winkelmann, R; Levermann, A; Martin, M A; Frieler, K

2012-12-13

Anthropogenic climate change is likely to cause continuing global sea level rise, but some processes within the Earth system may mitigate the magnitude of the projected effect. Regional and global climate models simulate enhanced snowfall over Antarctica, which would provide a direct offset of the future contribution to global sea level rise from cryospheric mass loss and ocean expansion. Uncertainties exist in modelled snowfall, but even larger uncertainties exist in the potential changes of dynamic ice discharge from Antarctica and thus in the ultimate fate of the precipitation-deposited ice mass. Here we show that snowfall and discharge are not independent, but that future ice discharge will increase by up to three times as a result of additional snowfall under global warming. Our results, based on an ice-sheet model forced by climate simulations through to the end of 2500 (ref. 8), show that the enhanced discharge effect exceeds the effect of surface warming as well as that of basal ice-shelf melting, and is due to the difference in surface elevation change caused by snowfall on grounded versus floating ice. Although different underlying forcings drive ice loss from basal melting versus increased snowfall, similar ice dynamical processes are nonetheless at work in both; therefore results are relatively independent of the specific representation of the transition zone. In an ensemble of simulations designed to capture ice-physics uncertainty, the additional dynamic ice loss along the coastline compensates between 30 and 65 per cent of the ice gain due to enhanced snowfall over the entire continent. This results in a dynamic ice loss of up to 1.25 metres in the year 2500 for the strongest warming scenario. The reported effect thus strongly counters a potential negative contribution to global sea level by the Antarctic Ice Sheet.

Impact of hydration and temperature history on the structure and dynamics of lignin

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

Vural, Derya; Gainaru, C.; O'Neill, Hugh Michael

The full utilization of plant biomass for the production of energy and novel materials often involves high temperature treatment. Examples include melt spinning of lignin for manufacturing low-cost carbon fiber and the relocalization of lignin to increase the accessibility of cellulose for production of biofuels. These temperature-induced effects arise from poorly understood changes in lignin flexibility. Here, we combine molecular dynamics simulations with neutron scattering and dielectric spectroscopy experiments to probe the dependence of lignin dynamics on hydration and thermal history. We find a dynamical and structural hysteresis: at a given temperature, the lignin molecules are more expanded and theirmore » dynamics faster when the lignin is cooled than when heated. The structural hysteresis is more pronounced for dry lignin. The difference in dynamics, however, follows a different trend, it is found to be more significant at high temperatures and high hydration levels. The simulations also reveal syringyl units to be more dynamic than guiacyl. The results provide an atomic-detailed description of lignin dynamics, important for understanding lignin role in plant cell wall mechanics and for rationally improving lignin processing. The lignin glass transition, at which the polymer softens, is lower when lignin is cooled than when heated, therefore extending the cooling phase of processing and shortening the heating phase may offer ways to lower processing costs.« less

Impact of hydration and temperature history on the structure and dynamics of lignin

DOE PAGES

Vural, Derya; Gainaru, C.; O'Neill, Hugh Michael; ...

2018-03-16

The full utilization of plant biomass for the production of energy and novel materials often involves high temperature treatment. Examples include melt spinning of lignin for manufacturing low-cost carbon fiber and the relocalization of lignin to increase the accessibility of cellulose for production of biofuels. These temperature-induced effects arise from poorly understood changes in lignin flexibility. Here, we combine molecular dynamics simulations with neutron scattering and dielectric spectroscopy experiments to probe the dependence of lignin dynamics on hydration and thermal history. We find a dynamical and structural hysteresis: at a given temperature, the lignin molecules are more expanded and theirmore » dynamics faster when the lignin is cooled than when heated. The structural hysteresis is more pronounced for dry lignin. The difference in dynamics, however, follows a different trend, it is found to be more significant at high temperatures and high hydration levels. The simulations also reveal syringyl units to be more dynamic than guiacyl. The results provide an atomic-detailed description of lignin dynamics, important for understanding lignin role in plant cell wall mechanics and for rationally improving lignin processing. The lignin glass transition, at which the polymer softens, is lower when lignin is cooled than when heated, therefore extending the cooling phase of processing and shortening the heating phase may offer ways to lower processing costs.« less

Influence of starting material on the degassing behavior of trachytic and phonolitic melts

NASA Astrophysics Data System (ADS)

Preuss, Oliver; Marxer, Holger; Nowak, Marcus

2015-04-01

The dynamic magmatic processes beneath volcanic systems, occurring during magma ascent, cannot be observed directly in nature. Simulation of magma ascent in the lab realized by continuous decompression (CD) of a volatile containing melt is essential to understand these processes that may lead to potentially catastrophic eruptions threatening millions of people in highly populated areas like Naples located between the Campi Flegrei Volcanic Field and the Monte Somma-Vesuvio strato-volcano. In this project, experimental simulations of Campanian Ignimbrite (CI) magma ascent will give insight to the mechanisms of the CI super eruption, thus providing tools for volcanic hazard assessment at the high risk Campanian Volcanic District and other comparable volcanic systems. Additionally, comparable experiments with the same conditions using the 'white pumice' composition of the catastrophic Vesuvius AD 79 (VAD79) eruption, have been conducted. So far, the experiments were performed in an internally heated argon pressure vessel coupled with a high-pressure low-flow metering valve and a piezoelectric nano-positioning system using a starting pressure of 200 MPa, H2O content of about 5 wt% and two different decompression rates (0.024 and 0.17 MPa/s) at a superliquidus temperature of 1050 ° C to ensure a crystal free melt and a homogeneous bubble nucleation. Experiments were conducted with both, glass powder and cylinders, subsequently decompressed to 75 and 100 MPa and rapidly quenched. Beside the results that e.g. decompression rate, volatile content, fluid solubility and target pressure affect the degassing behavior of the melt, the influence of the starting material on the degassing processes is significant. Analyses of BSE- and transmitted light microscopy images revealed a different degassing behavior of glass cylinder experiments compared to powders. Nitrogen has a very low solubility in hydrous silicate melts, supporting our suggestion that preexisting nitrogen rich bubbles (from trapped air between the single glass grains) in the melt lead to growth of these preexisting bubbles resulting in near equilibrium degassing where no further nucleation is needed. This results in much higher porosities of the degassed samples compared to those where pure dissolved H2O is present. The same effect was observed by repeating these experiments with a phonolitic VAD79 composition. In ongoing experiments using glass cylinders as starting material, approximately 0.4 wt% chlorine (average Campanian Ignimbrite melt inclusion data [1]) will be added as a volatile component to study the influence on the degassing behavior of hydrous CI melt. [1] Marianelli et al. (2006) Geology 34(11), 937

Melt onset over Arctic sea ice controlled by atmospheric moisture transport

NASA Astrophysics Data System (ADS)

Mortin, Jonas; Svensson, Gunilla; Graversen, Rune G.; Kapsch, Marie-Luise; Stroeve, Julienne C.; Boisvert, Linette N.

2016-06-01

The timing of melt onset affects the surface energy uptake throughout the melt season. Yet the processes triggering melt and causing its large interannual variability are not well understood. Here we show that melt onset over Arctic sea ice is initiated by positive anomalies of water vapor, clouds, and air temperatures that increase the downwelling longwave radiation (LWD) to the surface. The earlier melt onset occurs; the stronger are these anomalies. Downwelling shortwave radiation (SWD) is smaller than usual at melt onset, indicating that melt is not triggered by SWD. When melt occurs early, an anomalously opaque atmosphere with positive LWD anomalies preconditions the surface for weeks preceding melt. In contrast, when melt begins late, clearer than usual conditions are evident prior to melt. Hence, atmospheric processes are imperative for melt onset. It is also found that spring LWD increased during recent decades, consistent with trends toward an earlier melt onset.

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.

Orbicules and Comb Layers: Igneous Layering in Shallow Plutons as a Result of Mineral Growth in Subvolcanic Conduits

NASA Astrophysics Data System (ADS)

McCarthy, A. J.; Müntener, O.

2017-12-01

Different processes have been proposed to explain the variety of igneous layering in plutonic rocks. Vertical layering in particular has been described as resulting from various processes such as Ostwald ripening, oscillatory crystallization or reactive mush infiltration in cooling plutons. Comb layers and orbicules are formed by the growth of elongated, feather-like minerals growing ±perpendicular to the layering and nucleating either on dyke walls (comb layers) or on xenoliths (orbicules) at the contact between homogenous plutons. Through a detailed study of the mineralogy, bulk chemistry and the size-frequency distribution of representative comb layers and orbicules of the 110Ma Fisher Lake Pluton (Sierra Nevada, USA), we show that comb layers and orbicules show no evidence of forming through a self-organizing, oscillatory crystallization process, but represent crystallization fronts resulting from in-situ crystallization and extraction of evolved melt fractions during decompression-driven crystallization of superheated melts in subvolcanic conduits. The microstructures are dominated by the formation of a plagioclase-dominated cres-cumulate at the mm- to m-scale. We propose that the crystal content of the melt and the dynamics of the magmatic system control the mechanisms responsible for vertical igneous layering in shallow reservoirs. Moreover, the mineralogical and compositional variation of orbicules rims and comb layers can be ascribed to variations in pressure, temperature and cooling rates within the subvolcanic conduit, with estimated growth timescales of mm- to m-thick orbicules and comb layers ranging from weeks to years. Moreover, though plagioclase-glomerocrysts found in erupted volcanic products are generally interpreted as remobilized crystal-mush, we propose that some glomerocrysts might represent "failed" orbicules forming within vertical conduits upon eruption. Such glomerocrysts, as well as orbicules found in erupted volcanic products, might allow for unique insights into the dynamics, timescales and P-T conditions within volcanic conduits upon eruption.

Early evolution and dynamics of Earth from a molten initial stage

NASA Astrophysics Data System (ADS)

Louro Lourenço, Diogo; Tackley, Paul J.

2016-04-01

It is now well established that most of the terrestrial planets underwent a magma ocean stage during their accretion. On Earth, it is probable that at the end of accretion, giant impacts like the hypothesised Moon-forming impact, together with other sources of heat, melted a substantial part of the mantle. The thermal and chemical evolution of the resulting magma ocean most certainly had dramatic consequences on the history of the planet. Considerable research has been done on magma oceans using simple 1-D models (e.g.: Abe, PEPI 1997; Solomatov, Treat. Geophys. 2007; Elkins-Tanton EPSL 2008). However, some aspects of the dynamics may not be adequately addressed in 1-D and require the use of 2-D or 3-D models. Moreover, new developments in mineral physics that indicate that melt can be denser than solid at high pressures (e.g.: de Koker et al., EPSL 2013) can have very important impacts on the classical views of the solidification of magma oceans (Labrosse et al., Nature 2007). The goal of our study is to understand and characterize the influence of melting on the long-term thermo-chemical evolution of rocky planet interiors, starting from an initial molten state (magma ocean). Our approach is to model viscous creep of the solid mantle, while parameterizing processes that involve melt as previously done in 1-D models, including melt-solid separation at all melt fractions, the use of an effective diffusivity to parameterize turbulent mixing, coupling to a parameterized core heat balance and a radiative surface boundary condition. These enhancements have been made to the numerical code StagYY (Tackley, PEPI 2008). We present results for the evolution of an Earth-like planet from a molten initial state to present day, while testing the effect of uncertainties in parameters such as melt-solid density differences, surface heat loss and efficiency of turbulent mixing. Our results show rapid cooling and crystallization until the rheological transition then much slower crystallization, large-scale overturn well before full solidification, the formation and subduction of an early crust while a partially-molten upper mantle is still present, transitioning to mostly-solid-state long-term mantle convection and plate tectonics or an episodic-lid regime.

Early evolution and dynamics of Earth from a molten initial stage

NASA Astrophysics Data System (ADS)

Lourenço, Diogo; Tackley, Paul

2015-04-01

It is now well established that most of the terrestrial planets underwent a magma ocean stage during their accretion. On Earth, it is probable that at the end of accretion, giant impacts like the hypothesised Moon-forming impact, together with other sources of heat, melted a substantial part of the mantle. The thermal and chemical evolution of the resulting magma ocean most certainly had dramatic consequences on the history of the planet. Considerable research has been done on magma oceans using simple 1-D models (e.g.: Abe, PEPI 1997; Solomatov, Treat. Geophys. 2007; Elkins-Tanton EPSL 2008). However, some aspects of the dynamics may not be adequately addressed in 1-D and require the use of 2-D or 3-D models. Moreover, new developments in mineral physics that indicate that melt can be denser than solid at high pressures (e.g.: de Koker et al., EPSL 2013) can have very important impacts on the classical views of the solidification of magma oceans (Labrosse et al., Nature 2007). The goal of our study is to understand and characterize the influence of melting on the long-term thermo-chemical evolution of rocky planet interiors, starting from an initial molten state (magma ocean). Our approach is to model viscous creep of the solid mantle, while parameterizing processes that involve melt as previously done in 1-D models, including melt-solid separation at all melt fractions, the use of an effective diffusivity to parameterize turbulent mixing, coupling to a parameterized core heat balance and a radiative surface boundary condition. These enhancements have been made to the numerical code StagYY (Tackley, PEPI 2008). We will present results for the evolution of an Earth-like planet from a molten initial state to present day, while testing the effect of uncertainties in parameters such as melt-solid density differences, surface heat loss and efficiency of turbulent mixing. Our results show rapid cooling and crystallization until the rheological transition then much slower crystallization, large-scale overturn well before full solidification, the formation and subduction of an early crust while a partially-molten upper mantle is still present, transitioning to mostly-solid-state long-term mantle convection and plate tectonics or an episodic-lid regime.

Evolution and dynamics of Earth from a molten initial stage

NASA Astrophysics Data System (ADS)

Louro Lourenço, D. J.; Tackley, P.

2016-12-01

It is now well established that most of the terrestrial planets underwent a magma ocean stage during their accretion. On Earth, it is probable that at the end of accretion, giant impacts like the hypothesised Moon-forming impact, together with other sources of heat, melted a substantial part of the mantle. The thermal and chemical evolution of the resulting magma ocean most certainly had dramatic consequences on the history of the planet. Considerable research has been done on magma oceans using simple 1-D models (e.g.: Abe, PEPI 1997; Solomatov, Treat. Geophys. 2007; Elkins-Tanton EPSL 2008). However, some aspects of the dynamics may not be adequately addressed in 1-D and require the use of 2-D or 3-D models. Moreover, new developments in mineral physics that indicate that melt can be denser than solid at high pressures (e.g.: de Koker et al., EPSL 2013) can have very important impacts on the classical views of the solidification of magma oceans (Labrosse et al., Nature 2007; Labrosse et al., The Early Earth 2015). The goal of our study is to understand and characterize the influence of melting on the long-term thermo-chemical evolution of rocky planet interiors, starting from an initial molten state (magma ocean). Our approach is to model viscous creep of the solid mantle, while parameterizing processes that involve melt as previously done in 1-D models, including melt-solid separation at all melt fractions, the use of an effective diffusivity to parameterize turbulent mixing, coupling to a parameterized core heat balance and a radiative surface boundary condition. These enhancements have been made to the numerical code StagYY (Tackley, PEPI 2008). We present results for the evolution of an Earth-like planet from a molten initial state to present day, while testing the effect of uncertainties in parameters such as melt-solid density differences, surface heat loss and efficiency of turbulent mixing. Our results show rapid cooling and crystallization until the rheological transition then much slower crystallization, large-scale overturn well before full solidification, the formation and subduction of an early crust while a partially-molten upper mantle is still present, transitioning to mostly-solid-state long-term mantle convection and plate tectonics or an episodic-lid regime.

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.

Validating predictions made by a thermo-mechanical model of melt segregation in sub-volcanic systems

NASA Astrophysics Data System (ADS)

Roele, Katarina; Jackson, Matthew; Morgan, Joanna

2014-05-01

A quantitative understanding of the spatial and temporal evolution of melt distribution in the crust is crucial in providing insights into the development of sub-volcanic crustal stratigraphy and composition. This work aims to relate numerical models that describe the base of volcanic systems with geophysical observations. Recent modelling has shown that the repetitive emplacement of mantle-derived basaltic sills, at the base of the lower crust, acts as a heat source for anatectic melt generation, buoyancy-driven melt segregation and mobilisation. These processes form the lowermost architecture of complex sub-volcanic networks as upward migrating melt produces high melt fraction layers. These 'porosity waves' are separated by zones with high compaction rates and have distinctive polybaric chemical signatures that suggest mixed crust and mantle origins. A thermo-mechanical model produced by Solano et al in 2012 has been used to predict the temperatures and melt fractions of successive high porosity layers within the crust. This model was used as it accounts for the dynamic evolution of melt during segregation and migration through the crust; a significant process that has been neglected in previous models. The results were used to input starting compositions for each of the layers into the rhyolite-MELTS thermodynamic simulation. MELTS then determined the approximate bulk composition of the layers once they had cooled and solidified. The mean seismic wave velocities of the polymineralic layers were then calculated using the relevant Voight-Reuss-Hill mixture rules, whilst accounting for the pressure and temperature dependence of seismic wave velocity. The predicted results were then compared with real examples of reflectivity for areas including the UK, where lower crustal layering is observed. A comparison between the impedance contrasts at compositional boundaries is presented as it confirms the extent to which modelling is able to make predictions that are consistent with the real data. This highlights improvements that could be made to the thermo-mechanical model, such as an extension into 3-D that would be capable of capturing the effects of convective instabilities. In addition, it describes how far numerical models are capable of reducing the uncertainty in the parameter space for poorly defined crustal properties. Most importantly however, it gives an improved understanding of the intrusion and development of melt zones in the continental crust that ultimately control the formation of volcanic systems. [1] Solano, J. M. S., M. D. Jackson, R. S. J. Sparks, J. D. Blundy, and C. Annen (2012). Melt segregation in deep crustal hot zones: a mechanism for chemical differentiation, crustal assimilation and the formation of evolved magmas. Journal of Petrology, 53, Number 10, Pages 1999-2026. DOI: 10.1093/petrology/egs041.

