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At least 505 records · Page 28

Multiphase representation of hotspot formation and growth

Multiphase reacting flow approach has been adopted for modeling of hotspot formation and growth on sub-zonal scale. Mechanical response of the high explosive (HE) is modeled by the Visco-Plastic SCRAM model which includes plastic work, crack growth, and frictional heating along the cracks. In this work a sub-zonal regions with high temperature, hotspots, are modeled as a new phase. Formation and growth of the hotspot phase from the cold phase is modeled as a phase change. Each phase has its own temperature and pressure. Chemical reactions also progress in both phases. The growth of hotspots are determined by the solution of the heat conduction equation with appropriate heat sources due to friction and plastic heating. Sample calculations using the BABBO code show successful detonation calculations with hotspot formation and growth.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling of Bulk Evaporation and Condensation

This report describes the modeling and mathematical formulation of the bulk evaporation and condensation involved in liquid-vapor phase change processes. An internal energy formulation, for these phase change processes that occur under the constraint of constant volume, was studied. Compared to the enthalpy formulation, the internal energy formulation has a more concise and compact form. The velocity and time scales of the interface movement were obtained through scaling analysis and verified by performing detailed numerical experiments. The convection effect induced by the density change was analyzed and found to be negligible compared to the conduction effect. Two iterative methods for updating the value of the vapor phase fraction, the energy based (E-based) and temperature based (T-based) methods, were investigated. Numerical experiments revealed that for the evaporation and condensation problems the E-based method is superior to the T-based method in terms of computational efficiency. The internal energy formulation and the E-based method were used to compute the bulk evaporation and condensation processes under different conditions. The evolution of the phase change processes was investigated. This work provided a basis for the modeling of thermal performance of multi-phase nuclear fuel elements under variable gravity conditions, in which the buoyancy convection due to gravity effects and internal heating are involved.

Anghaie, S.↗

Fluoropolymer Aging Assessments

Fluoropolymer (FP) binders are commonly only a few percent of polymer bonded explosive compositions but they are essential for the mechanical integrity of the part. Because we are using newly manufactured binders, we need to understand how lot variations might affect processing, aging, and mechanical properties. Time, temperature and radiation induce phase changes in fluoropolymers. These phase changes can rearrange the polymer causing crystalline domains to nucleate and grow that can alter mechanical properties. These studies quantify the aging process so that it may be cross correlated with changes in the adhesion, strength, and other properties important for performance.

36 MATERIALS SCIENCE↗

The interaction of interstellar gas with stellar density wave packets

We have numerically studied the interaction between interstellar gas and a gravitational perturbation produced by a fluctuation in the stellar mass distribution. For a simple equation of state, shock waves develop even if the gravitational perturbation is aperiodic and transient. In a medium which can change thermal phase, shocks do not form and the gas makes a transition directly to the cold, dense phase. The cold material has an anomalous velocity imparted to it by the gravitational perturbation and it becomes an accretion front moving through the hot gas and capturing it. The accretion fronts trigger thermal phase change on a large scale and can reproduce the extent of observed cold clouds. Furthermore their high mass is favorable to gravitational instability and subsequent star formation.

Baker, P. L.↗

Advanced solar receiver conceptual design study

High temperature solar dynamic Brayton and Stirling receivers are investigated as candidate electrical power generating systems for future LEO missions. These receivers are smaller and more efficient than conventional receivers, and they offer less structural complexity and fewer thermal stress problems. Use of the advanced Direct Absorption Storage Receiver allows many of the problems associated with working with high-volumetric-change phase-change materials to be avoided. A specific mass reduction of about 1/3 with respect to the baseline receiver has been realized.

Kesseli, J. B.↗

Performance characteristics of a thermal energy storage module - A transient PCM/forced convection conjugate analysis

The performance of a thermal energy storage module is simulated numerically. The change of phase of the phase-change material (PCM) and the transient forced convective heat transfer for the transfer fluid with low Prandtl numbers are solved simultaneously as a conjugate problem. A parametric study and a system optimization are conducted. The numerical results show that module geometry is crucial to the design of a space-based thermal energy storage system.

