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At least 19 records

PCMS: Parallel Coupler For Multimodel Simulations

This paper presents the Parallel Coupler for Multimodel Simulations (PCMS), a new GPU accelerated generalized coupling framework for coupling simulation codes on leadership class supercomputers. PCMS includes distributed control and field mapping methods for up to five dimensions. For field mapping PCMS can utilize discretization and field information to accommodate physics constraints. PCMS is demonstrated with a coupling of the gyrokinetic microturbulence code XGC with a Monte Carlo neutral transport code DEGAS2 and with a 5D distribution function coupling of an energetic particle transport code (GNET) to a gyrokinetic microturbulence code (GTC). Weak scaling is also demonstrated on up to 2,080 GPUs of Frontier with a weak scaling efficiency of 85%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

A Novel Approach for Microencapsulating Salt Hydrate-Based Phase Change Materials

Energy storage technologies, particularly those utilizing phase change materials (PCMs), have gained attention for their high energy density and efficient thermal management. PCMs, which store energy through solid-liquid phase transitions, can efficiently capture and release thermal energy, but face the challenge of leakage during the phase change process. Inorganic PCMs, such as salt hydrates, offer high energy storage capacity, but are difficult to encapsulate due to their corrosive nature. Conventional encapsulation techniques for inorganic PCMs are limited, particularly for scalable applications. In this work, we present an innovative method for the encapsulation of salt hydrate-based inorganic PCMs (CaCl 2 ·6H 2 O) using co-axial electrospinning. The process involves the creation of co-axial fibers, with salt hydrate as the core and polymer (e.g., PVP) as the outer shell, effectively preventing leakage and improving the stability of the PCM. This approach demonstrates the potential for scalable microencapsulation of inorganic PCMs, marking the first report of using co-axial electrospinning for this purpose. This novel technique could contribute to enhancing the performance and applicability of PCMs in thermal energy storage systems and other energy efficiency applications.

36 MATERIALS SCIENCE

Inhibition of the Vacuolar-like ATPase from Halobacterium saccharovorum by Thiol Reagents: Evidence for Different Functional Thiols

N-Ethylmaleimide (NEM) inhibited the vacuolar-like ATPase from Halobacterium saccharovorum (K(sub i) approximately 1 mM) by modifying one or more of the thiols located on the largest of the subunit. ATP protected against inhibition and coincidentally prevented NEM binding which suggested that NEM acts at or near the catalytic site. p-Chloromercuriphenylsulfonate (PCMS) also inhibited this ATPase (K(sub i) approximately 90 microM). ATP did not protect against PCMS inhibition. Dithiothreitol (DTT) partially reversed PCMS inhibition and restored approximately half of the initial activity of 90% inhibited enzyme. DTT did not restore activity of the NEM-inhibited enzyme or the PCMS-inhibited enzyme when it was subsequently incubated with NEM. The failure of ATP to protect against PCMS inhibition and the inability of DTT to restore activity of enzyme incubated in the presence of PCMS and NEM suggests these reagents react with different thiols and that the PCMS-sensitive thiol may have a structural role.

Hochstein, L. I.

Wood template-supported phase change material composites for durable and form-stable thermal energy storage in buildings

Here, to reduce and shift peak energy loads in buildings, phase change materials (PCMs) with high transition enthalpies and transition temperatures near human thermal comfort are desirable for thermal energy storage (TES). Traditional solid/liquid PCMs suffer from leakage during thermal cycling, requiring encapsulation that lowers heat storage capacity. Wood templates (WTs), with porous and hierarchical structures, provide natural encapsulation scaffolds for PCM containment. Polyethylene glycol (PEG) is a compatible PCM with WTs, but when infiltrated alone, ~30 wt% of PEG binds to wood with no detectable phase change, limiting TES efficiency. To address this, we developed a method to (1) improve the form stability of balsa and pine-based composites (BWT + PCMs and PWT + PCMs) and (2) reduce inactive PCM within the composites to ~10 wt%. BWT + PCMs exhibit transition properties upwards of 114.2 J/g at 25.4 degrees C, with no degradation after 1000 thermal cycles, and similar stiffness compared to raw balsa. Meanwhile, PWT + PCMs exhibit 25 % higher storage efficiency with the addition of poly(ethylene glycol) diacrylate compared to solely PEG-infiltrated PWT. PWT + PCM retains 84 % of raw pine's mechanical stiffness, sufficient for light-duty construction. Our shape-stabilized WT + PCM composites enrich the functionality of wood materials as both ideal TES material candidates and light-duty building construction applications.