Mantle plume capture, anchoring, and outflow during Galápagos plume-ridge interaction

NASA Astrophysics Data System (ADS)

Gibson, S. A.; Geist, D. J.; Richards, M. A.

2015-05-01

Compositions of basalts erupted between the main zone of Galápagos plume upwelling and adjacent Galápagos Spreading Center (GSC) provide important constraints on dynamic processes involved in transfer of deep-mantle-sourced material to mid-ocean ridges. We examine recent basalts from central and northeast Galápagos including some that have less radiogenic Sr, Nd, and Pb isotopic compositions than plume-influenced basalts (E-MORB) from the nearby ridge. We show that the location of E-MORB, greatest crustal thickness, and elevated topography on the GSC correlates with a confined zone of low-velocity, high-temperature mantle connecting the plume stem and ridge at depths of ˜100 km. At this site on the ridge, plume-driven upwelling involving deep melting of partially dehydrated, recycled ancient oceanic crust, plus plate-limited shallow melting of anhydrous peridotite, generate E-MORB and larger amounts of melt than elsewhere on the GSC. The first-order control on plume stem to ridge flow is rheological rather than gravitational, and strongly influenced by flow regimes initiated when the plume was on axis (>5 Ma). During subsequent northeast ridge migration material upwelling in the plume stem appears to have remained "anchored" to a contact point on the GSC. This deep, confined NE plume stem-to-ridge flow occurs via a network of melt channels, embedded within the normal spreading and advection of plume material beneath the Nazca plate, and coincides with locations of historic volcanism. Our observations require a more dynamically complex model than proposed by most studies, which rely on radial solid-state outflow of heterogeneous plume material to the ridge.

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

NASA Astrophysics Data System (ADS)

Perepechko, Yury; Sorokin, Konstantin; Sharapov, Victor

2014-05-01

Numeric 2D simulation of the decompression melting above the hot spots (HS) was accomplished under the following conditions: initial temperature within crust mantle section was postulated; thickness of the metasomatized lithospheric mantle is determined by the mantle rheology and position of upper asthenosphere boundary; upper and lower boundaries were postulated to be not permeable and the condition for adhesion and the distribution of temperature (1400-2050°C); lateral boundaries imitated infinity of layer. Sizes and distribution of lateral points, their symmetry, and maximum temperature varied between the thermodynamic condition for existences of perovskite - majorite transition and its excess above transition temperature. Problem was solved numerically a cell-vertex finite volume method for thermo hydrodynamic problems. For increasing convergence of iterative process the method of lower relaxation with different value of relaxation parameter for each equation was used. The method of through calculation was used for the increase in the computing rate for the two-layered upper mantle - lithosphere system. Calculated region was selected as 700 x (2100-4900) km. The time step for the study of the asthenosphere dynamics composed 0.15-0.65 Ma. The following factors controlling the sizes and melting degree of the convective upper mantle, are shown: a) the initial temperature distribution along the section of upper mantleb) sizes and the symmetry of HS, c) temperature excess within the HS above the temperature on the upper and lower mantle border TB=1500-2000oC with 5-15% deviation but not exceed 2350oC. It is found, that appearance of decompression melting with HS presence initiate primitive mantle melting at TB > of 1600oC. Initial upper mantle heating influence on asthenolens dimensions with a constant HS size is controlled mainly by decompression melting degree. Thus, with lateral sizes of HS = 400 km the decompression melting appears at TB > 1600oC and HS temperature (THS) > 1900oC asthenolens size ~700 km. When THS = of 2000oC the maximum melting degree of the primitive mantle is near 40%. An increase in the TB > 1900oC the maximum degree of melting could rich 100% with the same size of decompression melting zone (700 km). We examined decompression melting above the HS having LHS = 100 km - 780 km at a TB 1850- 2100oC with the thickness of lithosphere = 100 km.It is shown that asthenolens size (Lln) does not change substantially: Lln=700 km at LHS = of 100 km; Lln= 800 km at LHS = of 780 km. In presence of asymmetry of large HS the region of advection is developed above the HS maximum with the formation of asymmetrical cell. Influence of lithospheric plate thicknesses on appearance and evolution of asthenolens above the HS were investigated for the model stepped profile for the TB ≤ of 1750oS with Lhs = 100km and maximum of THS =2350oC. With an increase of TB the Lln difference beneath lithospheric steps is leveled with retention of a certain difference to melting degrees and time of the melting appearance a top of the HS. RFBR grant 12-05-00625.

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.

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.

Injection blow moulding single stage process: Validation of the numerical simulation through tomography analysis

NASA Astrophysics Data System (ADS)

Biglione, Jordan; Béreaux, Yves; Charmeau, Jean-Yves

2016-10-01

The injection blow moulding single stage process has been made available on standard injection moulding machine. Both the injection moulding stage and the blow moulding stage are being taken care of in an injection mould. Thus the dimensions of this mould are those of a conventional injection moulding mould. The fact that the two stages are located in the same mould leads to a process more constrained than the conventional one. This process introduces temperature gradients, molecular orientation, high stretch rates and high cooling rates. These constraints lead to a small processing window. In practice, the preform has to remain sufficiently melted to be blown so that the process takes place between the melting temperature and the crystallization temperature. In our numerical approach, the polymer is supposed to be blown in its molten state. Hence we have identified the mechanical behaviour of the polymer in its molten state through dynamical rheology experiments. A viscous Cross model has been proved to be relevant to the problem. Thermal dependence is assumed by an Arrhenius law. The process is simulated through a finite element code (POLYFLOW software) in the Ansys Workbench framework. Thickness measurements using image analysis of tomography data are performed and comparisons with the simulation results show good agreements.

Studies on the effect of storage time and plasticizers on the structural variations in thermoplastic starch.

PubMed

Schmitt, H; Guidez, A; Prashantha, K; Soulestin, J; Lacrampe, M F; Krawczak, P

2015-01-22

Starch was combined with plasticizers such as glycerol, sorbitol, glycerol/sorbitol and urea/ethanolamine blends by means of high shear extrusion process to prepare thermoplastic starch (TPS). Effect of storage time and plasticizers on the structural stability of melt processed TPS was investigated. Morphological observation, X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy reveal that melt extrusion process is efficient in transforming granular starch into a plasticized starch for all plasticizer compositions. XRD analysis highlights major changes in the microstructure of plasticized starch, and dependence of crystalline type and degree of crystallinity mainly on the plasticizer composition and storage time. Dynamical mechanical analysis (DMA) yields a decrease of the peak intensity of loss factor with aging time. The effect of ageing on tensile strength also appears to be highly dependent on the plasticizer composition. Thus, through different plasticizer combinations and ageing, starch-based materials with significant differences in tensile properties can be obtained, which may be tuned to meet the requirements of a wide range of applications. Copyright © 2014 Elsevier Ltd. All rights reserved.

Interaction between Edge-Driven Convection and Mantle Plumes

NASA Astrophysics Data System (ADS)

Manjón-Cabeza Córdoba, A.; Ballmer, M.

2017-12-01

Intraplate volcanism can occur in a variety of geodynamic settings. Its characteristics can inform about the underlying mantle dynamics. A non-negligible number of intraplate oceanic volcanoes are located close to continental shelves (e.g. Bermuda, Canary Islands, Cape Verde…). In these regions, any putative plumes would interact with Edge-Driven Convection (EDC), a mode of Small-Scale Convection that is triggered along steps of lithospheric thickness. We have systematically explored 2-D geodynamic models of EDC, varying e.g. the viscosity of the mantle, geometry of the edge, potential temperature, etc. In addition, we study the influence of a mantle plume with variable excess temperature and buoyancy flux at a given distance to the edge. The mantle-convection code is coupled with a new melting parameterization that considers the depletion effect on productivity. We apply this parameterization not only to predict the extent of melting for a given lithology, but also the major-element composition of extracted melts for comparison with geochemical data. Results show that the first EDC upwellings are always localized in the oceanic domain at a distance from the continental margin that depends on mantle viscosity. The initial geometry of the edge does not have a significant influence on the "steady-state" shape of EDC. Depending on the distance of the plume from the edge and plume vigor, the plume is either deflected or enhanced by EDC. The mix of materials that melts in the mantle, as well as the amount of melting, is controlled by the interaction of the plume with EDC (e.g., with melting restricted to fertile heterogeneities in the end-member EDC case). Because several model parameters affect this interaction and related melting, a joint analysis of major-element and trace-element composition of hotspot lavas is required to constrain mantle processes.

Constraints on the Locations of Volcanic Arcs (August Love Medal Lecture)

NASA Astrophysics Data System (ADS)

England, Philip

2010-05-01

Partial melting of the mantle in subduction zones is a leading mechanism of chemical differentiation of the Earth. Whereas the broad outlines of Earth's other major system of partial melting - the oceanic ridges - seem clear, the greater dynamic and thermodynamic complexities of subduction zones obscure fundamental aspects of the system, in particular the conditions under which melting initiates and the pathways by which the melt travels towards the Earth's surface. The vast majority of studies of these problems rest on interrogation of petrological and/or geochemical data on rocks erupted at the volcanic arcs, but this approach has resulted in the co-existence of mutually incompatible explanations for the locations of the volcanic arcs. An alternative to the complexity of petrological and geochemical argument is to focus on the geometrical simplicity of volcanic arcs. The observations (i) that the fronts to volcanic arcs fit small circles to within about 10 km and (ii) that the depth to the slab beneath the arc fronts correlates negatively with the descent speed of the slab provide a strong clue to the melting processes occurring at depth. Localized release of fluids by reactions taking place near the top of the slab are incapable of explaining this correlation. However, scaling analysis based on the physics of heat transfer in the wedge shows that such a correlation is predicted if the location of the arcs is controlled by a temperature-critical process taking place in the mantle wedge above the slab. Numerical experiments using realistic physical properties for the mantle in subduction zones support the scaling analysis and, when combined with the observed positions of the arcs, strongly imply that the arcs are localized above the places where the mantle wedge reaches a critical temperature of ~1250o-1300oC. Therefore, despite the importance of hydrous fluids for the overall magmatic budget in subduction zones, it is melting in the region above the anhydrous solidus that determines the location of the arcs. Heat carried by magma rising from this region is sufficient to modify the thermal structure of the wedge and determine the pathway through which both wet and dry melts reach the surface.

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.

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.

Ice-Cliff Failure via Retrogressive Slumping

NASA Astrophysics Data System (ADS)

Parizek, B. R.; Christianson, K.; Alley, R. B.; Voytenko, D.; Vankova, I.; Dixon, T. H.; Holland, D.

2016-12-01

The magnitude and rate of future sea-level rise from warming-induced ice-sheet shrinkage remain notably uncertain. Removal of most of an ice sheet by surface melting alone requires centuries to millennia. Oceanic warming may accelerate loss by removing buttressing ice shelves and thereby speeding flow of non-floating ice into the ocean, but, until recently, modeled timescales for major dynamic ice-sheet shrinkage were centuries or longer. Beyond certain thresholds, however, observations show that warming removes floating ice shelves, leaving grounded ice cliffs from which icebergs break off directly. Cliffs higher than some limit experience rapid structural failure. Recent parameterization of this process in a comprehensive ice-flow model produced much faster sea-level rise from future rapid warming than in previous modeling studies, through formation and retreat of tall ice cliffs. Fully physical representations of this process are not yet available, however. Here, we use modeling guided by terrestrial radar data from Helheim Glacier, Greenland to show that cliffs will fail by slumping and trigger rapid retreat at a threshold height that, in crevassed ice with surface melting, may be only slightly above the 100-m maximum observed today, but may be roughly twice that (180-275 m) in mechanically-competent ice under well-drained or low-melt conditions.

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.

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.

Understanding Greenland ice sheet hydrology using an integrated multi-scale approach

NASA Astrophysics Data System (ADS)

Rennermalm, A. K.; Moustafa, S. E.; Mioduszewski, J.; Chu, V. W.; Forster, R. R.; Hagedorn, B.; Harper, J. T.; Mote, T. L.; Robinson, D. A.; Shuman, C. A.; Smith, L. C.; Tedesco, M.

2013-03-01

Improved understanding of Greenland ice sheet hydrology is critically important for assessing its impact on current and future ice sheet dynamics and global sea level rise. This has motivated the collection and integration of in situ observations, model development, and remote sensing efforts to quantify meltwater production, as well as its phase changes, transport, and export. Particularly urgent is a better understanding of albedo feedbacks leading to enhanced surface melt, potential positive feedbacks between ice sheet hydrology and dynamics, and meltwater retention in firn. These processes are not isolated, but must be understood as part of a continuum of processes within an integrated system. This letter describes a systems approach to the study of Greenland ice sheet hydrology, emphasizing component interconnections and feedbacks, and highlighting research and observational needs.

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)

Multiphase Dynamics of Magma Oceans

NASA Astrophysics Data System (ADS)

Boukaré, Charles-Edouard; Ricard, Yanick; Parmentier, Edgar M.

2017-04-01

Since the earliest study of the Apollo lunar samples, the magma ocean hypothesis has received increasing consideration for explaining the early evolution of terrestrial planets. Giant impacts seem to be able to melt significantly large planets at the end of their accretion. The evolution of the resulting magma ocean would set the initial conditions (thermal and compositionnal structure) for subsequent long-term solid-state planet dynamics. However, magma ocean dynamics remains poorly understood. The major challenge relies on understanding interactions between the physical properties of materials (e.g., viscosity (at liquid or solid state), buoyancy) and the complex dynamics of an extremely vigorously convecting system. Such complexities might be neglected in cases where liquidus/adiabat interactions and density stratification leads to stable situations. However, interesting possibilities arise when exploring magma ocean dynamics in other regime. In the case of the Earth, recent studies have shown that the liquidus might intersect the adiabat at mid-mantle depth and/or that solids might be buoyant at deep mantle conditions. These results require the consideration of more sophisticated scenarios. For instance, how does bottom-up crystallization look with buoyant crystals? To understand this complex dynamics, we develop a multiphase phase numerical code that can handle simultaneously phase change, the convection in each phase and in the slurry, as well as the compaction or decompaction of the two phases. Although our code can only run in a limited parameter range (Rayleigh number, viscosity contrast between phases, Prandlt number), it provides a rich dynamics that illustrates what could have happened. For a given liquidus/adiabat configuration and density contrast between melt and solid, we explore magma ocean scenarios by varying the relative timescales of three first order processes: solid-liquid separation, thermo-chemical convective motions and magma ocean cooling.

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.

Thermal Convection on an Irradiated Target

NASA Astrophysics Data System (ADS)

Mehmedagic, Igbal; Thangam, Siva

2016-11-01

The present work involves the computational modeling of metallic targets subject to steady and high intensity heat flux. The ablation and associated fluid dynamics when metallic surfaces are exposed to high intensity laser fluence at normal atmospheric conditions is modelled. The incident energy from the laser is partly absorbed and partly reflected by the surface during ablation and subsequent vaporization of the melt. Computational findings based on effective representation and prediction of the heat transfer, melting and vaporization of the targeting material as well as plume formation and expansion are presented and discussed in the context of various ablation mechanisms, variable thermo-physical and optical properties, plume expansion and surface geometry. The energy distribution during the process between the bulk and vapor phase strongly depends on optical and thermodynamic properties of the irradiated material, radiation wavelength, and laser intensity. The relevance of the findings to various manufacturing processes as well as for the development of protective shields is discussed. Funded in part by U. S. Army ARDEC, Picatinny Arsenal, NJ.

A Reevaluation of Impact Melt Production

NASA Astrophysics Data System (ADS)

Pierazzo, E.; Vickery, A. M.; Melosh, H. J.