Cao, Y.↗

A PCM/forced convection conjugate transient analysis of energy storage systems with annular and countercurrent flows

Latent heat energy storage systems with both annular and countercurrent flows are modeled numerically. The change of phase of the phase-change material (PCM) and the transient forced convective heat transfer for the transfer fluid are solved simultaneously as a conjugate problem. A parametric study and a system optimization are conducted. It is found that the energy storage system with the countercurrent flow is an efficient way to absorb heat energy in a short period for pulsed power load space applications.

Cao, Y.↗

Measurement of Attachment-Line Location in a Wind-Tunnel and in Supersonic Flight

As a part of the supersonic laminar flow control research program, experiments are being conducted to measure the attachment-line flow characteristics and its location on a highly swept aircraft wing. Initially, subsonic wind tunnel tests were performed on two-dimensional models to develop sensors and techniques for the flight application. The wind tunnel test results suggest that, under certain conditions at the leading edge there are low frequency streamwise velocity fluctuations present in the laminar boundary layer which undergo a phase change at the stagnation point Therefore, if present in flight, this distinct change in phase, i.e., time shift of signals from either side of the stagnation point, can be used to determine the stagnation-line or attachment-line location. The phase-reversal phenomenon was examined to determine the attachment-line location on a highly swept wing. Test results indicate that the phase-reversal phenomenon may not be applicable in flight. Additional data analyses is continuing to account for phase differences introduced by the recording system. A final determination on the existence of phase-reversal in flight will require the results of further analysis and possibly additional flight testing. Some representative attachment-line data are presented and discussed as well as the results from the wind tunnel investigation.

Flight Testing↗

Improvement of Coal Power Plant Dry Cooling Technology through Application of Cold Thermal Energy Storage

