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A numerical method for phase-change problems

A highly accurate and efficient finite-difference method for phase-change problems with multiple moving boundaries of irregular shape is developed by employing a coordinate transformation that immobilizes moving boundaries and preserves the conservative forms of the original governing equations. The numerical method is first presented for one-dimensional phase-change problems (involving large density variation between phases, heat generation, and multiple moving boundaries) and then extended to solve two-dimensional problems (without change of densities between phases). Numerical solutions are obtained non-iteratively using an explicit treatment of the interfacial mass and energy balances and an implicit treatment of the temperature field equations. The accuracy and flexibility of the present numerical method are verified by solving some phase-change problems and comparing the results with existing analytical, semi-analytical and numerical solutions. Results indicate that one- and two-dimensional phase-change problems can be handled easily with excellent accuracies.

Kim, Charn-Jung

"Electrostructural Phase Changes" In Charged Particulate Clouds: Planetary and Astrophysical Implications

There is empirical evidence that freely-suspended triboelectrostatically charged particulate clouds of dielectric materials undergo rapid conversion from (nominally) monodispersed "aerosols" to a system of well-defined grain aggregates after grain motion or fluid turbulence ceases within the cloud. In United States Microgravity Laboratory Space Shuttle experiments USML-1 and USML-2, it was found that ballistically-energized grain dispersions would rapidly convert into populations of filamentary aggregates after natural fluid (air) damping of grain motion. Unless continuously disrupted mechanically, it was impossible to maintain a non-aggregated state for the grain clouds of sand-size materials. Similarly, ground- based experiments with very fine dust-size material produced the same results: rapid, impulsive "collapse" of the dispersed grains into well-defined filamentary structures. In both ground-based and microgravity experiments, the chains or filaments were created by long-range dipole electrostatic forces and dipole-induced dielectric interactions, not by monopole interactions. Maintenance of the structures was assisted by short-range static boundary adhesion forces and van der Waals interactions. When the aggregate containers in the USML experiments were disturbed after aggregate formation, the quiescently disposed filaments would rearrange themselves into fractal bundles and tighter clusters as a result of enforced encounters with one another. The long-range dipole interactions that bring the grains together into aggregates are a product of randomly-distributed monopole charges on the grain surfaces. In computer simulations, it has been shown that when the force vectors of all the random charges (of both sign) on a grain are resolved mathematically by assuming Coulombic interaction between them, the net result is a dipole moment on individual grains, even though the grains are electrically neutral insofar as there is no predominance, on their surface, of one charge sign over another. The random charges of both sign derive from natural grain-to-grain interactions that produce triboelectrification via charge exchange every time grain surfaces make contact with one another. The conversion from a random distribution of grains (upon which there are randomly distributed charges) into an organization of electrostatically-ordered aggregates, can be regarded (within the framework of granular-material science) as an "electrical or Coulombic phase change" of the particulate cloud. It is not totally dissimilar from the more normal phase-change concept in which, for example, a gas with long free-path-molecules suddenly becomes a solid as a result of structural ordering of the molecules (notably, also the result of electronic forces, albeit at a different scale). In both the gas-to-solid case, and the aerosol-to-aggregate case, the same materials and charges are present before and after the phase change, but their arrangement now has a higher degree of order and a lower-energy configuration. An input of energy into the system is required to reverse the situation. The aggregates in the USML experiments were observed to undergo at least two phase changes as noted above. The point about phase changes, and by implication, the "electrostructural" reorganizations in particulate clouds, is the following: (a) they can occur very rapidly, almost spontaneously, above a critical cloud density, (b) in going from a higher energy state to a lower energy state, they convert to a denser system, (c) energy must be required to reverse the situation, implying that energy is released during the high-to-low energy phase change. In applying this information to natural particulate clouds, some inferences can be made (it is stressed that reference is still to dielectric materials attracted by dipole forces). There are several natural settings to which the USML observations apply, and to which the phase-change implications likewise apply. Dense clouds of triboelectrically-charged, kinetically-energized grains are to be found in volcanic eruptions (particularly on earth), aeolian dust storms (particularly on Mars), meteorite impact ejecta curtains (on all planets), in "immature" debris rings around planets (e.g., that from which our own Moon may have condensed), and in gravitationally collapsing protoplanetary dust/planetesimal debris disks where dielectric granules are being increasingly brought into collisional relationships with one another (increasing both charge exchange and physical proximity). It is noted that in many of these cases, the degree of electrical charging on the grains is likely to be much higher than that in the USML experiments where charging was not enhanced above the "normal", naturally encountered level for the particular materials (quartz, glass, and various silicate minerals). Application of the phase-change concept suggests that volcanic, aeolian, and impact debris clouds may, under certain circumstances, undergo rapid, impulsive, or even catastrophic collapse into a denser state that will lead to rapid precipitation or fall-out of suspended particulates. Although this idea has been suggested previously by the author , the phase change concept possibly permits some new insights into cloud-system behavior. For example, in a protoplanetary debris disk, the work of gravity may suddenly be enhanced by electrostatically driven collapse of the system when materials reach a critical intergranular spacing or grain number density. This might reduce the rate of planet formation by orders of magnitude (considering the ratio of g-forces to electrostatic ones for very small grains in close proximity), and indeed, it might drive the collapse into a system configuration that would perhaps not be created by gravity alone. Additional information is contained in the original.