1997-06-01

The production of melt and vapor is an important process in impact cratering events. Because significant melting and vaporization do not occur in impacts at velocities currently achievable in the laboratory, a detailed study of the production of melt and vapor in planetary impact events is carried out with hydrocode simulations. Sandia's two-dimensional axisymmetric hydrocode CSQ was used to estimate the amount of melt and vapor produced for widely varying initial conditions: 10 to 80 km/sec for impact velocity, 0.2 to 10 km for the projectile radius. Runs with different materials demonstrate the material dependency of the final result. These results should apply to any size projectile (for given impact velocity and material), since the results can be dynamically scaled so long as gravity is unimportant in affecting the early-time flow. In contrast with the assumptions of previous analytical models, a clear difference in shape, impact-size dependence, and depth of burial has been found between the melt regions and the isobaric core. In particular, the depth of the isobaric core is not a good representation of the depth of the melt regions, which form deeper in the target. While near-surface effects cause the computed melt region shapes to look like “squashed spheres” the spherical shape is still a good analytical analog. One of the goals of melt production studies is to find proper scaling laws to infer melt production for any impact event of interest. We tested the point source limit scaling law for melt volumes (μ = 0.55-0.6) proposed by M. D. Bjorkman and K. A. Holsapple (1987,Int. J. Impact Eng.5, 155-163). Our results indicate that the point source limit concept does not apply to melt and vapor production. Rather, melt and vapor production follows an energy scaling law (μ = 0.67), in good agreement with previous results of T. J. Ahrens and J. D. O'Keefe [1977, inImpact and Explosion Cratering(D. J. Roddy, R. O. Pepin, and R. B. Merrill, Eds.), pp. 639-656, Pergamon Press, Elmsford, NY]. Finally we tested the accuracy of our melt production calculation against a terrestrial dataset compiled by R. A. F. Grieve and M. J. Cintala (1992,Meteorities27, 526-538). The hydrocode melt volumes are in good agreement with the estimated volumes of that set of terrestrial craters on crystalline basements. At present there is no good model for melt production from impact craters on sedimentary targets.

Metastable State during Melting and Solid-Solid Phase Transition of [CnMim][NO3] (n = 4-12) Ionic Liquids by Molecular Dynamics Simulation.

PubMed

Cao, Wudi; Wang, Yanting; Saielli, Giacomo

2018-01-11

We simulate the heating process of ionic liquids [C n Mim][NO 3 ] (n = 4, 6, 8, 10, 12), abbreviated as C n , by means of molecular dynamics (MD) simulation starting from a manually constructed triclinic crystal structure composed of polar layers containing anions and cationic head groups and nonpolar regions in between containing cationic alkyl side chains. During the heating process starting from 200 K, each system undergoes first a solid-solid phase transition at a lower temperature, and then a melting phase transition at a higher temperature to an isotropic liquid state (C 4 , C 6 , and C 8 ) or to a liquid crystal state (C 10 and C 12 ). After the solid-solid phase transition, all systems keep the triclinic space symmetry, but have a different set of lattice constants. C 4 has a more significant structural change in the nonpolar regions which narrows the layer spacing, while the layer spacings of other systems change little, which can be qualitatively understood by considering that the contribution of the effective van der Waals interaction in the nonpolar regions (abbreviated as EF1) to free energy becomes stronger with increasing side-chain length, and at the same time the contribution of the effective electrostatic interaction in the polar layers (abbreviated as EF2) to free energy remains almost the same. The melting phase transitions of all systems except C 6 are found to be a two-step process with an intermediate metastable state appeared during the melting from the crystal state to the liquid or liquid crystal state. Because the contribution of EF2 to the free energy is larger than EF1, the metastable state of C 4 has the feature of having higher ordered polar layers and lower ordered side-chain orientation. By contrast, C 8 -C 12 have the feature of having lower ordered polar layers and higher ordered side-chain orientation, because for these systems, the contribution of EF2 to the free energy is smaller than EF1. No metastable state is found for C 6 because the free-energy contribution of EF1 is balanced with EF2.

Fundamentals of twin-screw extrusion polymer melting: Common pitfalls and how to avoid them

NASA Astrophysics Data System (ADS)

Andersen, Paul

2015-05-01

The process for compounding engineered polymer formulations is comprised of several unit operations. These typically include, but are not limited to: feedstock introduction, polymer melt-mixing, distributive/dispersive mixing of minerals/fibers, removal of volatiles, and pressurization for discharge. While each unit operation has an impact on process productivity and the quality of the finished product, polymer melt-mixing has a significantly greater impact than the others. First, it consumes 50, 60 or higher percent of the total system energy. Second, it generates the highest radial as well as particle-particle interactive pressure of any unit operation. Third, the negative impact on the process of any design flaws in the melt-mixing configuration is transmitted downstream to all subsequent unit operations. For example, a melt-mixing design that is too intense may degrade the polymer while one that is too weak may result in excessive breakage of glass fiber being fed downstream due to the polymer solidifying on the glass fiber and subsequently being re-melted. Another example of the impact of an incorrect melt-mixing configuration would be excessive abrasive wear. Adhesive wear is also possible as well as deformation on both barrel wall and screw elements due to high radial forces. Additionally, non-melting material present during the melt-mixing process could be compacted into "briquettes" by the high radial pressure and would have to be dispersed by subsequent downstream unit operations. Other potential issues associated with a non-optimal melting section are pre-mature and incomplete melting. The former is more of a concern with melting of powder feed stock while the latter is more probable with feed stock comprised of a broad range of particle sizes. However, the consequence of both is to convey unmolten polymer beyond the melting section. While this may not be perceived as a significant issue for most processes, it is an issue if the sole purpose of the process is to uniformly melt the feedstock. This is case for powder to pellet conversion of polyolefins and melt spinning of mono-filament.

Understanding the physics of the Yellowstone magmatic system with geodynamic inverse modelling

NASA Astrophysics Data System (ADS)

Reuber, Georg; Kaus, Boris

2017-04-01

The Yellowstone magmatic system is one of the largest magmatic systems on Earth. Thus, it is important to understand the geodynamic processes that drive this very complex system on a larger scale ranging from the mantle plume up to the shallow magma chamber in the upper crust. Recent geophysical results suggest that two distinct magma chambers exist: a shallow, presumably felsic chamber and a deeper and partially molten chamber above the Moho [1]. Why melt stalls at different depth levels above the Yellowstone plume, whereas dikes cross-cut the whole lithosphere in the nearby Snake River Plane is puzzling. Therefore, we employ lithospheric-scale 2D and 3D geodynamic models to test the influence of different model parameters, such as the geometry of the magma chamber, the melt fraction, the rheological flow law, the densities and the thermal structure on their influence on the dynamics of the lithosphere. The melt content and the rock densities are obtained by consistent thermodynamic modelling of whole rock data of the Yellowstone stratigraphy. We present derivations in the stress field around the Yellowstone plume, diking areas and different melt accumulations. Our model predictions can be tested with available geophysical data (uplift rates, melt fractions, stress states, seismicity). By framing it in an inverse modelling approach we can constrain which parameters (melt fractions, viscosities, geometries) are consistent with the data and which are not. [1] Huang, Hsin-Hua, et al. "The Yellowstone magmatic system from the mantle plume to the upper crust." Science 348.6236 (2015): 773-776.

Petit-spot geology reveals melts in upper-most asthenosphere dragged by lithosphere

NASA Astrophysics Data System (ADS)

Machida, Shiki; Hirano, Naoto; Sumino, Hirochika; Hirata, Takafumi; Yoneda, Shigekazu; Kato, Yasuhiro

2015-09-01

Petit-spot volcanism is a phenomenon ubiquitous on Earth. It originates from melt in the upper-most mantle asthenosphere, occurring where the plate flexes and fractures before subduction. Recent geochemical and petrological studies of petit-spot volcanism lava have shown that understanding this form of volcanism can contribute to the investigation of mantle dynamics and CO2 degassing of Earth. However, geological information constraining the magma source of petit-spot remains limited. Here, we present a comprehensive dataset of geochemistry (major and trace elements, and Sr and Nd isotopic compositions) and 40Ar/39Ar ages of alkaline basaltic rocks and glasses to define the geological characteristics of petit-spot volcanoes in the northwestern Pacific. The geochemical and geochronological variations of the basalts indicate that petit-spot volcanism is characterized by a petrogenetically and temporally isolated magma system for each volcano. The basalt geochemistry further indicates that the magmas at the volcanoes were derived from the melting of a heterogeneous regional-scale source under a range of conditions. In addition, slight temporal intra-field migration of petit-spot vent fields against the plate motion was detected. These features indicate that the magma originates from isolated melt ponds at the lithosphere-asthenosphere boundary, and that the speed at which the melt ponds are dragged by the plate is only slightly slower than that of the plate motion. Our results provide detailed insight into eruption processes of asthenosphere melts induced by plate-flexure, and also suggest the complete coupling of the lithosphere to the upper-most asthenosphere in the case of large plate subduction.

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.

Dispersion and characterization of Thermoplastic Polyurethane/Multiwalled Carbon Nanotubes in co-rotative twin screw extruder

NASA Astrophysics Data System (ADS)

Benedito, Adolfo; Buezas, Ignacio; Giménez, Enrique; Galindo, Begoña

2010-06-01

The dispersion of multi-walled carbon nanotubes in thermoplastic polyurethanes has been done in co-rotative twin screw extruder through a melt blending process. A specific experimental design was prepared taking into account different compounding parameters such as feeding, temperature profile, screw speed, screw design, and carbon nanotube loading. The obtained samples were characterized by thermogravimetric analysis (TGA), light transmission microscopy, dynamic rheometry, and dynamic mechanical analysis. The objective of this work has been to study the dispersion quality of the carbon nanotubes and the effect of different compounding parameters to optimize them for industrial scale-up to final applications.

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.

Geochemistry of southern Pagan Island lavas, Mariana arc: The role of subduction zone processes

USGS Publications Warehouse

Marske, J.P.; Pietruszka, A.J.; Trusdell, F.A.; Garcia, M.O.

2011-01-01

New major and trace element abundances, and Pb, Sr, and Nd isotopic ratios of Quaternary lavas from two adjacent volcanoes (South Pagan and the Central Volcanic Region, or CVR) located on Pagan Island allow us to investigate the mantle source (i.e., slab components) and melting dynamics within the Mariana intra-oceanic arc. Geologic mapping reveals a pre-caldera (780-9.4ka) and post-caldera (<9.4ka) eruptive stage for South Pagan, whereas the eruptive history of the older CVR is poorly constrained. Crystal fractionation and magma mixing were important crustal processes for lavas from both volcanoes. Geochemical and isotopic variations indicate that South Pagan and CVR lavas, and lavas from the northern volcano on the island, Mt. Pagan, originated from compositionally distinct parental magmas due to variations in slab contributions (sediment and aqueous fluid) to the mantle wedge and the extent of mantle partial melting. A mixing model based on Pb and Nd isotopic ratios suggests that the average amount of sediment in the source of CVR (~2.1%) and South Pagan (~1.8%) lavas is slightly higher than Mt. Pagan (~1.4%) lavas. These estimates span the range of sediment-poor Guguan (~1.3%) and sediment-rich Agrigan (~2.0%) lavas for the Mariana arc. Melt modeling demonstrates that the saucer-shaped normalized rare earth element (REE) patterns observed in Pagan lavas can arise from partial melting of a mixed source of depleted mantle and enriched sediment, and do not require amphibole interaction or fractionation to depress the middle REE abundances of the lavas. The modeled degree of mantle partial melting for Agrigan (2-5%), Pagan (3-7%), and Guguan (9-15%) lavas correlates with indicators of fluid addition (e.g., Ba/Th). This relationship suggests that the fluid flux to the mantle wedge is the dominant control on the extent of partial melting beneath Mariana arc volcanoes. A decrease in the amount of fluid addition (lower Ba/Th) and extent of melting (higher Sm/Yb), and an increase in the sediment contribution (higher Th/Nb, La/Sm, and Pb isotopic ratios) from Mt. Pagan to South Pagan could reflect systematic cross-arc or irregular along-arc melting variations. These observations indicate that the length scale of compositional heterogeneity in the mantle wedge beneath Mariana arc volcanoes is small (~10km).

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

High-density Bi-Pb-Sr-Ca-Cu-O superconductor prepared by rapid thermal melt processing

NASA Astrophysics Data System (ADS)

Moon, B. M.; Lalevic, B.; Kear, B. H.; McCandlish, L. E.; Safari, A.; Meskoob, M.

1989-10-01

A high quality, dense Bi-Pb-Sr-Ca-Cu-O superconductor has been successfully synthesized by rapid thermal melt processing. Conventionally sintered pellets were melted at 1200 °C, cooled rapidly, and then annealed. As-melted samples exhibited semiconductor behavior, which upon annealing became superconducting at 115 K [Tc(zero)=105 K]. A detailed study of various processing techniques has been carried out.

Large explosive basaltic eruptions at Katla volcano, Iceland: Fragmentation, grain size and eruption dynamics

NASA Astrophysics Data System (ADS)

Schmith, Johanne; Höskuldsson, Ármann; Holm, Paul Martin; Larsen, Guðrún

2018-04-01

Katla volcano in Iceland produces hazardous large explosive basaltic eruptions on a regular basis, but very little quantitative data for future hazard assessments exist. Here details on fragmentation mechanism and eruption dynamics are derived from a study of deposit stratigraphy with detailed granulometry and grain morphology analysis, granulometric modeling, componentry and the new quantitative regularity index model of fragmentation mechanism. We show that magma/water interaction is important in the ash generation process, but to a variable extent. By investigating the large explosive basaltic eruptions from 1755 and 1625, we document that eruptions of similar size and magma geochemistry can have very different fragmentation dynamics. Our models show that fragmentation in the 1755 eruption was a combination of magmatic degassing and magma/water-interaction with the most magma/water-interaction at the beginning of the eruption. The fragmentation of the 1625 eruption was initially also a combination of both magmatic and phreatomagmatic processes, but magma/water-interaction diminished progressively during the later stages of the eruption. However, intense magma/water interaction was reintroduced during the final stages of the eruption dominating the fine fragmentation at the end. This detailed study of fragmentation changes documents that subglacial eruptions have highly variable interaction with the melt water showing that the amount and access to melt water changes significantly during eruptions. While it is often difficult to reconstruct the progression of eruptions that have no quantitative observational record, this study shows that integrating field observations and granulometry with the new regularity index can form a coherent model of eruption evolution.

Molecular dynamics (MD) studies on phase transformation and deformation behaviors in FCC metals and alloys

NASA Astrophysics Data System (ADS)

Qi, Yue

This thesis focused on the phase transformation and deformation behaviors in face center cubic (FCC) metals and alloys. These studies used the new quantum modified Sutton-Chen (QMSC) many-body potentials for Cu, Ni, Ag, and Au and for their alloys through simple combination rules. Various systems and processes are simulated by standard equilibrium molecular dynamics (MD), quasi-static equilibrium MD and non-equilibrium MD (NEMD), cooperated with different periodic boundary conditions. The main topics include: (1) Melting, glass formation, and crystallization processes in bulk alloys. In our simulation CuNi and pure Cu always form an FCC crystal, while Cu4Ag6 always forms glass (with Tg decreasing as the quench rate increases) due to the large atomic size difference. (2) Size effects in melting and crystallization in Ni nano clusters. There is a transition from cluster or molecular regime (where the icosahedral is the stable structure) below ˜500 atoms to a mesoscale regime (with well-defined bulk and surface properties and surface melting processes, which leads to Tm,N = Tm,B - alpha N-1/3) above ˜750 atoms. (3) The deformation behavior of metallic nanowires of pure Ni, NiCu and NiAu alloys, under high rates of uniaxial tensile strain, ranging from 5*108/s to 5*1010/s. We find that deformation proceeds through twinning and coherent slipping at low strain rate and amorphization at high strain rate. This research provides a new method, fast straining, to induce amorphization except fast cooling and disordering. (4) The calculation of the ½ <110> screw dislocation in nickel (Ni). We calculated the core energy of screw dislocation after dissociation is 0.5 eV/b, the annihilation process of opposite signed dislocations depends dramatically on the configurations of dissociation planes and the cross-slip energy barrier is 0.1eV/b. (5) Friction anisotropy on clean Ni(100)/(100) interface. We found that static friction coefficient on flat and incommensurate interface is close to zero (as analytical theory predicted), however, the calculation show the same anisotropic behavior as experiments on rough surface, thus explained the difference between theory and experiments.

Recent advances on glass-forming systems driven far from equilibrium. Special issue marking the completion of the Research Unit FOR 1394 `Nonlinear response to probe vitrification'

NASA Astrophysics Data System (ADS)

Fuchs, Matthias

2017-08-01

The nature of the glass transition is one of the frontier questions in Statistical Physics and Materials Science. Highly cooperative structural processes develop in glass-forming melts exhibiting relaxational dynamics which is spread out over many decades in time. While considerable progress has been made in recent decades towards understanding dynamical slowing-down in quiescent systems, the interplay of glassy dynamics with external fields reveals a wealth of novel phenomena yet to be explored. This special issue focuses on recent results obtained by the Research Unit FOR 1394 `Nonlinear response to probe vitrification' which was funded by the German Science Foundation (DFG). In the projects of the research unit, strong external fields were used in order to gain insights into the complex structural and transport phenomena at the glass transition under far-from-equilibrium conditions. This aimed inter alia to test theories of the glass transition developed for quiescent systems by pushing them beyond their original regime. Combining experimental, simulational, and theoretical efforts, the eight projects within the FOR 1394 measured and determined aspects of the nonlinear response of supercooled metallic, polymeric, and silica melts, of colloidal dispersions, and of ionic liquids. Applied fields included electric and mechanic fields, and forced active probing (`micro-rheology'), where a single probe is forced through the glass-forming host. Nonlinear stress-strain and force-velocity relations as well as nonlinear dielectric susceptibilities and conductivities were observed. While the physical manipulation of melts and glasses is interesting in its own right, especially technologically, the investigations performed by the FOR 1394 suggest to use the response to strong homogeneous and inhomogeneous fields as technique to explore on the microscopic level the cooperative mechanisms in dense melts of strongly interacting constituents. Questions considered concern the (de-)coupling of different dynamical degrees of freedom in an external field, and the ensuing state diagrams. What forces are required to detach a localized probe particle from its initial environment in a supercooled liquid, in a glassy or granular system? Do metallic and colloidal glasses yield homogeneously or by strain localization under differently applied stresses? Which mechanisms determine field-dependent susceptibilities in dielectric and ionically conducting glass formers?