The U.S. power infrastructure is currently heavily reliant on water cooling. The power plants in the U.S. account for approximately 40% of freshwater withdrawals, with 90% of it used in condenser cooling. The most used cooling technology in coal-fired power plants is a once-through condenser; however, this cooling method requires high water withdrawal rates and results in thermal pollution of the water source. Wet WCTs offer an alternative to once-through condensers due to much lower water withdrawals. However, these systems suffer from water consumption through evaporation making them undesirable options in areas subject to droughts and in arid areas. The direct dry cooled condensers (ACCs) and dry cooling towers (DCT) account for 1.8%, hybrid cooling (ACC + WCT) accounts for 0.5%, while other cooling technologies represent the rest (0.7%). The ACC/DCTs represent an attractive alternative for power plants; however, this technology has not been widely adopted in the US (less than 2% of power plants) due to its negative impact on plant performance. As a rule of thumb, dry cooling results in performance penalty equivalent to approximately 2%-point efficiency loss compared to wet cooling, although the actual magnitude varies with ambient dry bulb temperature, DBT which may vary considerably during the day. As DBT increases, the plant power output decreases, reaching a minimum at the hottest period of the day, which usually coincides with the highest electricity demand for air condition load. Therefore, performance of power plants using DCT/ACC cooling technology is the lowest during the summer mid-day when ambient temperature is the highest. For example, the decrease of the inlet air temperature to the DCT/ACC by 2 Deg C could generate up to 5% additional power at peak demand. It is, therefore, important to improve dry cooling technology to maintain the viability of coal-fired power plants in a carbon constrained future. The method for reducing the cooling air temperature and keeping it constant would mitigate this problem significantly. Objectives of this project were to develop, design, evaluate, and demonstrate a cost-effective system for improving performance of a DCT or ACC for thermal (coal-fired) power plant applications using a low-cost heat storage materials, such as pervious concrete (PC) and phase change material (PCM). Thus, the study focused on development of the system(s) that could be used to alleviate the difficulties in operating DCT/ACC during the summer months by storing cold energy during the nighttime in inexpensive materials PC and PCM and using it during the hottest period(s) of the day. Since very large quantities of cold energy need to be stored to make an impact on performance of a large power plant, it is essential that the storage materials and associated cold energy storage design(s) are inexpensive and the system is simple to build, maintain and operate. To achieve the project objectives, a comprehensive approach, including material development and characterization, component and system modeling, and laboratory- and prototype-scale experiments, was employed including modeling of the system components and of the entire system, development (engineering) of the materials for the heat storage modules of the Cold Thermal Energy Storage System (CTESS) and determination of their properties, design, manufacturing and setup of the laboratory- and prototype-scale test facility and testing, design, manufacturing and setup of the prototype-scale test facility. A modular design of CTESS was employed, where representative modules were designed as the integrated direct contact heat exchanger and thermal energy storage (TES) system. CTESS modules were manufactured and tested. Two prototype-scale designs of the CTESS modules were developed and tested. The use of CTESS increases plant generation increases since it lowers air temperature entering ACC/DCT and keeps it constant during the hottest time of the day. For a PCM-based CTESS, the ambient air temperature is lowered close to the PCM phase change temperature. The duration of the cooling effect depends on the latent heat and mass of PCM in the CTESS. For this project, commercial grade CaCl2 hexahydrate (CaCl2·6H2O or CC6) PCM with phase change temperature of 25 Deg. C was used due to its low cost. For practical reasons, the CTESS was designed to maintain the cooling effect for four hours. The low phase change temperature associated with the commercial grade PCM used in CTESS results in considerably higher improvement in net generation compared to the laboratory (pure) grade. The resistance to heat transfer results in lower net generation compared to the ideal case where resistance to heat transfer is zero. The results demonstrate that CTESS is effective in improving the performance of a dry cooling system. However, its effectiveness depends on the relationship between the ambient air conditions and PCM phase change temperature. As is the case with the heat rejection system, for the best performance, the PCM used in CTESS would need to be matched to the ambient air conditions. The results obtained in this report for selected geographical locations are valid for CC6 and demonstrate that the level of performance to be achieved by the technology will be location-dependent, as is the case with the air cooled condensers. The methodology for engineering of PC-PCM-based heat storage medium is applicable to other PCMs that may need to be used for other ambient air conditions and geographical locations.

01 COAL, LIGNITE, AND PEAT↗

Design Considerations for Fusible Heat Sink

Traditionally radiator designs are based off a passive or flow through design depending on vehicle requirements. For cyclical heat loads, a novel idea of combining a full flow through radiator to a phase change material is currently being investigated. The flow through radiator can be designed for an average heat load while the phase change material can be used as a source of supplemental heat rejections when vehicle heat loads go above the average load. Furthermore, by using water as the phase change material, harmful radiation protection can be provided to the crew. This paper discusses numerous trades conducted to understand the most optimal fusible heat sink design for a particular heat load. Trades include configuration concepts, amount of phase change needed for supplemental heat rejection, and the form of interstitial material needed for optimal performance. These trades were used to culminate to a fusible heat sink design. The paper will discuss design parameters taken into account to develop an engineering development unit.

Cognata, Thomas J.↗

Decomposing Cloud Radiative Feedbacks by Cloud-Top Phase

Changes in cloud scattering properties and emissivity that arise from atmospheric warming cause substantial radiative feedbacks in model projections of anthropogenic climate change, and the relative importance of the underlying mechanisms is poorly understood. One leading hypothesis is that ice-to-liquid conversions cause clouds to optically thicken, producing a major negative feedback. We test this hypothesis by developing a method to decompose cloud radiative feedbacks by cloud-top phase. The method is applied to an ensemble of six state-of-the-art global climate models run with prescribed sea surface temperature. In these simulations, the global mean of the net cloud scattering and emissivity feedback from cloud-phase conversions ranges from −0.17 to −0.01 W m −2 K −1 , while the overall net cloud feedback ranges from 0.02 to 0.91 W m −2 K −1 . The multimodel mean of the cloud scattering and emissivity feedback from cloud-phase conversions is approximately 19% of the magnitude of the multimodel mean of the overall cloud feedback (−0.10 vs 0.52 W m −2 K −1 ). These results indicate that cloud-phase conversions cause a robust negative feedback by changing cloud scattering and emissivity, but this mechanism makes a modest contribution to the overall cloud feedback at the global scale.