25 ENERGY STORAGE

Space-qualified Chalcogenide Materials through ISS MISSE Exposure —From Property to Application

In March 2021, twenty-four samples of various phase change materials (PCMs - Ge2Sb2Te5, Ge2Sb2Se4Te1, and Sb2Se3) along with metasurface optical components comprised of these PCMs, were delivered to the International Space Station (ISS) as part of the Materials International Space Station Experiment (MISSE-14) test campaign [1]. Although PCMs have previously been noted for their resilience to various forms of radiation [2], they had not been tested in a realistic space environment until this exposure campaign with joint NASA and MIT collaboration. During the six-month total open exposure time in low earth orbit (LEO), high-resolution cameras scanned and captured photographs of the samples to detect changes as a function of time along with on-orbit measured temperature, UV radiation, total atomic oxygen fluence, and total ionizing radiation doses. The samples were returned to NASA Langley Research Center in March 2022 for post-flight characterization. This duplicated the preflight characterization (i.e., material composition and crystallinity that limits switching speed, index contrast, loss, etc.) conducted before launch. The space sector has witnessed tremendous growth within the past decade—not only from government agencies but also entrants from the private sector. Future growth in the capabilities of Earth observation, deep space, and planetary surface missions using miniaturized spacecraft platforms can only be sustained by innovations in the design of remote sensors and other sub-systems. Active metasurface optics with enhanced tunability and reconfigurability continues to redefine the boundaries of optical science [3]. The introduction of PCM technology and associated optical devices will help to accelerate the adoption of new architectures for reduced size, weight, power, and cost (SWaP-C) platforms in space.Here we introduce results obtained from the MISSE-14 mission related to space qualification of PCM-based optic devices and constituent materials. We then discuss our recent work developing active integrated photonic devices and metasurface optics based on PCMs for space applications. This includes tunable and reconfigurable optical metasurface devices to support NASA space communication and LIDAR applications. PCMs are quickly becoming interesting photonics materials but questions related to mission suitability remain, particularly in regard to key properties like figures-of-merit (FOM, Δn/Δk), glass forming temperatures, and phase transition speeds. This talk will describe efforts to afford researchers the ability to have access to cost-effective data on exposure-induced changes to PCM fundamental physical and optical properties to assess their utility for space applications. The MISSE-14 sample exposure campaign allows a complete understanding of the limitations of the PCMs for various space-based electronic and optoelectronic applications.

Chalcogenide Phase change material

Shape‐Stabilization of Phase Change Materials with Carbon‐Conscious Poly(hydroxy)Urethane Foams

Thermal energy regulation is a significant challenge, contributing to over 30% of annual greenhouse gas emission (GHG) emissions. Phase change materials (PCMs) offer a promising solution by storing thermal energy, which can enable the reuse of waste heat for heating and cooling; however, developing materials for shape-stabilized PCMs remains crucial. This work investigates a self-foaming poly(hydroxy)urethane (PHU), derived from a non-isocyanate polyurethane (NIPU), as a porous support for shape-stabilizing paraffinic and salt hydrate PCMs. PHU-encapsulated paraffinic PCMs exhibited excellent thermal stability over repeated cycles. Thermal stability with salt hydrate PCMs, specifically calcium chloride hexahydrate (CaCl 2 •6H 2 O), is achieved by the incorporation of 5 wt.% barium carbonate (BaCO 3 ) into the PHU foam. This enabled stable cycling for over 48 cycles with desirable thermal properties, i.e., a melting point ≈30 °C, high enthalpy (ca. 138 J g −1 per cycle), and a consistent freezing point ≈20 °C, making it suitable for applications in buildings and electric vehicle battery insulation. Also, incorporating graphite (1.5–10 wt.%) into the foam enhanced the thermal conductivity of shape-stabilized CaCl 2 •6H 2 O during heating and cooling cycles. Overall, the approach detailed here offers a carbon-conscious and chemically tunable material for thermal energy storage.

25 ENERGY STORAGE

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 (

New Phase Change Materials for Active Photonics

Phase change materials or PCMs are truly remarkable compounds whose unique switchable properties have fueled an explosion of emerging applications in electronics and photonics. Nonetheless, if we discount their use in optical discs, PCMs’ immense application potential in photonics beyond data recording has only begun to unfold in the past decade. While the material requirements for optical or electronic data storage have been succinctly summarized as five key elements “writability, archival storage, erasability, readability, and cyclability” decades ago, these requirements are not universally relevant to the diverse set of photonic applications now being explored. It also comes as no surprise that existing PCMs, which have been heavily vetted for data storage, are not necessarily the optimal compositions for different use cases in optics and photonics. PCMs with their attributes custom-tailored for specific applications are therefore in demand as phase-change photonics continue to expand. Here we discuss the PCM selection and design strategies specifically for photonic applications as well as our recent work developing active integrated photonic devices and metasurface optics based on new PCMs tailored for photonics.

phase change materials

Thermal and mechanical performance of gypsum composites containing fly ash cenosphere encapsulated phase change materials