Magnetic Susceptibility Effects and Lorentz Damping in Diamagnetic Fluids

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan; Leslie, Fred W.

2000-01-01

A great number of crystals (semi-conductor and protein) grown in space are plagued by convective motions which contribute to structural flaws. The character of these instabilities is not well understood but is associated with density variations in the presence of residual gravity and g-jitter. Both static and dynamic (rotating or travelling wave) magnetic fields can be used to reduce the effects of convection in materials processing. In semi-conductor melts, due to their relatively high electrical conductivity, the induced Lorentz force can be effectively used to curtail convective effects. In melts/solutions with reduced electrical conductivity, such as aqueous solutions used in solution crystal growth, protein crystal growth and/or model fluid experiments for simulating melt growth, however, the variation of the magnetic susceptibility with temperature and/or concentration can be utilized to better damp fluid convection than the Lorentz force method. This paper presents a comprehensive, comparative numerical study of the relative damping effects using static magnetic fields and gradients in a simple geometry subjected to a thermal gradient. The governing equations are formulated in general terms and then simplified for the numerical calculations. Operational regimes, based on the best damping technique for different melts/solutions are identified based on fluid properties. Comparisons are provided between the numerical results and available results from experiments in surveyed literature.

Simultaneous measurement of temperature and emissivity of lunar regolith simulant using dual-channel millimeter-wave radiometry

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

McCloy, J. S.; Sundaram, S. K.; Matyas, J.

Millimeter wave (MMW) radiometry can be used for simultaneous measurement of emissivity and temperature of materials under extreme environments (high temperature, pressure, and corrosive environments). The state-of-the-art dual channel MMW passive radiometer with active interferometric capabilities at 137 GHz described here allows for radiometric measurements of sample temperature and emissivity up to at least 1600 °C with simultaneous measurement of sample surface dynamics. These capabilities have been used to demonstrate dynamic measurement of melting of powders of simulated lunar regolith and static measurement of emissivity of solid samples. The paper presents the theoretical background and basis for the dual-receiver system,more » describes the hardware in detail, and demonstrates the data analysis. Post-experiment analysis of emissivity versus temperature allows further extraction from the radiometric data of millimeter wave viewing beam coupling factors, which provide corroboratory evidence to the interferometric data of the process dynamics observed. Finally, these results show the promise of the MMW system for extracting quantitative and qualitative process parameters for industrial processes and access to real-time dynamics of materials behavior in extreme environments.« less

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.

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.

Laboratory plant study on the melting process of asbestos waste

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

Sakai, Shinichi; Terazono, Atsushi; Takatsuki, Hiroshi

The melting process was studied as a method of changing asbestos into non-hazardous waste and recovering it as a reusable resource. In an initial effort, the thermal behaviors of asbestos waste in terms of physical and chemical structure have been studied. Then, 10 kg/h-scale laboratory plant experiments were carried out. By X-ray diffraction analysis, the thermal behaviors of sprayed-on asbestos waste revealed that chrysotile asbestos waste change in crystal structure at around 800 C, and becomes melted slag, mainly composed of magnesium silicate, at around 1,500 C. Laboratory plant experiments on the melting process of sprayed-on asbestos have shown thatmore » melted slag can be obtained. X-ray diffraction analysis of the melted slag revealed crystal structure change, and SEM analysis showed the slag to have a non-fibrous form. And more, TEM analysis proved the very high treatment efficiency of the process, that is, reduction of the asbestos content to 1/10{sup 6} as a weight basis. These analytical results indicate the effectiveness of the melting process for asbestos waste treatment.« less

Heterogeneous chain dynamics and aggregate lifetimes in precise acid-containing polyethylenes: Experiments and simulations

DOE PAGES

Middleton, L. Robert; Tarver, Jacob D.; Cordaro, Joseph; ...

2016-11-10

Melt state dynamics for a series of strictly linear polyethylenes with precisely spaced associating functional groups were investigated. The periodic pendant acrylic acid groups form hydrogen-bonded acid aggregates within the polyethylene (PE) matrix. The dynamics of these nanoscale heterogeneous morphologies were investigated from picosecond to nanosecond timescales by both quasi-elastic neutron scattering (QENS) measurements and fully atomistic molecular dynamics (MD) simulations. Two dynamic processes were observed. The faster dynamic processes which occur at the picosecond timescales are compositionally insensitive and indicative of spatially restricted local motions. The slower dynamic processes are highly composition dependent and indicate the structural relaxation ofmore » the polymer backbone. Higher acid contents, or shorter PE spacers between pendant acid groups, slow the structural relaxation timescale and increase the stretching parameter (β) of the structural relaxation. Additionally, the dynamics of specific hydrogen atom positions along the backbone correlate structural heterogeneity imposed by the associating acid groups with a mobility gradient along the polymer backbone. At time intervals (<2 ns), the mean-squared displacements for the four methylene groups closest to the acid groups are up to 10 times smaller than those of methylene groups further from the acid groups. At longer timescales acid aggregates rearrange and the chain dynamics of the slow, near-aggregate regions and the faster bridge regions converge, implying a characteristic timescale for the passage of chains between aggregates. As a result, the characterization of the nanoscale chain dynamics in these associating polymer systems both provides validation of simulation force fields and provides understanding of heterogeneous chain dynamics in associating polymers.« less

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.

Additive Manufacturing Processes: Selective Laser Melting, Electron Beam Melting and Binder Jetting—Selection Guidelines

PubMed Central

Konda Gokuldoss, Prashanth; Kolla, Sri; Eckert, Jürgen

2017-01-01

Additive manufacturing (AM), also known as 3D printing or rapid prototyping, is gaining increasing attention due to its ability to produce parts with added functionality and increased complexities in geometrical design, on top of the fact that it is theoretically possible to produce any shape without limitations. However, most of the research on additive manufacturing techniques are focused on the development of materials/process parameters/products design with different additive manufacturing processes such as selective laser melting, electron beam melting, or binder jetting. However, we do not have any guidelines that discuss the selection of the most suitable additive manufacturing process, depending on the material to be processed, the complexity of the parts to be produced, or the design considerations. Considering the very fact that no reports deal with this process selection, the present manuscript aims to discuss the different selection criteria that are to be considered, in order to select the best AM process (binder jetting/selective laser melting/electron beam melting) for fabricating a specific component with a defined set of material properties. PMID:28773031

Additive Manufacturing Processes: Selective Laser Melting, Electron Beam Melting and Binder Jetting-Selection Guidelines.

PubMed

Gokuldoss, Prashanth Konda; Kolla, Sri; Eckert, Jürgen

2017-06-19

Additive manufacturing (AM), also known as 3D printing or rapid prototyping, is gaining increasing attention due to its ability to produce parts with added functionality and increased complexities in geometrical design, on top of the fact that it is theoretically possible to produce any shape without limitations. However, most of the research on additive manufacturing techniques are focused on the development of materials/process parameters/products design with different additive manufacturing processes such as selective laser melting, electron beam melting, or binder jetting. However, we do not have any guidelines that discuss the selection of the most suitable additive manufacturing process, depending on the material to be processed, the complexity of the parts to be produced, or the design considerations. Considering the very fact that no reports deal with this process selection, the present manuscript aims to discuss the different selection criteria that are to be considered, in order to select the best AM process (binder jetting/selective laser melting/electron beam melting) for fabricating a specific component with a defined set of material properties.

Continuous manufacturing of solid lipid nanoparticles by hot melt extrusion.

PubMed

Patil, Hemlata; Kulkarni, Vijay; Majumdar, Soumyajit; Repka, Michael A

2014-08-25

Solid lipid nanoparticles (SLN) can either be produced by hot homogenization of melted lipids at higher temperatures or by a cold homogenization process. This paper proposes and demonstrates the formulation of SLN for pharmaceutical applications by combining two processes: hot melt extrusion (HME) technology for melt-emulsification and high-pressure homogenization (HPH) for size reduction. This work aimed at developing continuous and scalable processes for SLN by mixing a lipid and aqueous phase containing an emulsifier in the extruder barrel at temperatures above the melting point of the lipid and further reducing the particle size of emulsion by HPH linked to HME in a sequence. The developed novel platform demonstrated better process control and size reduction compared to the conventional process of hot homogenization (batch process). Varying the process parameters enabled the production of SLN below 200 nm (for 60 mg/ml lipid solution at a flow rate of 100ml/min). Among the several process parameters investigated, the lipid concentration, residence time and screw design played major roles in influencing the size of the SLN. This new process demonstrates the potential use of hot melt extrusion technology for continuous and large-scale production of SLN. Copyright © 2014 Elsevier B.V. All rights reserved.

Syn-eruptive CO2 Degassing of Submarine Lavas Flows: Constraints on Eruption Dynamics

NASA Astrophysics Data System (ADS)

Soule, S. A.; Boulahanis, B.; Fundis, A.; Clague, D. A.; Chadwick, B.

2013-12-01

At fast- and intermediate-spreading rate mid-ocean ridges, quenched lava samples are commonly supersaturated in CO2 with concentrations similar to the pressure/depth of shallow crustal melt lenses. This supersaturation is attributed to rapid ascent and decompression rates that exceed the kinetic rates of bubble nucleation and growth. During emplacement, CO2 supersaturated lavas experience nearly isothermal and isobaric conditions over a period of hours. A recent study has demonstrated systematic decreases in CO2 with increasing transport distance (i.e. time) along a single flow pathway within the 2005-06 eruption at the East Pacific Rise (~2500 m.b.s.l.). Based on analysis of vesicle population characteristics and complementary noble gas measurements, it is proposed that diffusion of CO2 into bubbles can be used as a basis to model the gas loss from the melt and thus place constraints on the dynamics of the eruption. We suggest that submarine lava flows represent a natural experiment in degassing that isolates conditions of low to moderate supersaturation and highlights timescales of diffusion and vesiculation processes that are relevant to shallow crustal and conduit processes in subaerial basaltic volcanic systems. Here we report a new suite of volatile concentration analyses and vesicle size distributions from the 2011 eruption of Axial Volcano along the Juan de Fuca Ridge (~1500 m.b.s.l.). The lava flows from this eruption are mapped by differencing of repeat high-resolution bathymetric surveys, so that the geologic context of the samples is known. In addition, in-situ instrument records record the onset of the eruption and place constraints on timing that can be used to verify estimates of eruption dynamics derived from degassing. This sample suite provides a comprehensive view of the variability in volatile concentrations within a submarine eruption and new constraints for evaluating models of degassing and vesiculation. Initial results show systematic variability in CO2 supersaturation along eruptive fissures as well as with increasing distance along flows pathways providing constraints on threshold decompression rates required to nucleate and grow bubbles in a basaltic melt, timescales of degassing in natural systems, and the properties of consequent vesicle populations.

Dynamics of Polymorphic Transformations in Palm Oil, Palm Stearin and Palm Kernel Oil Characterized by Coupled Powder XRD-DSC.

PubMed

Zaliha, Omar; Elina, Hishamuddin; Sivaruby, Kanagaratnam; Norizzah, Abd Rashid; Marangoni, Alejandro G

2018-06-01

The in situ polymorphic forms and thermal transitions of refined, bleached and deodorized palm oil (RBDPO), palm stearin (RBDPS) and palm kernel oil (RBDPKO) were investigated using coupled X-ray diffraction (XRD) and differential scanning calorimetry (DSC). Results indicated that the DSC onset crystallisation temperature of RBDPO was at 22.6°C, with a single reflection at 4.2Å started to appear from 23.4 to 17.1°C, and were followed by two prominent exothermic peaks at 20.1°C and 8.5°C respectively. Further cooling to -40°C leads to the further formation of a β'polymorph. Upon heating, a of β'→βtransformation was observed between 32.1 to 40.8°C, before the sample was completely melted at 43.0°C. The crystallization onset temperature of RBDPS was 44.1°C, with the appearance of the α polymorph at the same temperature as the appearance of the first sharp DSC exothermic peak. This quickly changed from α→β´ in the range 25 to 21.7°C, along with the formation of a small β peak at -40°C. Upon heating, a small XRD peak for the β polymorph was observed between 32.2 to 36.0°C, becoming a mixture of (β´+ β) between 44.0 to 52.5°C. Only the β polymorph survived further heating to 59.8°C. For RBDPKO, the crystallization onset temperature was 11.6°C, with the formation of a single sharp exothermic peak at 6.5°C corresponding to the β' polymorphic form until the temperature reached -40°C. No transformation of the polymorphic form was observed during the melting process of RBDPKO, before being completely melted at 33.2°C. This work has demonstrated the detailed dynamics of polymorphic transformations of PKO and PS, two commercially important hardstocks used widely by industry and will contribute to a greater understanding of their crystallization and melting dynamics.

Role of electronic excitation in the amorphization of Ge-Sb-Te alloys.

PubMed

Li, Xian-Bin; Liu, X Q; Liu, Xin; Han, Dong; Zhang, Z; Han, X D; Sun, Hong-Bo; Zhang, S B

2011-07-01

First-principles molecular dynamics simulation reveals the effects of electronic excitation in the amorphization of Ge-Sb-Te. The excitation makes the phase change an element-selective process, lowers the critical amorphization temperature considerably, for example, to below 700 K at a 9% excitation, and reduces the atomic diffusion coefficient with respect to that of melt by at least 1 order of magnitude. Noticeably, the resulting structure has fewer wrong bonds and significantly increased phase-change reversibility. Our results point to a new direction in manipulating ultrafast phase-change processes with improved controllability.

Metamorphic density controls on early-stage subduction dynamics

NASA Astrophysics Data System (ADS)

Duesterhoeft, Erik; Oberhänsli, Roland; Bousquet, Romain

2013-04-01

Subduction is primarily driven by the densification of the downgoing oceanic slab, due to dynamic P-T-fields in subduction zones. It is crucial to unravel slab densification induced by metamorphic reactions to understand the influence on plate dynamics. By analyzing the density and metamorphic structure of subduction zones, we may gain knowledge about the driving, metamorphic processes in a subduction zone like the eclogitization (i.e., the transformation of a MORB to an eclogite), the breakdown of hydrous minerals and the release of fluid or the generation of partial melts. We have therefore developed a 2D subduction zone model down to 250 km that is based on thermodynamic equilibrium assemblage computations. Our model computes the "metamorphic density" of rocks as a function of pressure, temperature and chemical composition using the Theriak-Domino software package at different time stages. We have used this model to investigate how the hydration, dehydration, partial melting and fractionation processes of rocks all influence the metamorphic density and greatly depend on the temperature field within subduction systems. These processes are commonly neglected by other approaches (e.g., gravitational or thermomechanical in nature) reproducing the density distribution within this tectonic setting. The process of eclogitization is assumed as being important to subduction dynamics, based on the very high density (3.6 g/cm3) of eclogitic rocks. The eclogitization in a MORB-type crust is possible only if the rock reaches the garnet phase stability field. This process is primarily temperature driven. Our model demonstrates that the initiation of eclogitization of the slab is not the only significant process that makes the descending slab denser and is responsible for the slab pull force. Indeed, our results show that the densification of the downgoing lithospheric mantle (due to an increase of pressure) starts in the early subduction stage and makes a significant contribution to the slab pull, where eclogitization does not occur. Thus, the lithospheric mantle acts as additional ballast below the sinking slab shortly after the initiation of subduction. Our calculation shows that the dogma of eclogitized basaltic, oceanic crust as the driving force of slab pull is overestimated during the early stage of subduction. These results improve our understanding of the force budget for slab pull during the intial and early stage of subduction. Therefore, the complex metamorphic structure of a slab and mantle wedge has an important impact on the development and dynamics of subduction zones. Further Reading: Duesterhoeft, Oberhänsli & Bousquet (2013), submitted to Earth and Planetary Science Letters

Melting behavior of nanometer sized gold isomers

NASA Astrophysics Data System (ADS)

Liu, H. B.; Ascencio, J. A.; Perez-Alvarez, M.; Yacaman, M. J.

2001-09-01

In the present work, the melting behavior of nanometer sized gold isomers was studied using a tight-binding potential with a second momentum approximation. The cases of cuboctahedra, icosahedra, Bagley decahedra, Marks decahedra and star-like decahedra were considered. We calculated the temperature dependence of the total energy and volume during melting and the melting point for different types and sizes of clusters. In addition, the structural evolutions of the nanosized clusters during the melting transition were monitored and revealed. It is found that the melting process has three characteristic time periods for the intermediate nanosized clusters. The whole process includes surface disordering and reordering, followed by surface melting and a final rapid overall melting. This is a new observation, which it is in contrast with previous reports where surface melting is the dominant step.