Marshall, J. R.

Phase Change Material Trade Study: A Comparison Between Wax and Water for Manned Spacecraft

Phase change material heat sinks have been recognized as an important tool in optimizing thermal control systems for space exploration vehicles and habitats that must deal with widely varying thermal loads and environments. In order to better focus technology investment in this arena, NASA has supported a trade study with the objective of identifying where the best potential pay-off can be found among identified aqueous and paraffin wax phase change materials and phase change material heat sink design approaches. The study used a representative exploration mission with well understood parameters to support the trade. Additional sensitivity studies were performed to ensure the applicability of study results across varying systems and destinations. Results from the study indicate that a water ice PCM heat sink has the potential to decrease the equivalent system mass of the mission s vehicle through a combination of a smaller heat sink and a slight 5% increase in radiator size or the addition of a lightweight heat pump. An evaluation of existing and emerging PCM heat sink technologies indicates that further significant mass savings should be achievable through continued development of those technologies. The largest mass savings may be realized by managing the location of the liquid and the solid in the heat sink to eliminate the melting and freezing pressure of wax and water, respectively, while also accommodating the high structural loads expected on future manned launch vehicles.

Quinn, Gregory

Phase Change Material Trade Study: A Comparison Between Wax and Water for Manned Spacecraft

Phase change material heat sinks have been recognized as an important tool in optimizing thermal control systems for space exploration vehicles and habitats that must deal with widely varying thermal loads and environments. In order to better focus technology investment in this arena, NASA has supported a trade study with the objective of identifying where the best potential pay-off can be found among identified aqueous and paraffin wax phase change materials and phase change material heat sink design approaches. The study used a representative exploration mission with well understood parameters to support the trade. Additional sensitivity studies were performed to ensure the applicability of study results across varying systems and destinations. Results from the study indicate that replacing a wax PCM heat sink with a water ice PCM heat sink has the potential to decrease the equivalent system mass of the mission s vehicle through a combination of a smaller heat sink and a slight 5% increase in radiator size or the addition of a lightweight heat pump. An evaluation of existing and emerging PCM heat sink technologies indicates that further mass savings should be achievable through continued development of those technologies. The largest mass savings may be realized by eliminating the melting and freezing pressure of wax and water, respectively.

Quinn, Gregory

Phase Change Processes for Thermal Management Systems and Science Investigations

This white paper focuses on the scientific rationale and motivation for deploying phase change processes-based spacecraft thermal management systems for space missions [1,2]. Phase change processes need to be implemented in the design of various life support systems, sub-critical cryogenic and thermal control systems, taking advantage of the latent heat of phase change so as to significantly increase the heat transfer rate per unit fluid mass. Experimental data are critical to understanding gravitational effects on complex phase change processes using novel materials and working fluids. Experimental data can be acquired by either designing new testing platforms or performing experiments with simulant fluids on existing microgravity platforms. With the acquired data, theoretical flow physics models and numerical simulations can then be validated for use under long-duration microgravity conditions. The acquired data and validated models will enable the deployment of game-changing thermal management systems with remarkably improved efficiency and stability in heat acquisition, transport, and rejection for long-duration space missions.