Climate change↗

Numerical Formulation for the Prediction of Solid/Liquid Change of a Binary Alloy

A computational model is presented for the prediction of solid/liquid phase change energy transport including the influence of free convection fluid flow in the liquid phase region. The computational model considers the velocity components of all non-liquid phase change material control volumes to be zero but fully solves the coupled mass-momentum problem within the liquid region. The thermal energy model includes the entire domain and uses an enthalpy like model and a recently developed method for handling the phase change interface nonlinearity. Convergence studies are performed and comparisons made with experimental data for two different problem specifications. The convergence studies indicate that grid independence was achieved and the comparison with experimental data indicates excellent quantitative prediction of the melt fraction evolution. Qualitative data is also provided in the form of velocity vector diagrams and isotherm plots for selected times in the evolution of both problems. The computational costs incurred are quite low by comparison with previous efforts on solving these problems.

Schneider, G. E.↗

Design Principles to Govern Electrode Fabrication for the Lithium Trivanadate Cathode

A full depth of discharge mathematical model for the lithium trivanadate cathode, considering lithiation of the layered α-phase, phase change, and lithiation of the rock-salt like β-phase at lower potentials, is developed. The coupled electrode-scale and crystal-scale model is fit to electrochemical data, and additionally validated with operando EDXRD. There is good agreement between the simulated and measured spatial variation of the volume fraction of the β-phase. This mathematical model is used to guide electrode fabrication, accounting for both ionic and electronic transport effects. Values of three design parameters—electrode thickness, porosity, and volume fraction of conductor—are identified, and the sensitivity of the energy density to these design parameters is quantified. The model is also used to investigate electrode design to create electrodes that deliver the maximum achievable energy density under the constraint that the α to β-phase transition is avoided, since phase change has been demonstrated to reduce cycle life. The energy density sacrificed to avoid phase change decreases at higher discharge rates, but the target values for electrode fabrication remain the same as those when optimizing the electrode for the full depth of discharge.

25 ENERGY STORAGE↗

Surface Energies of LaMnO 3 High-Index Surfaces Obtained from Density-Functional Theory

Here, the first six cubic LaMnO 3 high-index surfaces, (210), (211), (221), (310), (311), and (320), are examined for the first time. The unrelaxed and relaxed surface energies of the surfaces are computed as a function of surface model thickness using unrelaxed and relaxed surface models, respectively. The (210), (320), (211), and (221) surfaces are found to be more stable than the low-index (011) and (111) surfaces. Helping to explain this result, the surface terminations of the (210), (320), (211), or (221) surface are seen to exhibit a rotational relaxation of the MnO 6 or oxygen octahedra extending from the surface into the bulk. By contrast, the relaxed surface energies of the (310) and (311) surfaces are concluded to be difficult to determine due to a structural transformation or phase change in the surface models of the surfaces away from cubic LaMnO 3 . The finding of a phase change is important. It indicates that a phase change in the surface models of a surface for another material could occur if the surface is relatively open and a different phase of the material is stable at low temperature. When modeling such a surface, two steps are suggested to be taken.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Achieving extraordinary thermal stability of salt hydrate eutectic composites by amending crystallization behaviour with thickener