Episodic swell growth inferred from variable uplift of the Cape Verde hotspot islands

USGS Publications Warehouse

Ramalho, R.; Helffrich, G.; Cosca, M.; Vance, D.; Hoffmann, D.; Schmidt, D.N.

2010-01-01

On the Beagle voyage, Charles Darwin first noted the creation and subsidence of ocean islands, establishing in geology's infancy that island freeboard changes with time. Hotspot ocean islands have an obvious mechanism for freeboard change through the growth of the bathymetric anomaly, or swell, on which the islands rest. Models for swell development indicate that flexural, thermal or dynamic pressure contributions, as well as spreading of melt residue from the hotspot, can all contribute to island uplift. Here we test various models for swell development using the uplift histories for the islands of the Cape Verde hotspot, derived from isotopic dating of marine terraces and subaerial to submarine lava-flow morphologies. The island uplift histories, in conjunction with inter-island spacing, uplift rate and timing differences, rule out flexural, thermal or dynamic pressure contributions. We also find that uplift cannot be reconciled with models that advocate the spreading of melt residue in swell development unless swell growth is episodic. Instead, we infer from the uplift histories that two processes have acted to raise the islands during the past 6 Myr. During an initial phase, mantle processes acted to build the swell. Subsequently, magmatic intrusions at the island edifice caused 350 m of local uplift at the scale of individual islands. Finally, swell-wide uplift contributed a further 100 m of surface rise.

Episodic swell growth inferred from variable uplift of the Cape Verde hotspot islands

NASA Astrophysics Data System (ADS)

Ramalho, R.; Helffrich, G.; Cosca, M.; Vance, D.; Hoffmann, D.; Schmidt, D. N.

2010-11-01

On the Beagle voyage, Charles Darwin first noted the creation and subsidence of ocean islands, establishing in geology's infancy that island freeboard changes with time. Hotspot ocean islands have an obvious mechanism for freeboard change through the growth of the bathymetric anomaly, or swell, on which the islands rest. Models for swell development indicate that flexural, thermal or dynamic pressure contributions, as well as spreading of melt residue from the hotspot, can all contribute to island uplift. Here we test various models for swell development using the uplift histories for the islands of the Cape Verde hotspot, derived from isotopic dating of marine terraces and subaerial to submarine lava-flow morphologies. The island uplift histories, in conjunction with inter-island spacing, uplift rate and timing differences, rule out flexural, thermal or dynamic pressure contributions. We also find that uplift cannot be reconciled with models that advocate the spreading of melt residue in swell development unless swell growth is episodic. Instead, we infer from the uplift histories that two processes have acted to raise the islands during the past 6Myr. During an initial phase, mantle processes acted to build the swell. Subsequently, magmatic intrusions at the island edifice caused 350m of local uplift at the scale of individual islands. Finally, swell-wide uplift contributed a further 100m of surface rise.

Melt Conditioning of Light Metals by Application of High Shear for Improved Microstructure and Defect Control

NASA Astrophysics Data System (ADS)

Patel, Jayesh B.; Yang, Xinliang; Mendis, Chamini L.; Fan, Zhongyun

2017-04-01

Casting is the first step toward the production of majority of metal products whether the final processing step is casting or other thermomechanical processes such as extrusion or forging. The high shear melt conditioning provides an easily adopted pathway to producing castings with a more uniform fine-grained microstructure along with a more uniform distribution of the chemical composition leading to fewer defects as a result of reduced shrinkage porosities and the presence of large oxide films through the microstructure. The effectiveness of high shear melt conditioning in improving the microstructure of processes used in industry illustrates the versatility of the high shear melt conditioning technology. The application of high shear process to direct chill and twin roll casting process is demonstrated with examples from magnesium melts.

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.

Exploiting broadband seismograms and the mechanism of deep-focus earthquakes

NASA Astrophysics Data System (ADS)

Jiao, Wenjie

1997-09-01

Modern broadband seismic instrumentation has provided enormous opportunities to retrieve the information in almost any frequency band of seismic interest. In this thesis, we have investigated the long period responses of the broadband seismometers and the problem of recovering actual groundmotion. For the first time, we recovered the static offset for an earthquake from dynamic seismograms. The very long period waves of near- and intermediate-field term from 1994 large Bolivian deep earthquake (depth = 630km, Msb{W}=8.2) and 1997 large Argentina deep earthquake (depth = 285km, Msb{W}=7.1) are successfully recovered from the portable broadband recordings by BANJO and APVC networks. These waves provide another dynamic window into the seismic source process and may provide unique information to help constrain the source dynamics of deep earthquakes in the future. We have developed a new method to locate global explosion events based on broadband waveform stacking and simulated annealing. This method utilizes the information provided by the full broadband waveforms. Instead of "picking times", the character of the wavelet is used for locating events. The application of this methodology to a Lop Nor nuclear explosion is very successful, and suggests a procedure for automatic monitoring. We have discussed the problem of deep earthquakes from the viewpoint of rock mechanics and seismology. The rupture propagation of deep earthquakes requires a slip-weakening process unlike that for shallow events. However, this process is not necessarily the same as the process which triggers the rupture. Partial melting due to stress release is developed to account for the slip-weakening process in the deep earthquake rupture. The energy required for partial melting in this model is on the same order of the maximum energy required for the slip-weakening process in the shallow earthquake rupture. However, the verification of this model requires experimental work on the thermodynamic properties of rocks under non-hydrostatic stress. The solution of the deep earthquake problem will require an interdisciplinary study of seismology, high pressure rock mechanics, and mineralogy.

Analysis of impact craters on Mercury's surface.

NASA Astrophysics Data System (ADS)

Martellato, E.; Cremonese, G.; Marzari, F.; Massironi, M.; Capria, M. T.

The formation of a crater is a complex process, which can be analyzed with numerical simulations and/or observational methods. This work reports a preliminary analysis of some craters on Mercury, based on the Mariner 10 images. The physical and dynamical properties of the projectile may not derive from the knowledge of the crater alone, since the size of an impact crater depends on many parameters. We have calculated the diameter of the projectile using the scaling law of Schmidt and Housen (\\citep{SandM87}). It is performed for different projectile compositions and impact velocities, assuming an anorthositic composition of the surface. The melt volume production at the initial phases of the crater formation is also calculated by the experimental law proposed by O'Keefe and Ahrens (\\citep{OA82}), giving the ratio between melt and projectile mass.

Efficient Flowline Simulations of Ice Shelf-Ocean Interactions: Sensitivity Studies with a Fully Coupled Model

NASA Technical Reports Server (NTRS)

Walker, Ryan Thomas; Holland, David; Parizek, Byron R.; Alley, Richard B.; Nowicki, Sophie M. J.; Jenkins, Adrian

2013-01-01

Thermodynamic flowline and plume models for the ice shelf-ocean system simplify the ice and ocean dynamics sufficiently to allow extensive exploration of parameters affecting ice-sheet stability while including key physical processes. Comparison between geophysically and laboratory-based treatments of ice-ocean interface thermodynamics shows reasonable agreement between calculated melt rates, except where steep basal slopes and relatively high ocean temperatures are present. Results are especially sensitive to the poorly known drag coefficient, highlighting the need for additional field experiments to constrain its value. These experiments also suggest that if the ice-ocean interface near the grounding line is steeper than some threshold, further steepening of the slope may drive higher entrainment that limits buoyancy, slowing the plume and reducing melting; if confirmed, this will provide a stabilizing feedback on ice sheets under some circumstances.

Impact-generated winds on Venus: Causes and effects

NASA Technical Reports Server (NTRS)

Schultz, Pater H.

1992-01-01

The pressure of the dense atmosphere of Venus significantly changes the appearance of ejecta deposits relative to craters on the Moon and Mercury. Conversely, specific styles and sequences of ejecta emplacement can be inferred to represent different intensities of atmospheric response winds acting over different timescales. Three characteristic timescales can be inferred from the geologic record: surface scouring and impactor-controlled (angle and direction) initiation of the long fluidized run-out flows; nonballistic emplacement of inner, radar-bright ejecta facies and radar-dark outer facies; and very late reworking of surface materials. These three timescales roughly correspond to processes observed in laboratory experiments that can be scaled to conditions on Venus (with appropriate assumptions): coupling between the atmosphere and earlytime vapor/melt (target and impactor) that produces an intense shock that subsequently evolves into blast/response winds; less energetic dynamic response of the atmosphere to the outward-moving ballistic ejecta curtain that generates nonthermal turbulent eddies; and late recovery of the atmosphere to impact-generated thermal and pressure gradients expressed as low-energy but long-lived winds. These different timescales and processes can be viewed as the atmosphere equivalent of shock melting, material motion, and far-field seismic response in the target. The three processes (early Processes, Atmospheric Processes, and Late Recovery Winds) are discussed at length.

The Effects of Polymer Carrier, Hot Melt Extrusion Process and Downstream Processing Parameters on the Moisture Sorption Properties of Amorphous Solid Dispersions

PubMed Central

Feng, Xin; Vo, Anh; Patil, Hemlata; Tiwari, Roshan V.; Alshetaili, Abdullah S.; Pimparade, Manjeet B.; Repka, Michael A.

2017-01-01

Objective The aim of this study was to evaluate the effect of polymer carrier, hot melt extrusion (HME) and downstream processing parameters on the water uptake properties of amorphous solid dispersions. Methods Three polymers and a model drug were used to prepare amorphous solid dispersions utilizing HME technology. The sorption-desorption isotherms of solid dispersions and their physical mixtures were measured by the Dynamic Vapor Sorption system, and the effect of polymer hydrophobicity, hygroscopicity, molecular weight and the HME process were investigated. FTIR imaging was performed to understand the phase separation driven by the moisture. Key findings Solid dispersions with polymeric carriers with lower hydrophilicity, hygroscopicity, and higher molecular weight could sorb less moisture under the high RH conditions. The water uptake ability of polymer-drug solid dispersion systems were decreased compared to the physical mixture after HME, which might be due to the decreased surface area and porosity. The FTIR imaging indicated the homogeneity of the drug molecularly dispersed within the polymer matrix was changed after exposure to high RH. Conclusion Understanding the effect of formulation and processing on the moisture sorption properties of solid dispersions is essential for the development of drug products with desired physical and chemical stability. PMID:26589107

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.

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.

U-Series Disequilibria across the New Southern Ocean Mantle Province, Australian-Antarctic Ridge

NASA Astrophysics Data System (ADS)

Scott, S. R.; Sims, K. W. W.; Park, S. H.; Langmuir, C. H.; Lin, J.; Kim, S. S.; Blichert-Toft, J.; Michael, P. J.; Choi, H.; Yang, Y. S.

2017-12-01

Mid-ocean ridge basalts (MORB) provide a unique window into the temporal and spatial scales of mantle evolution. Long-lived radiogenic isotopes in MORB have demonstrated that the mantle contains many different chemical components or "flavors". U-series disequilibria in MORB have further shown that different chemical components/lithologies in the mantle contribute differently to mantle melting processes beneath mid-ocean ridges. Recent Sr, Nd, Hf, and Pb isotopic analyses from newly collected basalts along the Australian-Antarctic Ridge (AAR) have revealed that a large distinct mantle province exists between the Australian-Antarctic Discordance and the Pacific-Antarctic Ridge, extending from West Antarctica and Marie Byrd Land to New Zealand and Eastern Australia (Park et al., submitted). This southern mantle province is located between the Indian-type mantle and the Pacific-type mantle domains. U-series measurements in the Southeast Indian Ridge and East Pacific Rise provinces show distinct signatures suggestive of differences in melting processes and source lithology. To examine whether the AAR mantle province also exhibits different U-series systematics we have measured U-Th-Ra disequilibria data on 38 basalts from the AAR sampled along 500 km of ridge axis from two segments that cross the newly discovered Southern Ocean Mantle province. We compare the data to those from nearby ridge segments show that the AAR possesses unique U-series disequilibria, and are thus undergoing distinct mantle melting dynamics relative to the adjacent Pacific and Indian ridges. (230Th)/(238U) excesses in zero-age basalts (i.e., those with (226Ra)/(230Th) > 1.0) range from 1.3 to 1.7, while (226Ra)/(230Th) ranges from 1.0 to 2.3. (226Ra)/(230Th) and (230Th)/(238U) are negatively correlated, consistent with the model of mixing between deep and shallow melts. The AAR data show higher values of disequilibria compared to the Indian and Pacific Ridges, which can be explained by either lower melting rates and porosities, or a higher gt/cpx ratio in their mantle source. That both long-lived radiogenic isotopes and U-series disequilibria are distinct in these three adjacent mantle provinces suggests that lithological differences are strongly influencing the melting process beneath each of these mid-ocean ridges.

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.

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).

Thermal Assessment of a Latent-Heat Energy Storage Module During Melting and Freezing for Solar Energy Applications

NASA Astrophysics Data System (ADS)

Ramos Archibold, Antonio

Capital investment reduction, exergetic efficiency improvement and material compatibility issues have been identified as the primary techno-economic challenges associated, with the near-term development and deployment of thermal energy storage (TES) in commercial-scale concentrating solar power plants. Three TES techniques have gained attention in the solar energy research community as possible candidates to reduce the cost of solar-generated electricity, namely (1) sensible heat storage, (2) latent heat (tank filled with phase change materials (PCMs) or encapsulated PCMs packed in a vessel) and (3) thermochemical storage. Among these the PCM macro-encapsulation approach seems to be one of the most-promising methods because of its potential to develop more effective energy exchange, reduce the cost associated with the tank and increase the exergetic efficiency. However, the technological barriers to this approach arise from the encapsulation techniques used to create a durable capsule, as well as an assessment of the fundamental thermal energy transport mechanisms during the phase change. A comprehensive study of the energy exchange interactions and induced fluid flow during melting and solidification of a confined storage medium is reported in this investigation from a theoretical perspective. Emphasis has been placed on the thermal characterization of a single constituent storage module rather than an entire storage system, in order to, precisely capture the energy exchange contributions of all the fundamental heat transfer mechanisms during the phase change processes. Two-dimensional, axisymmetric, transient equations for mass, momentum and energy conservation have been solved numerically by the finite volume scheme. Initially, the interaction between conduction and natural convection energy transport modes, in the absence of thermal radiation, is investigated for solar power applications at temperatures (300--400°C). Later, participating thermal radiation within the storage medium has been included in order to extend the conventional natural convection-dominated model and to analyze its influence on the melting and freezing dynamics at elevated temperatures (800-850°C). A parametric analysis has been performed in order to ascertain the effects of the controlling parameters on the melting/freezing rates and the total and radiative heat transfer rates at the inner surface of the shell. The results show that the presence of thermal radiation enhances the melting and solidification processes. Finally, a simplified model of the packed bed heat exchanger with multiple spherical capsules filled with the storage medium and positioned in a vertical array inside a cylindrical container is analyzed and numerically solved. The influence of the inlet mass flow rate, inner shell surface emissivity and PCM attenuation coefficient on the melting dynamics of the PCM has been analyzed and quantified.

Blown film extrusion of poly(lactic acid) without melt strength enhancers

Treesearch

Sonal S. Karkhanis; Nicole M. Stark; Ronald C. Sabo; Laurent M. Matuana

2017-01-01

Processing strategies were developed to manufacture poly(lactic acid) (PLA) blown films without melt strength enhancers (MSEs). The effects of processing temperature on PLA’s melt properties (shear and elongational viscosities), PLA grades, and other processing conditions [ratio of take-up roller to extruder’s rotational screw speeds or processing speed ratio (PSR) and...

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

Middleton, L. Robert; Tarver, Jacob D.; Cordaro, Joseph

Melt state dynamics for a series of strictly linear polyethylenes with precisely spaced associating functional groups were investigated. The periodic pendant acrylic acid groups form hydrogen-bonded acid aggregates within the polyethylene (PE) matrix. The dynamics of these nanoscale heterogeneous morphologies were investigated from picosecond to nanosecond timescales by both quasi-elastic neutron scattering (QENS) measurements and fully atomistic molecular dynamics (MD) simulations. Two dynamic processes were observed. The faster dynamic processes which occur at the picosecond timescales are compositionally insensitive and indicative of spatially restricted local motions. The slower dynamic processes are highly composition dependent and indicate the structural relaxation ofmore » the polymer backbone. Higher acid contents, or shorter PE spacers between pendant acid groups, slow the structural relaxation timescale and increase the stretching parameter (β) of the structural relaxation. Additionally, the dynamics of specific hydrogen atom positions along the backbone correlate structural heterogeneity imposed by the associating acid groups with a mobility gradient along the polymer backbone. At time intervals (<2 ns), the mean-squared displacements for the four methylene groups closest to the acid groups are up to 10 times smaller than those of methylene groups further from the acid groups. At longer timescales acid aggregates rearrange and the chain dynamics of the slow, near-aggregate regions and the faster bridge regions converge, implying a characteristic timescale for the passage of chains between aggregates. As a result, the characterization of the nanoscale chain dynamics in these associating polymer systems both provides validation of simulation force fields and provides understanding of heterogeneous chain dynamics in associating polymers.« less

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

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.

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.

In situ observations of bubble growth in basaltic, andesitic and rhyodacitic melts

NASA Astrophysics Data System (ADS)

Masotta, M.; Ni, H.; Keppler, H.