Fluid mechanics

Radiation Heat Transfer Modeling Improved for Phase-Change, Thermal Energy Storage Systems

Spacecraft solar dynamic power systems typically use high-temperature phase-change materials to efficiently store thermal energy for heat engine operation in orbital eclipse periods. Lithium fluoride salts are particularly well suited for this application because of their high heat of fusion, long-term stability, and appropriate melting point. Considerable attention has been focused on the development of thermal energy storage (TES) canisters that employ either pure lithium fluoride (LiF), with a melting point of 1121 K, or eutectic composition lithium-fluoride/calcium-difluoride (LiF-20CaF2), with a 1040 K melting point, as the phase-change material. Primary goals of TES canister development include maximizing the phase-change material melt fraction, minimizing the canister mass per unit of energy storage, and maximizing the phase-change material thermal charge/discharge rates within the limits posed by the container structure.

Kerslake, Thomas W.

Combining Theory and Experiment to Map the Atomic-Level Structure–Energy Pathways of Adsorbate-Mediated Phase Changes in a Cooperatively Flexible Metal–Organic Framework

An important subclass of metal–organic frameworks (MOFs) exhibits cooperative flexibility, wherein individual crystallites undergo global structural phase changes in response to external stimuli. Where cooperative flexibility results in reversible changes between crystalline states of distinct accessible porosity, these frameworks can exhibit rare yet desirable behaviors that cannot be explained by local dynamics alone. Yet, the chemical and structural origins of cooperative flexibility and how frameworks undergo these reversible phase changes at the atomic level remain poorly understood. Deliberate design for specific applications is therefore exceedingly difficult, and there is great impetus to develop a fundamental understanding of this phenomenon. Here, an effective and widely accessible computational approach is developed, which is designed to provide microscopic resolution via direct comparison to experimental data along the desorption-guided pathway. The strategy is applied to explain the desorption-induced phase change in an experimentally well-characterized framework, CdIF-13 (sod-Cd(benzimidazolate)2), where experiment alone was unable to resolve the atomistically detailed phase change landscape. Our findings reveal that the cooperative phase change pathways are adsorbate dependent with thermodynamics of intermediate structural states dictated by a nuanced interplay of ligand orientation, skeletal symmetry, and modes of surface adsorption. The results reveal that this isotropically flexible framework is “chaperoned” through a complex energy landscape by specific adsorbates, revealed by the reported computational approach with atomic-level insight and validated by experimentally determined structures. Thus, this work facilitates both understanding and future design of flexible materials for applications in gas storage, transport, delivery, and separation technologies.

03 NATURAL GAS

Transient analysis of a thermal storage unit involving a phase change material

The transient response of a single cell of a typical phase change material type thermal capacitor has been modeled using numerical conductive heat transfer techniques. The cell consists of a base plate, an insulated top, and two vertical walls (fins) forming a two-dimensional cavity filled with a phase change material. Both explicit and implicit numerical formulations are outlined. A mixed explicit-implicit scheme which treats the fin implicity while treating the phase change material explicitly is discussed. A band algorithmic scheme is used to reduce computer storage requirements for the implicit approach while retaining a relatively fine grid. All formulations are presented in dimensionless form thereby enabling application to geometrically similar problems. Typical parametric results are graphically presented for the case of melting with constant heat input to the base of the cell.

Griggs, E. I.

A Novel and Scalable Method for Microencapsulating Salt Hydrate Phase Change Materials in Core–Shell Fibers

Phase change materials (PCMs) are in high demand for applications such as thermal energy storage in buildings, electronics cooling, and thermal management of electric vehicle batteries and data centers. Among these materials, salt hydrate PCMs are particularly attractive due to their high thermal energy storage capacity and low cost. However, they suffer from two major issues: leakage in the melted phase and phase segregation during phase transitions. Microencapsulation is the primary process capable of addressing both of these challenges. However, there is no reliable or scalable method available for microencapsulating salt hydrate PCMs. As a result, the full potential of salt hydrates for building and data center applications has yet to be realized. In this work, we present an innovative method for the microencapsulation of salt hydrate PCMs using a co‐axial pushing technique. This process creates core–shell fibers, with the salt hydrate as the core and a polymer as the shell. Our approach demonstrates strong potential for scalable microencapsulation of salt hydrate PCMs. In conclusion, achieving scalability could enable their widespread use in applications such as data center cooling, battery thermal management, and building climate control.