Commercial thermal energy storage (TES) systems necessitate reliable thermal performance throughout their operational lifetime. Repeated volume changes of the phase change materials (PCMs) during thermal cycling disengages thermal contacts between the conductive fillers like expanded graphite (EG) in TES composites, causing unstable thermal conductivity (k) that fades with cycling. Our in-operando crystallization studies on eutectic PCM made of zinc nitrate hexahydrate (ZNH) and KNO 3 revealed that the thermal stability of PCM composites can be considerably degraded by the formation of large and sharp-cornered PCM crystals during the freezing cycle. While the crystals can push EG particles, disengaging thermal contacts between them, we have newly discovered that carboxymethyl cellulose (CMC) can be used to retain the thermal contacts by forming networks of smaller PCM crystals. Furthermore, the scalable synthesis methodology of EG/ZNH eutectic composites was introduced. Here, in this study, EG particles were strongly connected into a matrix via a stable, corrosion resistant polydimethylsiloxane (PDMS) binder, stabilizing thermal networks and thereby maintaining k up to 1000 melt/freeze cycles. The thermal conductivity of our 25 vol% EG sample (13.3 W m -1 K -1 ) is more than 48% higher than other salt hydrate eutectic composites reported in the literature. We expect this study to provide insights on cooperative interaction between different components of TES systems (PCM, filler, thickener, binder) for exceptionally robust thermal properties.

36 MATERIALS SCIENCE↗

A general non-Fourier Stefan problem formulation that accounts for memory effects

The Stefan problem is the classical model of a melting phase change. In heterogeneous systems, such phase changes can exhibit non-Fourier (anomalous) behaviors, where the advance of the melt interface does not follow the expected time scaling. These situations can be modeled by replacing the derivatives, in the governing partial differential equations, with fractional order derivatives. In particular, replacing the time derivatives leads to non-Fourier models that account for memory effects in the system. In this work, by using appropriate time convolution integrals, a general thermodynamic balance statement for melting phase problems, explicitly accounting for memory effects, is developed. From this balance, a general model formulation applicable to problems involving melting over a temperature range (i.e., a mushy region) is derived. A key component in this model is the representation of memory effects through the use of fractional derivative based constitutive models of the enthalpy and heat flux. Further, on shrinking the mushy region to a single isotherm, a general sharp interface melting model is obtained. Here, in contrast to the classic Stefan problem, the fractional derivatives induce a natural regularization, such that the constitutive models for enthalpy and heat flux are continuous at the melt interface; a result confirmed through numerical simulation. To further support the theoretical findings, a physical example of a non-Fourier Stefan problem is presented. Overall the development and results in this paper underscore the importance of explicitly relating the development of fractional calculus models to the appropriate thermodynamic balance statements.

42 ENGINEERING↗

Exploration of a Novel Technique for Waste Heat Recovery Through Molecular Dynamics: Influence of Wettability and Electric Field on Water and Water-Based Nanofluids