2014-02-01

Bubble growth strongly affects the physical properties of degassing magmas and their eruption dynamics. Natural samples and products from quench experiments provide only a snapshot of the final state of volatile exsolution, leaving the processes occurring during its early stages unconstrained. In order to fill this gap, we present in situ high-temperature observations of bubble growth in magmas of different compositions (basalt, andesite and rhyodacite) at 1,100 to 1,240 °C and 0.1 MPa (1 bar), obtained using a moissanite cell apparatus. The data show that nucleation occurs at very small degrees of supersaturaturation (<60 MPa in basalt and andesite, 200 MPa in rhyodacite), probably due to heterogeneous nucleation of bubbles occurring simultaneously with the nucleation of crystals. During the early stages of exsolution, melt degassing is the driving mechanism of bubble growth, with coalescence becoming increasingly important as exsolution progresses. Ostwald ripening occurs only at the end of the process and only in basaltic melt. The average bubble growth rate ( G R) ranges from 3.4 × 10-6 to 5.2 × 10-7 mm/s, with basalt and andesite showing faster growth rates than rhyodacite. The bubble number density ( N B) at nucleation ranges from 7.9 × 104 mm-3 to 1.8 × 105 mm-3 and decreases exponentially over time. While the rhyodacite melt maintained a well-sorted bubble size distribution (BSD) through time, the BSDs of basalt and andesite are much more inhomogeneous. Our experimental observations demonstrate that bubble growth cannot be ascribed to a single mechanism but is rather a combination of many processes, which depend on the physical properties of the melt. Depending on coalescence rate, annealing of bubbles following a single nucleation event can produce complex bubble size distributions. In natural samples, such BSDs may be misinterpreted as resulting from several separate nucleation events. Incipient crystallization upon cooling of a magma may allow bubble nucleation already at very small degrees of supersaturation and could therefore be an important trigger for volatile release and explosive eruptions.

Effect of process parameters on the density and porosity of laser melted AlSi10Mg/SiC metal matrix composite

NASA Astrophysics Data System (ADS)

Famodimu, Omotoyosi H.; Stanford, Mark; Oduoza, Chike F.; Zhang, Lijuan

2018-06-01

Laser melting of aluminium alloy—AlSi10Mg has increasingly been used to create specialised products in various industrial applications, however, research on utilising laser melting of aluminium matrix composites in replacing specialised parts have been slow on the uptake. This has been attributed to the complexity of the laser melting process, metal/ceramic feedstock for the process and the reaction of the feedstock material to the laser. Thus, an understanding of the process, material microstructure and mechanical properties is important for its adoption as a manufacturing route of aluminium metal matrix composites. The effects of several parameters of the laser melting process on the mechanical blended composite were thus investigated in this research. This included single track formations of the matrix alloy and the composite alloyed with 5% and 10% respectively for their reaction to laser melting and the fabrication of density blocks to investigate the relative density and porosity over different scan speeds. The results from these experiments were utilised in determining a process window in fabricating near-fully dense parts.

Mediterranean Magmatism: Bimodal Melting Patterns Inferred By Numerical Models

NASA Astrophysics Data System (ADS)

Gogus, O.; Ueda, K.; Gerya, T.

2017-12-01

Melt production by the decompression melting of the asthenospheric mantle occurs in the course of the lithospheric foundering process. The magmatic imprints of such foundering process are often described as anorogenic magmatism and this is usually followed by the orogenic magmatism, related to the subduction events in the Mediterranean region. Here, by using numerical geodynamic experiments we explore various styles of magmatism, their interaction with each other and the amount of magma production in the ocean subduction to slab peel away/delamination configuration. Model results show that the early stage of the ocean subduction under the continental lithosphere is associated with the short pulse of wet melting-orogenic magmatism and then the melting process is mostly dominated by dry melting-anorogenic magmatism, until the slab break-off occurs. While the melt types mixes/alternates during the evolution of the model, the wet melting facilitates the production of dry melting because of its uprising and emplacement under the crust where dry melting is present. The melt production pattern and the amount does not change significantly with different depths of the slab break-off (160-200 km). Model results can explain the transition from the calc-alkaline to alkaline volcanism in the western Mediterranean (Alboran domain) where ocean subduction to delamination has been interpreted.

Aging and rejuvenation of active matter under topological constraints.

PubMed

Janssen, Liesbeth M C; Kaiser, Andreas; Löwen, Hartmut

2017-07-18

The coupling of active, self-motile particles to topological constraints can give rise to novel non-equilibrium dynamical patterns that lack any passive counterpart. Here we study the behavior of self-propelled rods confined to a compact spherical manifold by means of Brownian dynamics simulations. We establish the state diagram and find that short active rods at sufficiently high density exhibit a glass transition toward a disordered state characterized by persistent self-spinning motion. By periodically melting and revitrifying the spherical spinning glass, we observe clear signatures of time-dependent aging and rejuvenation physics. We quantify the crucial role of activity in these non-equilibrium processes, and rationalize the aging dynamics in terms of an absorbing-state transition toward a more stable active glassy state. Our results demonstrate both how concepts of passive glass phenomenology can carry over into the realm of active matter, and how topology can enrich the collective spatiotemporal dynamics in inherently non-equilibrium systems.

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

The Surface Layer of a Crystal and Its Specific Role in the Process of Melt Formation

NASA Astrophysics Data System (ADS)

Sobolev, R. N.

2018-04-01

A crystal becomes melted in a few stages. The structure of the crystal surface differs from that of its interior. Therefore, as its interior is gradually involved in the melting process, the phase transition temperature becomes higher. The melting point becomes constant when all atoms have the same number of unsaturated bonds.

Water circulation and global mantle dynamics: Insight from numerical modeling

NASA Astrophysics Data System (ADS)

Nakagawa, Takashi; Nakakuki, Tomoeki; Iwamori, Hikaru

2015-05-01

We investigate water circulation and its dynamical effects on global-scale mantle dynamics in numerical thermochemical mantle convection simulations. Both dehydration-hydration processes and dehydration melting are included. We also assume the rheological properties of hydrous minerals and density reduction caused by hydrous minerals. Heat transfer due to mantle convection seems to be enhanced more effectively than water cycling in the mantle convection system when reasonable water dependence of viscosity is assumed, due to effective slab dehydration at shallow depths. Water still affects significantly the global dynamics by weakening the near-surface oceanic crust and lithosphere, enhancing the activity of surface plate motion compared to dry mantle case. As a result, including hydrous minerals, the more viscous mantle is expected with several orders of magnitude compared to the dry mantle. The average water content in the whole mantle is regulated by the dehydration-hydration process. The large-scale thermochemical anomalies, as is observed in the deep mantle, is found when a large density contrast between basaltic material and ambient mantle is assumed (4-5%), comparable to mineral physics measurements. Through this study, the effects of hydrous minerals in mantle dynamics are very important for interpreting the observational constraints on mantle convection.

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.

Processes controlling surface, bottom and lateral melt of Arctic sea ice in a state of the art sea ice model.

PubMed

Tsamados, Michel; Feltham, Daniel; Petty, Alek; Schroeder, David; Flocco, Daniela

2015-10-13

We present a modelling study of processes controlling the summer melt of the Arctic sea ice cover. We perform a sensitivity study and focus our interest on the thermodynamics at the ice-atmosphere and ice-ocean interfaces. We use the Los Alamos community sea ice model CICE, and additionally implement and test three new parametrization schemes: (i) a prognostic mixed layer; (ii) a three equation boundary condition for the salt and heat flux at the ice-ocean interface; and (iii) a new lateral melt parametrization. Recent additions to the CICE model are also tested, including explicit melt ponds, a form drag parametrization and a halodynamic brine drainage scheme. The various sea ice parametrizations tested in this sensitivity study introduce a wide spread in the simulated sea ice characteristics. For each simulation, the total melt is decomposed into its surface, bottom and lateral melt components to assess the processes driving melt and how this varies regionally and temporally. Because this study quantifies the relative importance of several processes in driving the summer melt of sea ice, this work can serve as a guide for future research priorities. © 2015 The Author(s).

Melt pond fraction and spectral sea ice albedo retrieval from MERIS data - Part 1: Validation against in situ, aerial, and ship cruise data

NASA Astrophysics Data System (ADS)

Istomina, L.; Heygster, G.; Huntemann, M.; Schwarz, P.; Birnbaum, G.; Scharien, R.; Polashenski, C.; Perovich, D.; Zege, E.; Malinka, A.; Prikhach, A.; Katsev, I.

2015-08-01

The presence of melt ponds on the Arctic sea ice strongly affects the energy balance of the Arctic Ocean in summer. It affects albedo as well as transmittance through the sea ice, which has consequences for the heat balance and mass balance of sea ice. An algorithm to retrieve melt pond fraction and sea ice albedo from Medium Resolution Imaging Spectrometer (MERIS) data is validated against aerial, shipborne and in situ campaign data. The results show the best correlation for landfast and multiyear ice of high ice concentrations. For broadband albedo, R2 is equal to 0.85, with the RMS (root mean square) being equal to 0.068; for the melt pond fraction, R2 is equal to 0.36, with the RMS being equal to 0.065. The correlation for lower ice concentrations, subpixel ice floes, blue ice and wet ice is lower due to ice drift and challenging for the retrieval surface conditions. Combining all aerial observations gives a mean albedo RMS of 0.089 and a mean melt pond fraction RMS of 0.22. The in situ melt pond fraction correlation is R2 = 0.52 with an RMS = 0.14. Ship cruise data might be affected by documentation of varying accuracy within the Antarctic Sea Ice Processes and Climate (ASPeCt) protocol, which may contribute to the discrepancy between the satellite value and the observed value: mean R2 = 0.044, mean RMS = 0.16. An additional dynamic spatial cloud filter for MERIS over snow and ice has been developed to assist with the validation on swath data.

GPS-derived estimates of surface mass balance and ocean-induced basal melt for Pine Island Glacier ice shelf, Antarctica

NASA Astrophysics Data System (ADS)

Shean, David E.; Christianson, Knut; Larson, Kristine M.; Ligtenberg, Stefan R. M.; Joughin, Ian R.; Smith, Ben E.; Stevens, C. Max; Bushuk, Mitchell; Holland, David M.

2017-11-01

In the last 2 decades, Pine Island Glacier (PIG) experienced marked speedup, thinning, and grounding-line retreat, likely due to marine ice-sheet instability and ice-shelf basal melt. To better understand these processes, we combined 2008-2010 and 2012-2014 GPS records with dynamic firn model output to constrain local surface and basal mass balance for PIG. We used GPS interferometric reflectometry to precisely measure absolute surface elevation (zsurf) and Lagrangian surface elevation change (Dzsurf/ Dt). Observed surface elevation relative to a firn layer tracer for the initial surface (zsurf - zsurf0') is consistent with model estimates of surface mass balance (SMB, primarily snow accumulation). A relatively abrupt ˜ 0.2-0.3 m surface elevation decrease, likely due to surface melt and increased compaction rates, is observed during a period of warm atmospheric temperatures from December 2012 to January 2013. Observed Dzsurf/ Dt trends (-1 to -4 m yr-1) for the PIG shelf sites are all highly linear. Corresponding basal melt rate estimates range from ˜ 10 to 40 m yr-1, in good agreement with those derived from ice-bottom acoustic ranging, phase-sensitive ice-penetrating radar, and high-resolution stereo digital elevation model (DEM) records. The GPS and DEM records document higher melt rates within and near features associated with longitudinal extension (i.e., transverse surface depressions, rifts). Basal melt rates for the 2012-2014 period show limited temporal variability despite large changes in ocean temperature recorded by moorings in Pine Island Bay. Our results demonstrate the value of long-term GPS records for ice-shelf mass balance studies, with implications for the sensitivity of ice-ocean interaction at PIG.

A Modeling Approach to Fiber Fracture in Melt Impregnation

NASA Astrophysics Data System (ADS)

Ren, Feng; Zhang, Cong; Yu, Yang; Xin, Chunling; Tang, Ke; He, Yadong

2017-02-01

The effect of process variables such as roving pulling speed, melt temperature and number of pins on the fiber fracture during the processing of thermoplastic based composites was investigated in this study. The melt impregnation was used in this process of continuous glass fiber reinforced thermoplastic composites. Previous investigators have suggested a variety of models for melt impregnation, while comparatively little effort has been spent on modeling the fiber fracture caused by the viscous resin. Herein, a mathematical model was developed for impregnation process to predict the fiber fracture rate and describe the experimental results with the Weibull intensity distribution function. The optimal parameters of this process were obtained by orthogonal experiment. The results suggest that the fiber fracture is caused by viscous shear stress on fiber bundle in melt impregnation mold when pulling the fiber bundle.

Partial Melting of the Indarch (EH4) Meteorite : A Textural, Chemical and Phase Relations View of Melting and Melt Migration

NASA Technical Reports Server (NTRS)

McCoy, Timothy J.; Dickinson, Tamara L.; Lofgren, Gary E.

2000-01-01

To Test whether Aubrites can be formed by melting of enstatite Chondrites and to understand igneous processes at very low oxygen fugacities, we have conducted partial melting experiments on the Indarch (EH4) chondrite at 1000-1500 C. Silicate melting begins at 1000 C. Substantial melt migration occurs at 1300-1400 C and metal migrates out of the silicate change at 1450 C and approx. 50% silicate partial melting. As a group, our experiments contain three immiscible metallic melts 9Si-, and C-rich), two immiscible sulfide melts(Fe-and FeMgMnCa-rich) and Silicate melt. Our partial melting experiments on the Indarch (EH4) enstatite Chondrite suggest that igneous processes at low fO2 exhibit serveral unique features. The complete melting of sulfides at 1000 C suggest that aubritic sulfides are not relicts. Aubritic oldhamite may have crystallized from Ca and S complexed in the silicate melt. Significant metal-sulfide melt migration might occur at relatively low degrees of silicate partial melting. Substantial elemental exchange occurred between different melts (e.g., between sulfide and silicate, Si between silicate and metal), a feature not observed during experiments at higher fO2. This exchange may help explain the formation of aubrites from known enstatite chondrites.

Microbial cell retention in a melting High Arctic snowpack, Svalbard

NASA Astrophysics Data System (ADS)

Zarsky, Jakub; Björkman, Mats; Kühnel, Rafael; Hell, Katherina; Hodson, Andy; Sattler, Birgit; Psenner, Roland

2014-05-01

Introduction The melting snow pack represents a highly dynamic system not only for chemical compounds but also for bacterial cells. Microbial activity was found at subzero temperatures in ice veins when liquid water persists due to high concentration of ions on the surface of snow crystals and brine channels between large ice crystals in ice. Several observations also suggest microbial activity under subzero temperatures in seasonal snow. Even with regard to the spatial and temporal relevance of snow ecosystems, microbial activity in such an extreme habitat represents a relatively small proportion in the carbon flux of the global ecosystem and even of the glacial ecosystems specifically. On the other hand, it represents a remarkable piece of mosaic of the microbial activity in glacial ecosystems because the snow pack represents the first contact between the atmosphere and cryosphere. This topic also embodies vital crossovers to biogeochemistry and ecotoxicology, offering a quantitative view of utilization of various substrates relevant for downstream ecosystems. Here we present our study of the dynamics of both solvents and cells suspended in meltwater of the melting snowpack on a high arctic glacier to demonstrate the spatio-temporal constraint of interaction between solvent and bacterial cells in this environment. Method We used 6 lysimeters inserted into the bottom of the snowpack to collect replicated samples of melt water before it comes into contact with basal ice or slush layer at the base of the snow pack. The sampling site was chosen at Midre Lovénbreen (Svalbard, Kongsfjorden, MLB stake 6) where the snow pack showed melting on the surface but the basal ice was still dry. Sampling was conducted in June 2010 for a period of 10 days once per day and the snow profile was sampled according to distinguished layers in the profile at the beginning of the field mission and as bulk at its end. The height of snow above the lysimeters dropped from the initial 74 cm to the final 38 cm. The major ion composition (IC), pH, conductivity and cell abundances were measured. Results and conlusions The removal of microbial cells from a high arctic snowpack resembles an elution sequence similar to that of hydrophobic compounds a process that helps glaciers retain a microbial biomass upon their surface, even after the demise of the snow cover. The snowpack and the glacier surface therefore act as an accumulator of cells during the melt season. This suggests that wet snowpacks, even on the surface of high arctic glaciers, are likely to be dynamic ecosystems in their own right. In our study, a clear ion elution sequence was observed that resembled earlier reports and caused high concentrations of ions in snowpack runoff at the start of the snow melt, which rapidly decreased as snow melt proceeded. Chloride, sulfate, nitrate, sodium and potassium experienced a 50 % elution before 20 - 25 % of the snowpack water content was lost. By contrast, cell removal only reached the 50 % level after ~70 % snowpack depletion. In contrast to our expectations, the calculated cell budget between the initial and final snowpack (including the cell loss by elution), revealed a significant increase of the total cell numbers, i.e. more than twice the original number. Assuming aeolian deposition processes to be low, this suggests cell proliferation as a contribution to the observed "retention effect". Precipitation was the major cell contributor to the snowpack upon Midtre Lovénbreen. An overall low cell concentration was therefore found within the snowpack stratigraphy, where snow layers frequently showed cell abundances similar to those of cloud water. This was in contrast to the nearby and more wind exposed sites examined in the Kongsfjorden area in 2007. However, layers of higher dust deposition were concomitant with one order of magnitude higher cell abundances, indicating that wind dispersal from locally exposed rocks supplements the atmospheric cell input.