Sharma, Jaswinder [Oak Ridge National Laboratory (

Utilization of Micro Tube Heat Exchanger for Next Generation Phase Change Material Heat Exchanger Development

Abstract and not the Final document is attached. Low Lunar orbit presents a unique thermal environment with high planetary and high solar IR requirements. Orion requires a phase change material heat exchanger (PCM HX) to act as a supplemental heat rejection device (SHReD) during this orbit. As a result, Orion currently uses a PCMHX to meet heat rejection demands in low lunar orbit. This PCM HX weighs 145 lbs, a significant amount of weight on the Crew Module Adaptor. To reduce this weight, a new PCM HX and phase change material is being proposed. This new PCM HX, constructed by Mezzo technologies, was originally designed as a water based PCM HX but is now be repurposed for phase change materials with transition temperatures in Orion's set points and different freeze front propagations. Mezzo's PCM HX utilizes micro tubes which greatly increase the overall heat transfer efficiency allowing for a compact design and significant weight savings. A new phase change material is also being proposed which has a higher latent heat of fusion as well as a higher density. This paper investigates the design, testing, and analysis done on the new Mezzo PCM HX as well as the corresponding phase change material.

Foley, Lauren A.

Phase Change Materials for Photonics in NASA Science and Space Missions

Phase change materials (PCMs) such as Ge2Sb2Te5, Ge2Sb2Se4Te1, and Sb2S3have recently emerged as a promising platform to control light on-chip due to their fast, dramatic, and reversible change in refractive index. Significant technical progress in the field has been achieved in terms of improving optical transparency, controlling PCMs both optically and electrically, and integrating with complex photonic circuits, leading to exciting applications. When PCMs are mated with metasurfaces, devices are capable of controlling the phase and amplitude of propagating light with arrays of subwavelength structures. These enhance tunability and reconfigurability and continue to redefine the boundaries of optical sciences. PCM-based metasurface optics also help to accelerate the adoption of new architectures with reduced size, weight, and power (SWaP) for science and space mission platforms at NASA. In this talk, I will introduce two NASA-lead PCM photonic projects: 1. P-ACTIVE (PCM-based actively tunable filter) for broad imaging and sensing applications – from probing molecular vibrations in chemical species to detecting radiant thermal signatures of the space launch system. 2. PROWESS (Phase change reconfigurable optical wavefront synthesis system) as a beam steerer for both Earth and space LiDAR and free space optical communication applications. From this seminar, the attendees will be exposed not only to PCM-based photonic technologies but also NASA missions including the MISSE (Materials on the International Space Station Experiment) test campaign that was conducted to expose PCMs and PCM-based metasurfaces in space for 6 months in 2022.

phase change material

Thermal modeling with solid/liquid phase change of the thermal energy storage experiment

A thermal model which simulates combined conduction and phase change characteristics of thermal energy storage (TES) materials is presented. Both the model and results are presented for the purpose of benchmarking the conduction and phase change capabilities of recently developed and unvalidated microgravity TES computer programs. Specifically, operation of TES-1 is simulated. A two-dimensional SINDA85 model of the TES experiment in cylindrical coordinates was constructed. The phase change model accounts for latent heat stored in, or released from, a node undergoing melting and freezing.

Skarda, J. Raymond Lee

Ethylene-associated phase change from juvenile to mature phenotype of daylily (Hemerocallis) in vitro

Hemerocallis plantlets maintained in vitro for extended periods of time in tightly closed culture vessels frequently show a phenotype, albeit on a miniaturized scale, typical of more mature, field-grown plants. The positive relationship of elevated ethylene in the headspace of such vessels to the phase shift from juvenile to mature form is established. Rigorous restriction in air exchange with the external environment by means of silicone grease seals hastens the phase change and improves uniformity of response. Although some plantlets may take longer to accumulate enough ethylene in sealed jars to undergo change, added ethylene and ethylene-releasing agents promote it. Ethylene adsorbants (e.g. mercuric perchlorate) block the shift of juvenile to mature form. Critical ambient ethylene level for the shift is ca 1 microliter l-1. Levels up to 1000 microliters l-1 do not hasten the response but are not toxic. The phase change is fully reversible when air exchange permits ethylene to drop below 1 microliter l-1. At least 1 microliter l-1 ethylene is required to sustain the mature phenotype. The ethylene synthesis inhibitor aminoethoxyvinylglycine (AVG) prevents the phase change, while the ethylene biosynthesis intermediate 1-aminocyclopropanecarboxylic acid (ACC) improves it. KOH, as a CO2 absorbent, does not prevent the phase change. Histology sections demonstrate subtle changes in the form of shoot tips of plantlets undergoing phase change.

NASA Discipline Plant Biology

Phase change material for temperature control and material storage

A phase change material comprising a mixture of water and deuterium oxide is described, wherein the mole fraction of deuterium oxide is selected so that the mixture has a selected phase change temperature within a range between 0.degree. C. and 4.degree. C. The mixture is placed in a container and used for passive storage and transport of biomaterials and other temperature sensitive materials. Gels, nucleating agents, freezing point depression materials and colorants may be added to enhance the characteristics of the mixture.