Most of the energy produced globally comes by way of a heat engine. The Carnot principle places a limit as to how thermodynamically efficient a heat engine can be. There is no heat engine that can be 100% thermodynamically efficient and as such a substantial proportion of all heat supplied to a heat engine is lost as waste heat. Waste heat therefore is a large energy source ready to be properly utilized. Herein, a novel approach for converting waste heat to electricity is discussed. It involves the use of the liquid to vapor phase change of a material dielectric (water) or electrolyte (nanofluid) in the embodiment of a capacitor for direct thermal to electrostatic energy conversion. While this method of waste heat recovery could potentially be added to the ever expanding portfolio of energy conversion techniques, a number of aspects must be addressed before it can be brought into practice. Water was seen as an ideal dielectric phase change material given its high relative permittivity ratio when in the liquid form as compared to its vapor form. However, given its short voltage holdoff time the phase change of water would need to occur rapidly. This brings up concerns of explosive boiling. Herein, molecular dynamics analysis into the explosive boiling behavior of thin water films gave more insight into how the interaction between the surface and liquid affected explosive boiling onset time. A Lennard-Jones potential with one interaction site and a Morse potential with three interaction sites between water and solid substrate were used. It was found generally that a stronger interaction between water film and substrate led to faster explosive boiling onset times but an increase in the number of interaction sites delayed explosive boiling, even at the same wettability (contact angle). Understanding changes in the density and enthalpy of vaporization of a liquid dielectric such as water in the presence of an electric field is of importance due to the electrostatic nature of the waste heat conversion method under consideration. Specifically, if both density and enthalpy of vaporization are increased, the thermodynamic efficiency of the waste heat conversion method under consideration is decreased. Electric field effects are explored herein via molecular dynamics using two water models, the TIP4P-Ew and SWM4-NDP. The SWM4-NDP model is polarizable while the TIP4P-Ew model is not, which allows for a determination of the importance of model polarizability (i.e. variation in water model dipole moment) on these two properties of water when subjected to an electric field. Herein it was found that both water models respond similarly in terms of density and vaporization enthalpy variance upon the introduction of an electric field. Comparison was also made to the pressure induced by the electric field (electrostriction pressure) by way of a density comparison and it was found that the predicted electrostriction pressure overestimates the pressure experienced by water. Water by itself has a high enthalpy of vaporization, which limits the efficiency of the newly proposed conversion method. Research both experimental and through simulation has shown that the vaporization enthalpy of nanofluids can be engineered via nanoparticle size and material selection. An avenue less explored is manipulating the enthalpy of vaporization by altering the interaction strength between the nanoparticles and the base fluid. In practice this could be achieved through the addition of coatings to the nanoparticles to alter their wettability to the base fluid. This was explored by using a Lennard-Jones potential and Morse potential to model the interaction between base fluid (water) and the nanoparticle. For nanoparticles 2nm in diameter and at weight percentages up to 6%, the change in vaporization enthalpy due to alterations of the interaction strength between nanoparticle and base fluid was not significant (less than a 1% difference) when compared to the effect of altering the weight percentage of nanoparticles in the nanofluid or introducing an electric field. However, the effect of wettability may still become important at other nanoparticle concentrations and sizes. In all, the studies presented here further the understanding of phase change and thermodynamic properties of water and water based nanofluids under an electrostatic field which will help inform the development of a novel approach to waste heat conversion. The reduction of waste heat will improve energy sustainability outlooks.

30 DIRECT ENERGY CONVERSION↗

The PCM is Dead! Long Live O-PCM!

The ability to reconfigure the optical behavior of a device enables free-space applications ranging from imaging to sensing and signal control. Such optical devices can be compacted via meta-surfaces, patterned structures with feature sizes below the incident wavelength. Leveraging geometry in addition to material properties and CMOS fabrication techniques has allowed meta-surfaces for lenses, holograms, beam steerers and more. To incorporate multiple optical functions into one device, various methods of device control have been implemented, such as stretching of flexible substrates, tuning the refractive index of the comprising meta-atoms via the electro-optic or the thermo-optic effects, phase transition materials such as VO2 and more. Chalcogenide glasses used as optical phase change materials, such as Ge¬2Sb2Te5 (GST), have gained increased traction in the optics community for potential use in the near infrared (NIR) and mid infrared (MIR) bands, including the telecom bands. Various chalcogenides such as Sb2Se3, Sb2S3, Ge2Sb¬2Se5 and Ge2Sb2Se4Te (GSST) have been investigated due to their broad NIR or MIR transparency window and large changes in refractive index. In their amorphous phase, these materials usually display a lower refractive index and low absorption when compared to their crystalline state which display a higher refractive index and typically larger extinction coefficients. The amorphous-crystalline reversible switching can be done via fast melt-quenching thermal processes triggered by laser or electrical impulses, relying on a substrate as a heat sink. The potential of PCMs in photonic devices can be limited by intrinsic material limitations as well as by device fabrication issues. To explore the cyclability of GSST, a PCM with large refractive index contrast and on-chip electrothermal switching on a silicon-on-insulator platform has been done to analyze potential failure mechanisms from both a material and device perspective. A brief outline of the instrumentation and phase change contrast analysis is provided. Dewetting of the PCM, delamination of and damage in the PECVD SiNx protective layer, elemental migration in the PCM and optical contrast decay have been observed in cycled GSST devices. Guidelines for device performance improvement are proposed, and an improved design with larger endurance is shown in progress.

reconfigurable photonics↗