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.

Calderas and magma reservoirs

NASA Astrophysics Data System (ADS)

Cashman, Katharine V.; Giordano, Guido

2014-11-01

Large caldera-forming eruptions have long been a focus of both petrological and volcanological studies; petrologists have used the eruptive products to probe conditions of magma storage (and thus processes that drive magma evolution), while volcanologists have used them to study the conditions under which large volumes of magma are transported to, and emplaced on, the Earth's surface. Traditionally, both groups have worked on the assumption that eruptible magma is stored within a single long-lived melt body. Over the past decade, however, advances in analytical techniques have provided new views of magma storage regions, many of which provide evidence of multiple melt lenses feeding a single eruption, and/or rapid pre-eruptive assembly of large volumes of melt. These new petrological views of magmatic systems have not yet been fully integrated into volcanological perspectives of caldera-forming eruptions. Here we explore the implications of complex magma reservoir configurations for eruption dynamics and caldera formation. We first examine mafic systems, where stacked-sill models have long been invoked but which rarely produce explosive eruptions. An exception is the 2010 eruption of Eyjafjallajökull volcano, Iceland, where seismic and petrologic data show that multiple sills at different depths fed a multi-phase (explosive and effusive) eruption. Extension of this concept to larger mafic caldera-forming systems suggests a mechanism to explain many of their unusual features, including their protracted explosivity, spatially variable compositions and pronounced intra-eruptive pauses. We then review studies of more common intermediate and silicic caldera-forming systems to examine inferred conditions of magma storage, time scales of melt accumulation, eruption triggers, eruption dynamics and caldera collapse. By compiling data from large and small, and crystal-rich and crystal-poor, events, we compare eruptions that are well explained by simple evacuation of a zoned magma chamber (termed the Standard Model by Gualda and Ghiorso, 2013) to eruptions that are better explained by tapping multiple, rather than single, melt lenses stored within a largely crystalline mush (which we term complex magma reservoirs). We then discuss the implications of magma storage within complex, rather than simple, reservoirs for identifying magmatic systems with the potential to produce large eruptions, and for monitoring eruption progress under conditions where successive melt lenses may be tapped. We conclude that emerging views of complex magma reservoir configurations provide exciting opportunities for re-examining volcanological concepts of caldera-forming systems.

Linking Upper Mantle Processes and Long-wavelength Topographic Swells in Cenozoic Africa

NASA Astrophysics Data System (ADS)

Nixon, S.; Maclennan, J.; White, N.; Fishwick, S.

2008-12-01

The topography of present day Africa is influenced by two different wavelengths of dynamic support. The South African Superplume sits beneath Sub-equatorial Africa and is thought to be supported by a lower mantle thermo-chemical anomaly. On a smaller scale a series of topographic domal swells, 1000km in diameter, occur across the continent. The swells are characterised by elevated dynamic topography, a positive long-wavelength gravity anomaly and a negative velocity perturbation from a higher mode surface wave tomography model. In addition, where the lithosphere is thinner than 100km, the swells are capped with volcanic products, erupted periodically since ~30 Ma. These areas include the Cameroon Volcanic line, Hoggar, Tibesti and Darfur in North Africa, and the Ethiopian Plateau and the Kenyan dome found along the East African Rift system. The given relationships suggest the domal swells result from and are supported by upper mantle convection. In order to investigate these relationships a database of 3000 geochemical analyses has been assembled for Cenozoic African volcanism, from both literature search and by new analyses of samples collected from the Al Haruj volcanic field in Libya. Incompatible trace element ratios and REE trends from primitive basalts (>7wt% MgO) erupted less then 10Ma, representing the products of mantle melting, are compared with the upper mantle velocity structure. At depths of 75-100km the greatest velocity perturbation is associated with the Afar/Ethiopia region, where as smaller perturbations are found beneath the North African swells of Hoggar, Tibesti and Darfur. The comparison of absolute velocities, taken from the higher mode tomography model, with trace element ratios has found the low seismic velocity Afar/Ethiopia region to have shallow melting at high melt fractions (La/Yb~9) whereas North African swells with faster seismic velocities at 100 km depth, show deeper melting with smaller melt fractions (La/Yb~30). This positive correlation continues to depths of 150km and is believed to represent variations in mantle potential temperature beneath the African continent. With further modelling of major, trace and REE data we hope to provide insights into variations in mantle potential temperature, melt fraction and velocity structure beneath the topographic swells across the African continent.

Investigating the impact of temporal and spatial variation in spring snow melt on summer soil respiration

NASA Astrophysics Data System (ADS)

John, G. P.; Papuga, S. A.; Wright, C. L.; Nelson, K.; Barron-Gafford, G. A.

2010-12-01

While soil respiration - the flux of carbon dioxide from the soil surface to the atmosphere - is the second largest terrestrial carbon flux, it is the least well constrained component of the terrestrial carbon cycle. This is in part because of its high variability in space and time that can become amplified under certain environmental conditions. Under current climate change scenarios, both summer and winter precipitation are expected to be altered in terrestrial ecosystems of the southwestern US. Precipitation magnitude and intensity influence soil moisture, which is a key control on ecosystem-scale respiration rates. Therefore understanding how changes in snow and rainfall translate to changes in soil moisture is critical to understanding climate change impacts on soil respiration processes. Our study took place within the footprint of a semiarid mixed-conifer flux measurement system on Mount Bigelow just north of Tucson, AZ. We analyzed images from three understory phenology cameras (pheno-cams) to identify areas that represented early and late snowmelt. Within the field of view of each of the three pheno-cams we established three early-melt and three late-melt soil respiration measurement “sites”. To understand the persistence of snowmelt conditions on summer soil respiration, we measured soil respiration, soil moisture, and soil temperature at all six sites on four days representing different summer periods (i.e. pre-monsoon, early monsoon, mid-monsoon, and late monsoon). Throughout the entire study period, at both early- and late-melt sites soil respiration was strongly correlated with amount of soil moisture, and was less responsive to temperature. Soil respiration generally increased throughout the rainy season, peaking by mid-monsoon at both early- and late-melt sites. Interestingly, early-melt sites were wetter than late-melt sites following rainfall occurring in the pre- and early monsoon. However, following rainfall occurring in the mid- to late monsoon, late-melt sites were wetter than early-melt sites. These preliminary results are an important step toward understanding the role that temporal and spatial variations in snow cover, which will undoubtedly be impacted by climate change, play in the carbon dynamics of these semiarid mountain environments.

Characterization of frictional melting processes in subduction zone faults by trace element and isotope analyses

NASA Astrophysics Data System (ADS)

Ishikawa, T.; Ujiie, K.

2017-12-01

Pseudotachylytes found in exhumed accretionary complexes, which are considered to be formed originally at seismogenic depths, are of great importance for elucidating frictional melting and concomitant dynamic weakening of the fault during earthquake in subduction zones. However, fluid-rich environment of the subduction zone faults tends to cause extensive alteration of the pseudotachylyte glass matrix in later stages, and thus it has been controversial that pseudotachylytes are rarely formed or rarely preserved. Chemical analysis of the fault rocks, especially on fluid-immobile trace elements and isotopes, can be a useful means to identify and quantify the frictional melting occurred in subduction zone faults. In this paper, we report major and trace element and Sr isotope compositions for pseudotachylyte-bearing dark veins and surrounding host rocks from the Mugi area of the Shimanto accretionary complex (Ujiie et al., J. Struct. Geol. 2007). Samples were collected from a rock chip along the microstructure using a micro-drilling technique, and then analyzed by ICP-MS and TIMS. Major element compositions of the dark veins showed a clear shift from the host rock composition toward the illite composition. The dark veins, either unaltered or completely altered, were also characterized by extreme enrichment in some of the trace elements such as Ti, Zr, Nb and Th. These results are consistent with disequilibrium melting of the fault zone. Model calculations revealed that the compositions of the dark veins can be produced by total melting of clay-rich matrix in the source rock, leaving plagioclase and quartz grains almost unmolten. The calculations also showed that the dark veins are far more enriched in melt component than that expected from the source rock compositions, suggesting migration and concentration of frictional melt during the earthquake faulting. Furthermore, Sr isotope data of the dark veins implied the occurrence of frictional melting in multiple stages. These results demonstrate that trace element and isotope analyses are useful not only to detect preexistence of pseudotachylytes but also to evaluate the frictional melting in subduction zone faults quantitatively.

The structural properties of PbF2 by molecular dynamics

NASA Astrophysics Data System (ADS)

Chergui, Y.; Nehaoua, N.; Telghemti, B.; Guemid, S.; Deraddji, N. E.; Belkhir, H.; Mekki, D. E.

2010-08-01

This work presents the use of molecular dynamics (MD) and the code of Dl_Poly, in order to study the structure of fluoride glass after melting and quenching. We are realized the processing phase liquid-phase, simulating rapid quenching at different speeds to see the effect of quenching rate on the operation of the devitrification. This technique of simulation has become a powerful tool for investigating the microscopic behaviour of matter as well as for calculating macroscopic observable quantities. As basic results, we calculated the interatomic distance, angles and statistics, which help us to know the geometric form and the structure of PbF2. These results are in experimental agreement to those reported in literature.

Multiphase Equations of State for Polymer Materials at High Dynamic Pressures

NASA Astrophysics Data System (ADS)

Khishchenko, Konstantin V.

2015-06-01

Equations of state for materials over a wide range of pressures and temperatures are necessary for numerical simulations of shock-wave processes in condensed matter. Accuracy of calculation results is determined mainly by adequacy of equation of state of a medium. In this work, a new multiphase equation-of-state model is proposed with taking into account the polymorphic phase transformations, melting and evaporation. Thermodynamic calculations are carried out for 2 polymer materials (polymethylmethacrylate and polytetrafluoroethylene) in a broad region of the phase diagram. Obtained results are presented in comparison with available data of experiments at high dynamic pressures in shock and release waves. This work is supported by RSF, Grant 14-50-00124.

Volcanic Lightning in the Laboratory: The Effect of Ultra-Rapid Melting on Ash Particles

NASA Astrophysics Data System (ADS)

Mueller, S.; Keller, F.; Helo, C.; Buhre, S.; Castro, J. M.

2016-12-01

Lightning discharge is a common process occurring at explosive volcanic eruptions. During the formation of ash plumes, the dynamical interaction of ash particles creates charges which can, given a sufficiently large charge gradient, cause lightning discharges within the plume (`plume lightning') or from ground to plume (`near-vent lightning'), respectively. Given the extreme heat release during the short duration of a discharge (potentially > 30.000 K), it is likely that the ash particles suspended in a plume are, in any form, affected by volcanic lightning. Genareau et al. (2015) found evidence of glass spherules and glass aggregates in ash deposits of two explosive eruptions (Eyjafjallajökull, Mt. Redoubt), and linked them to short-term melting processes induced by volcanic lightning (analogue to fulgurites). In order to systematically investigate the potential impact of lightning on air-suspended ash we have designed a new experimental setup. An electric arc between two electrodes is generated by a 400 Amp arc welding device. Ash-sized sample material is then blown into the established lightning arc, and a certain proportion of the injected silicate glasses and/or minerals is melted due to the high temperatures in and around the plasma channel. In a first set of experiments, we have used natural volcanic ash from Laacher See Tephra (Eifel, Germany) in distinct size fractions between 36 and 250 microns, in order to qualitatively investigate melting and amalgamation features. Spherule and aggregate textures similar to those reported by Genareau et al. (2015) were successfully reproduced during these experiments. In a second set of experiments, homogenized phonolitic glass fragments, in different size fractions, were subjected to the electric arc and subsequently analyzed under the EMP, in order to investigate effects of "flash melting" on major element glass chemistry. Genareau K, Wardman JB, Wilson TM, McNutt SR, Izbekov P (2015): Lightning-induced volcanic spherules. Geology, doi:10.1130/G36255.1

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.

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.

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.

A manifestation of the Ostwald step rule: molecular-dynamics simulations and free-energy landscape of the primary nucleation and melting of single-molecule polyethylene in dilute solution.

PubMed

Larini, L; Leporini, D

2005-10-08

The paper presents numerical results from extensive molecular-dynamics simulations of the crystallization process of a single polyethylene chain with N=500 monomers. The development of the ordered structure is seen to proceed along different routes involving either the global reorganization of the chain or, alternatively, well-separated connected nuclei. No dependence on the thermal history was observed at the late stages of the crystallization. The folding process involves several intermediate ordered metastable states, in strong analogy with the experiments, and ends up in a well-defined long-lived lamella with ten stems of approximately equal length, arranged into a regular, hexagonal pattern. This behavior may be seen as a microscopic manifestation of the Ostwald step rule. Both the metastable states and the long-lived one are evidenced as the local minima and the global one of the free-energy landscape, respectively. The study of the microscopic organization of the lamella evidenced that the two caps are rather flat, i.e., the loops connecting the stems are short. Interestingly, annealing the chain through the different metastable states leaves the average number of monomers per loop nearly unchanged. It is also seen that the chain ends, the so-called cilia, are localized on the surface of the lamella, in agreement with the experiments, and that structural fluctuations take place on the lamella surface, as noted by recent Monte Carlo simulations. The study of the melting process evidences that the degree of hysteresis is small.

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.

Compatibility of melt-processed zein blends with methylenediphenyl 4,4'-diisocyanate-thermal, mechanical and physical properties

USDA-ARS?s Scientific Manuscript database

Corn zein was melt-processed with methylenediphenyl 4,4'-diisocyanate (MDI) using triethylamine (TEA) as catalyst. The objective is to construct a melt-processed, compatible blend of zein with MDI that can be used as a building block for generating bio-based thermoplastics. The impact of cross-linki...

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.

Impact Cratering Calculations

NASA Technical Reports Server (NTRS)

Ahrens, Thomas J.

2001-01-01

This research is computational /theoretical and complements the Caltech experimental program. We have developed an understanding of the basic physical processes and produced computational models and implemented these into Eulerian and Lagrangian finite element codes. The key issues we have addressed include the conditions required for: faulting (strain localization), elastic moduli weakening, dynamic weakening (layering elastic instabilities and fluidization), bulking (creation of porosity at zero pressure) and compaction of pores, frictional melting (creation of pseudotachylytes), partial and selective devolatilization of materials (e.g. CaCO3, water/ice mixtures), and debris flows.

Effects of chemical composition and test conditions on the dynamic tensile response of Zr-based metallic glasses

NASA Astrophysics Data System (ADS)

Wang, F.; Laws, K.; Martinez, D.; Trujillo, C. P.; Brown, A. D.; Cerreta, E. K.; Hazell, P. J.; Ferry, M.; Quadir, M. Z.; Jiang, J.; Escobedo, J. P.

2017-01-01

The effects of impact velocity and temperature on the dynamic mechanical behavior of two bulk metallic (BMG) alloys with slightly different elemental compositions (Zr55Cu30Ni5Al30 and Zr46Cu38Ag8Al38) have been investigated. Bullet-shaped samples were accelerated by a gas gun to speeds in the 400˜600m/s range and tested at both room temperature and 250°C. The samples impacted steel extrusion dies which subjected the bullets to high strains at relatively high strain-rates. The extruded fragments were subsequently soft recovered by using low density foams and examined by means of optical/scanning electron microscopy and differential scanning calorimetry. It was found that shear banding was the dictating mechanism responsible for the fracture of all BMGs. At room temperature, the Zr55Cu30Ni5Al30 alloy exhibited a higher resistance to fragmentation than the Zr46Cu38Ag8Al38 alloy. At 250°C, significant melting was observed in the recovered fragments of both alloys, which indicates that the BMG glassy structure undergoes a melting process and deformation likely occurs homogeneously.

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

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.

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

3D printing of high-strength aluminium alloys

NASA Astrophysics Data System (ADS)

Martin, John H.; Yahata, Brennan D.; Hundley, Jacob M.; Mayer, Justin A.; Schaedler, Tobias A.; Pollock, Tresa M.

2017-09-01

Metal-based additive manufacturing, or three-dimensional (3D) printing, is a potentially disruptive technology across multiple industries, including the aerospace, biomedical and automotive industries. Building up metal components layer by layer increases design freedom and manufacturing flexibility, thereby enabling complex geometries, increased product customization and shorter time to market, while eliminating traditional economy-of-scale constraints. However, currently only a few alloys, the most relevant being AlSi10Mg, TiAl6V4, CoCr and Inconel 718, can be reliably printed; the vast majority of the more than 5,500 alloys in use today cannot be additively manufactured because the melting and solidification dynamics during the printing process lead to intolerable microstructures with large columnar grains and periodic cracks. Here we demonstrate that these issues can be resolved by introducing nanoparticles of nucleants that control solidification during additive manufacturing. We selected the nucleants on the basis of crystallographic information and assembled them onto 7075 and 6061 series aluminium alloy powders. After functionalization with the nucleants, we found that these high-strength aluminium alloys, which were previously incompatible with additive manufacturing, could be processed successfully using selective laser melting. Crack-free, equiaxed (that is, with grains roughly equal in length, width and height), fine-grained microstructures were achieved, resulting in material strengths comparable to that of wrought material. Our approach to metal-based additive manufacturing is applicable to a wide range of alloys and can be implemented using a range of additive machines. It thus provides a foundation for broad industrial applicability, including where electron-beam melting or directed-energy-deposition techniques are used instead of selective laser melting, and will enable additive manufacturing of other alloy systems, such as non-weldable nickel superalloys and intermetallics. Furthermore, this technology could be used in conventional processing such as in joining, casting and injection moulding, in which solidification cracking and hot tearing are also common issues.