Wessling, Jr., Francis C.

Lightweight Phase-Change Material For Solar Power

Lightweight panels containing phase-change materials developed for use as heat-storage elements of compact, lightweight, advanced solar dynamic power system. During high insolation, heat stored in panels via latent heat of fusion of phase-change material; during low insolation, heat withdrawn from panels. Storage elements consist mainly of porous carbon-fiber structures imbued with germanium. Developed for use aboard space station in orbit around Earth, also adapted to lightweight, compact, portable solar-power systems for use on Earth.

Stark, Philip

Multiphase flow and phase change in microgravity: Fundamental research and strategic research for exploration of space

NASA is preparing to undertake science-driven exploration missions. The NASA Exploration Team's vision is a cascade of stepping stones. The stepping-stone will build the technical capabilities needed for each step with multi-use technologies and capabilities. An Agency-wide technology investment and development program is necessary to implement the vision. The NASA Exploration Team has identified a number of areas where significant advances are needed to overcome all engineering and medical barriers to the expansion of human space exploration beyond low-Earth orbit. Closed-loop life support systems and advanced propulsion and power technologies are among the areas requiring significant advances from the current state-of-the-art. Studies conducted by the National Academy of Science's National Research Council and Workshops organized by NASA have shown that multiphase flow and phase change play a crucial role in many of these advanced technology concepts. Lack of understanding of multiphase flow, phase change, and interfacial phenomena in the microgravity environment has been a major hurdle. An understanding of multiphase flow and phase change in microgravity is, therefore, critical to advancing many technologies needed. Recognizing this, the Office of Biological and Physical Research (OBPR) has initiated a strategic research thrust to augment the ongoing fundamental research in fluid physics and transport phenomena discipline with research especially aimed at understanding key multiphase flow related issues in propulsion, power, thermal control, and closed-loop advanced life support systems. A plan for integrated theoretical and experimental research that has the highest probability of providing data, predictive tools, and models needed by the systems developers to incorporate highly promising multiphase-based technologies is currently in preparation. This plan is being developed with inputs from scientific community, NASA mission planners and industry personnel. The fundamental research in multiphase flow and phase change in microgravity is aimed at developing better mechanistic understanding of pool boiling and ascertaining the effects of gravity on heat transfer and the critical heat flux. Space flight experiments conducted in space have shown that nucleate pool boiling can be sustained under certain conditions in the microgravity environment. New space flight experiments are being developed to provide more quantitative information on pool boiling in microgravity. Ground-based investigations are also being conducted to develop mechanistic models for flow and pool boiling. An overview of the research plan and roadmap for the strategic research in multiphase flow and phase change as well as research findings from the ongoing program will be presented.

Singh, Bhim S.

Ice Particle Transport Analysis With Phase Change for the E(sup 3) Turbofan Engine Using LEWICE3D Version 3.2

Ice Particle trajectory calculations with phase change were made for the Energy Efficient Engine (E(sup 3)) using the LEWICE3D Version 3.2 software. The particle trajectory computations were performed using the new Glenn Ice Particle Phase Change Model which has been incorporated into the LEWICE3D Version 3.2 software. The E(sup 3) was developed by NASA and GE in the early 1980 s as a technology demonstrator and is representative of a modern high bypass turbofan engine. The E(sup 3) flow field was calculated using the NASA Glenn ADPAC turbomachinery flow solver. Computations were performed for the low pressure compressor of the E(sup 3) for a Mach 0.8 cruise condition at 11,887 m assuming a standard warm day for ice particle sizes of 5, 20, and 100 microns and a free stream particle concentration of 0.3 g/cu m. The impingement efficiency results showed that as particle size increased average impingement efficiencies and scoop factors increased for the various components. The particle analysis also showed that the amount of mass entering the inner core decreased with increased particle size because the larger particles were less able to negotiate the turn into the inner core due to particle inertia. The particle phase change analysis results showed that the larger particles warmed less as they were transported through the low pressure compressor. Only the smallest 5 micron particles were warmed enough to produce melting and the amount of melting was relatively small with a maximum average melting fraction of 0.836. The results also showed an appreciable amount of particle sublimation and evaporation for the 5 micron particles entering the engine core (22 percent).

Bidwell, Colin, S.