3D printing of high-strength aluminium alloys.

PubMed

Martin, John H; Yahata, Brennan D; Hundley, Jacob M; Mayer, Justin A; Schaedler, Tobias A; Pollock, Tresa M

2017-09-20

Metal-based additive manufacturing, or three-dimensional (3D) printing, is a potentially disruptive technology across multiple industries, including the aerospace, biomedical and automotive industries. Building up metal components layer by layer increases design freedom and manufacturing flexibility, thereby enabling complex geometries, increased product customization and shorter time to market, while eliminating traditional economy-of-scale constraints. However, currently only a few alloys, the most relevant being AlSi10Mg, TiAl6V4, CoCr and Inconel 718, can be reliably printed; the vast majority of the more than 5,500 alloys in use today cannot be additively manufactured because the melting and solidification dynamics during the printing process lead to intolerable microstructures with large columnar grains and periodic cracks. Here we demonstrate that these issues can be resolved by introducing nanoparticles of nucleants that control solidification during additive manufacturing. We selected the nucleants on the basis of crystallographic information and assembled them onto 7075 and 6061 series aluminium alloy powders. After functionalization with the nucleants, we found that these high-strength aluminium alloys, which were previously incompatible with additive manufacturing, could be processed successfully using selective laser melting. Crack-free, equiaxed (that is, with grains roughly equal in length, width and height), fine-grained microstructures were achieved, resulting in material strengths comparable to that of wrought material. Our approach to metal-based additive manufacturing is applicable to a wide range of alloys and can be implemented using a range of additive machines. It thus provides a foundation for broad industrial applicability, including where electron-beam melting or directed-energy-deposition techniques are used instead of selective laser melting, and will enable additive manufacturing of other alloy systems, such as non-weldable nickel superalloys and intermetallics. Furthermore, this technology could be used in conventional processing such as in joining, casting and injection moulding, in which solidification cracking and hot tearing are also common issues.

R-HPDC Process with Forced Convection Mixing Device for Automotive Part of A380 Aluminum Alloy

PubMed Central

Zhou, Bing; Kang, Yonglin; Qi, Mingfan; Zhang, Huanhuan; Zhu, Guoming

2014-01-01

The continuing quest for cost-effective and complex shaped aluminum castings with fewer defects for applications in the automotive industries has aroused the interest in rheological high pressure die casting (R-HPDC). A new machine, forced convection mixing (FCM) device, based on the mechanical stirring and convection mixing theory for the preparation of semisolid slurry in convenience and functionality was proposed to produce the automotive shock absorber part by R-HPDC process. The effect of barrel temperature and rotational speed of the device on the grain size and morphology of semi-solid slurry were extensively studied. In addition, flow behavior and temperature field of the melt in the FCM process was investigated combining computational fluid dynamics simulation. The results indicate that the microstructure and pore defects at different locations of R-HPDC casting have been greatly improved. The vigorous fluid convection in FCM process has changed the temperature field and composition distribution of conventional solidification. Appropriately increasing the rotational speed can lead to a uniform temperature filed sooner. The lower barrel temperature leads to a larger uniform degree of supercooling of the melt that benefits the promotion of nucleation rate. Both of them contribute to the decrease of the grain size and the roundness of grain morphology. PMID:28788608

Numerical investigation of electromagnetic pulse welded interfaces between dissimilar metals

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

Xu, Wei; Sun, Xin

Electromagnetic pulse welding (EMPW), an innovative high-speed joining technique, is a potential method for the automotive industry in joining and assembly of dissimilar lightweight metals with drastically different melting temperatures and other thermal physical properties, such as thermal conductivity and thermal expansion coefficients. The weld quality of EMPW is significantly affected by a variety of interacting physical phenomena including large plastic deformation, materials mixing, localized heating and rapid cooling, possible localized melting and subsequent diffusion and solidification, micro-cracking and void, etc. In the present study, a thermo-mechanically coupled dynamic model has been developed to quantitatively resolve the high-speed impact joiningmore » interface characteristics as well as the process-induced interface temperature evolution, defect formation and possible microstructural composition variation. Reasonably good agreement has been obtained between the predicted results and experimental measurements in terms of interfacial morphology characteristics. The modeling framework is expected to provide further understanding of the hierarchical interfacial features of the non-equilibrium material joining process and weld formation mechanisms involved in the EMPW operation, thus accelerating future development and deployment of this advanced joining technology.« less

Device and method for skull-melting depth measurement

DOEpatents

Lauf, R.J.; Heestand, R.L.

1993-02-09

A method of skull-melting comprises the steps of: (a) providing a vessel adapted for a skull-melting process, the vessel having an interior, an underside, and an orifice connecting the interior and the underside; (b) disposing a waveguide in the orifice so that the waveguide protrudes sufficiently into the interior to interact with the skull-melting process; (c) providing a signal energy transducer in signal communication with the waveguide; (d) introducing into the vessel a molten working material; (e) carrying out the skull-melting process so that a solidified skull of the working material is formed, the skull and the vessel having an interface therebetween, the skull becoming fused to the waveguide so the signal energy can be transmitted through the waveguide and the skull without interference from the interface; (f) activating the signal energy transducer so that a signal is propagated through the waveguide; and, (g) controlling at least one variable of the skull-melting process utilizing feedback information derived from the propagated signal energy.

Device and method for skull-melting depth measurement

DOEpatents

Lauf, Robert J.; Heestand, Richard L.

1993-01-01

A method of skull-melting comprises the steps of: a. providing a vessel adapted for a skull-melting process, the vessel having an interior, an underside, and an orifice in connecting the interior and the underside; b. disposing a waveguide in the orifice so that the waveguide protrudes sufficiently into the interior to interact with the skull-melting process; c. providing a signal energy transducer in signal communication with the waveguide; d. introducing into the vessel a molten working material; e. carrying out the skull-melting process so that a solidified skull of the working material is formed, the skull and the vessel having an interface therebetween, the skull becoming fused to the waveguide so the signal energy can be transmitted through the waveguide and the skull without interference from the interface; f. activating the signal energy transducer so that a signal is propagated through the waveguide; and, g. controlling at least one variable of the skull-melting process utilizing feedback information derived from the propagated signal energy.

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

Comparing eruptions of varying intensity at Kilauea via melt inclusion analysis

NASA Astrophysics Data System (ADS)

Ferguson, D. J.; Plank, T. A.; Hauri, E. H.; Houghton, B. F.; Gonnermann, H. M.; Swanson, D. A.; Blaser, A. P.

2013-12-01

Over the past 500 years explosive summit eruptions from Kilauea volcano, Hawaii, have exhibited a range of eruption magnitudes, from large basaltic sub-plinian events to Hawaiian lava fountains of various intensity. Knowledge of the factors controlling such dramatic changes in explosivity and mass discharge rate is vital for understanding the dynamics of explosive basaltic magma systems, but these remain poorly constrained. At Kilauea this information also has important implications for hazard assessment, as future eruptions may be far larger than those observed historically. To investigate the processes associated with eruptions of varying magnitudes we have analyzed the composition and dissolved volatile contents (H2O-CO2-S-Cl-F) of olivine-hosted melt inclusions, sampled from tephra deposits associated with three eruptions of different sizes: a moderate lava-fountain (1959 Episode of Kilauea Iki); an exceptionally high lava-fountain (1500 CE Keanakāko'i reticulite) and a basaltic sub-plinian eruption (1650 CE Keanakāko'i layer 6 scoria). Over this time period (~500 years) we find no major shifts in the major element composition of primary melts feeding the Kilauea magmatic system, and melt inclusions from all eruptions record similar maximum water (~0.7 wt% H2O) and CO2 (~300 ppm) contents, regardless of eruption magnitude. Co-variations between other volatile species, such as CO2 and S, do not support a role for excess volatiles (i.e. CO2) in the larger eruptions via ';gas-fluxing'. Our data therefore suggests that major shifts in eruptive magnitude are unlikely to be linked to either changes in the primary volatile content of the melts or excess gas supplied by open-system degassing of deeper melts. Rather we find evidence for significant variations in the shallow degassing behavior of magmas associated with the larger Keanakāko'i eruptions (sub-plinian and strong lava-fountaining events) compared to that from less vigorous moderate Kilauea Iki lava-fountaining events. On plots of CO2 versus H2O, Kilauea Iki MI's record volatile contents consistent with equilibrium degassing of magma rising from a depth of ~3 km. In contrast, the volatile contents of melts from the more explosive eruptions appear to be strongly affected by degassing processes at shallow depths (< 300 m), indicating variations in the ascent and storage of melts over this time-period. These changes in storage conditions may be linked to variations in the depth of the summit caldera, which was significantly greater during the older more explosive eruptive phases.

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.

Unusually loud ambient noise in tidewater glacier fjords: a signal of ice melt

USGS Publications Warehouse

Pettit, Erin C.; Lee, Kevin M.; Brann, Joel P.; Nystuen, Jeffrey A.; Wilson, Preston S.; O'Neel, Shad

2015-01-01

In glacierized fjords, the ice-ocean boundary is a physically and biologically dynamic environment that is sensitive to both glacier flow and ocean circulation. Ocean ambient noise offers insight into processes and change at the ice-ocean boundary. Here we characterize fjord ambient noise and show that the average noise levels are louder than nearly all measured natural oceanic environments (significantly louder than sea ice and non-glacierized fjords). Icy Bay, Alaska has an annual average sound pressure level of 120 dB (re 1 μPa) with a broad peak between 1000 and 3000 Hz. Bubble formation in the water column as glacier ice melts is the noise source, with variability driven by fjord circulation patterns. Measurements from two additional fjords, in Alaska and Antarctica, support that this unusually loud ambient noise in Icy Bay is representative of glacierized fjords. These high noise levels likely alter the behavior of marine mammals.

Strategies for the coupling of global and local crystal growth models

NASA Astrophysics Data System (ADS)

Derby, Jeffrey J.; Lun, Lisa; Yeckel, Andrew

2007-05-01

The modular coupling of existing numerical codes to model crystal growth processes will provide for maximum effectiveness, capability, and flexibility. However, significant challenges are posed to make these coupled models mathematically self-consistent and algorithmically robust. This paper presents sample results from a coupling of the CrysVUn code, used here to compute furnace-scale heat transfer, and Cats2D, used to calculate melt fluid dynamics and phase-change phenomena, to form a global model for a Bridgman crystal growth system. However, the strategy used to implement the CrysVUn-Cats2D coupling is unreliable and inefficient. The implementation of under-relaxation within a block Gauss-Seidel iteration is shown to be ineffective for improving the coupling performance in a model one-dimensional problem representative of a melt crystal growth model. Ideas to overcome current convergence limitations using approximations to a full Newton iteration method are discussed.

Multi scale modeling of ignition and combustion of micro and nano aluminum particles

NASA Astrophysics Data System (ADS)

Puri, Puneesh

With renewed interest in nano scale energetic materials like aluminum, many fundamental issues concerning the ignition and combustion characteristics at nano scales, remain to be clarified. The overall aim of the current study is the establishment of a unified theory accommodating the various processes and mechanisms involved in the combustion and ignition of aluminum particles at micro and nano scales. A comprehensive review on the ignition and combustion of aluminum particles at multi scales was first performed identifying various processes and mechanisms involved. Research focus was also placed on the establishment of a Molecular Dynamics (MD) simulation tool to investigate the characteristics of nano-particulate aluminum through three major studies. The general computational framework involved parallelized preprocessing, post-processing and main code with capability to simulate different ensembles using appropriate algorithms. Size dependence of melting temperature of pure aluminum particles was investigated in the first study. Phenomena like dynamic coexistence of solid and liquid phase and effect of surface charges on melting were explored. The second study involved the study of effect of defects in the form of voids on melting of bulk and particulate phase aluminum. The third MD study was used to analyze the thermo-mechanical behavior of nano-sized aluminum particles with total diameter of 5-10 nm and oxide thickness of 1-2.5 nm. The ensuing solid-solid and solid-liquid phase changes in the core and shell, stresses developed within the shell, and the diffusion of aluminum cations in the oxide layer, were explored in depth for amorphous and crystalline oxide layers. In the limiting case, the condition for pyrophoricity/explosivity of nano-particulate aluminum was analyzed and modified. The size dependence of thermodynamic properties at nano scales were considered and incorporated into the existing theories developed for micro and larger scales. Finally, a phenomenological theory for ignition and combustion of aluminum particles was proposed. The whole time history from ignition till particle burnout was divided into five stages. An attempt was made to explore different modes of ignition based on the effect of pressure, temperature, oxidizer, oxide thickness and particle diameter and was investigated using length and time scales involved during ignition and combustion.

Opportunities and challenges to conserve water on the landscape in snow-dominated forests: The quest for the radiative minima and more...

NASA Astrophysics Data System (ADS)

Link, T. E.; Kumar, M.; Pomeroy, J. W.; Seyednasrollah, B.; Ellis, C. R.; Lawler, R.; Essery, R.

2012-12-01

In mountainous, forested environments, vegetation exerts a strong control on snowcover dynamics that affect ecohydrological processes, streamflow regimes, and riparian health. Snowcover deposition and ablation patterns in forests are controlled by a complex combination of canopy interception processes coupled with radiative and turbulent heat flux patterns related to topographic and canopy cover variations. In seasonal snow environments, snowcover ablation dynamics in forests are dominated by net radiation. Recent research indicates that in small canopy gaps a net radiation minima relative to both open and forested environments can occur, but depends strongly on solar angle, gap size, slope, canopy height and stem density. The optimal gap size to minimize radiation to snow was estimated to have a diameter between 1 and 2 times the surrounding vegetation height. Physically-based snowmelt simulations indicate that gaps may increase SWE and desynchronize snowmelt by approximately 3 weeks between north and south facing slopes, relative to undisturbed forests. On east and west facing slopes, small gaps cause melt to be slightly delayed relative to intact forests, and have a minimal effect on melt synchronicity between slopes. Recent research focused on canopy thinning also indicates that a net radiation minima occurs in canopies of intermediate densities. Physically-based radiative transfer simulations using a discrete tree-based model indicate that in mid-latitude level forests, the annually-integrated radiative minima occurs at a tree spacing of 2.65 relative to the canopy height. The radiative minima was found to occur in denser forests on south-facing slopes and sparser forests on north-facing slopes. The radiative minimums in thinned forests are controlled by solar angle, crown geometry and density, tree spacing, slope, and aspect. These results indicate that both gap and homogeneous forest thinning may be used to reduce snowmelt rates or alter melt synchronicity, but the exact configuration will be highly spatially variable. Development of management strategies to conserve water on the landscape to enhance forest and riparian health in a changing climate must also rigorously evaluate the effects of canopy thinning and specific hydrometeorological conditions on net radiation, turbulent fluxes, and snow interception processes.

Numerical Simulation of Two-Fluid Mingling Using the Particle Finite Element Method with Applications to Magmatic and Volcanic Processes

NASA Astrophysics Data System (ADS)

de Mier, M.; Costa, F.; Idelsohn, S.

2008-12-01

Many magmatic and volcanic processes (e.g., magma differentiation, mingling, transport in the volcanic conduit) are controlled by the physical properties and flow styles of high-temperature silicate melts. Such processes can be experimentally investigated using analog systems and scaling methods, but it is difficult to find the suitable material and it is generally not possible to quantitatively extrapolate the results to the natural system. An alternative means of studying fluid dynamics in volcanic systems is with numerical models. We have chosen the Particle Finite Element Method (PFEM), which is based on a Delaunay mesh that moves with the fluid velocity, the Navier-Stokes equations in Lagrangian formulation, and linear elements for velocity, pressure, and temperature. Remeshing is performed when the grid becomes too distorted [E. Oñate et al., 2004. The Particle Finite Element Method: An Overview. Int. J. Comput. Meth. 1, 267-307]. The method is ideal for tracking material interfaces between different fluids or media. Methods based on Eulerian reference frames need special techniques, such as level-set or volume-of-fluid, to capture the interface position, and these techniques add a significant numerical diffusion at the interface. We have performed a series of two-dimensional simulations of a classical problem of fluid dynamics in magmatic and volcanic systems: intrusion of a basaltic melt in a silica-rich magma reservoir. We have used realistic physical properties and equations of state for the silicate melts (e.g., temperature, viscosity, and density) and tracked the changes in the system for geologically relevant time scales (up to 100 years). The problem is modeled by the low-Mach-number equations derived from an asymptotic analysis of the compressible Navier-Stokes equations that removes shock waves from the flow but allows however large variations of density due to temperature variations. Non-constant viscosity and volume changes are taken into account in the momentum conservation equation through the full shear-stress tensor. The implications of different magma intrusion rates, volumes, and times will be discussed in the context of mafic-silicic magma mixing and eruption triggers.

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