Utilizing phase change materials (PCMs) within construction materials improves the thermal energy storage capabilities in the built environment. Notably, integrating PCMs into drywalls presents a promising avenue to reduce building energy use. However, incorporating PCMs into drywalls poses challenges, particularly reduced mechanical properties and workability limitations as it can adversely affect the hardening and cohesiveness of gypsum composites. To address these challenges, this study explores a novel strategy to incorporate PCMs into gypsum composites through fly ash cenosphere-encapsulated PCM, namely CenoPCM, aiming to enhance the mechanical properties and thermal conductivity over existing commercial counterparts. An experimental program was conducted to study the impact of the inclusion of CenoPCM on the mechanical and thermal performance of gypsum composites, and the results were compared to those of commercially available polymerencapsulated PCM benchmark (Micronal). The findings highlighted that PCM-charged samples exhibited up to 95.90 J/g (CenoPCM) of latent heat with 70 % CenoPCM loading. The results of mechanical tests also showed that CenoPCM outperformed its polymer-encapsulated counterpart, achieving 55 % higher mechanical strength on average. Here, this improvement is attributed to the rigid shell of fly ash cenosphere (FAC) serving as a PCM carrier, providing a skeleton-like structure to gypsum composites for higher load-bearing capacity. Additionally, hotbox tests demonstrated that the CenoPCM-charged wall panels yielded a 20 % higher thermal conductivity and a 22 % increased time lag compared to Micronal PCM-charged panels, indicating its potential to shift the peak load in buildings.

Ceno PCM

Space thermal control development

The results of experimental investigations on a number of various phase change materials (PCMs) and PCMs in combination with metals and other materials are reported. The evaluations include the following PCM system performance characteristics: PCM and PCM/filler thermal diffusivities, the effects of long-term thermal cycling, PCM-container compatibility, and catalyst effectiveness and stability. Three PCMs demonstrated performance acceptable enough to be considered for use in prototype aluminum thermal control devices. These three PCMs are lithium nitrate trihydrate with zinc hydroxy nitrate catalyst, acetamide, and myristic acid. Of the fillers tested, aluminum honeycomb filler was found to offer the most increase in system thermal diffusivity.

Hoover, M. J.

High-temperature thermal storage systems for advanced solar receivers materials selections

Advanced space power systems that use solar energy and Brayton or Stirling heat engines require thermal energy storage (TES) systems to operate continuously through periods of shade. The receiver storage units, key elements in both Brayton and Stirling systems, are designed to use the latent heat of fusion of phase-change materials (PCMs). The power systems under current consideration for near-future National Aeronautics and Space Administration space missions require working fluid temperatures in the 1100 to 1400 K range. The PCMs under current investigation that gave liquid temperatures within this range are the fluoride family of salts. However, these salts have low thermal conductivity, which causes large temperature gradients in the storage systems. Improvements can be obtained, however, with the use of thermal conductivity enhancements or metallic PCMs. In fact, if suitable containment materials can be found, the use of metallic PCMs would virtually eliminate the orbit associated temperature variations in TES systems. The high thermal conductivity and generally low volume change on melting of germanium and alloys based on silicon make them attractive for storage of thermal energy in space power systems. An approach to solving the containment problem, involving both chemical and physical compatibility, preparation of NiSi/NiSi2, and initial results for containment of germanium and NiSi/NiSi2, are presented.

Wilson, D. F.

Learning From Failure: Boosting Cycling Endurance of Optical Phase Change Materials

Chalcogenide phase change materials (PCMs) are a unique class of compounds whose switchable optical and electronic properties have fueled an explosion of emerging applications in microelectronics and microphotonics. Key to any application is the ability of PCMs to reliably switch between crystalline and amorphous states over a large number of cycles. While this issue has been extensively studied in the case of microelectronic memories, current PCM-based optical devices suffer from much inferior endurance. To understand the failure mechanisms limiting endurance of PCMs specifically in microphotonic devices, we have developed an on-chip resistive micro-heater platform and an automatic multi-modal characterization system to analyze cycling performance of optical PCMs. Reversible switching of large-area PCM devices over 50,000 cycles was demonstrated.

Optical phase change material

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

Harnessing Ocean Thermal Gradients Using Thermoelectric Based Submersibles for Ocean Power Applications

The urgent need for energy solutions in marine environments has accelerated the development of innovative technologies capable of leveraging natural resources for power generation. This study introduces a buoyancy-driven submersible system designed to harness ocean thermal gradients using thermoelectric generators (TEGs) and phase change materials (PCMs). The technology aims to provide autonomous power to offshore aquaculture farms, unmanned underwater vehicles (UUVs), offshore platform illumination, and ocean sensors, significantly reducing dependence on fossil fuels. Ocean thermal gradients, especially prevalent in mid-latitude regions, exhibit temperature differences between surface and deep waters ranging from 7 degrees Celsius to 30 degrees Celsius depending on seasonal variations. The proposed submersible technology utilizes TEGs to convert thermal energy from these gradients into electrical power, generating between 0.2 and 0.5 watts, while PCMs are employed to store and regulate this energy, ensuring a stable and continuous power supply. The buoyancy-driven mechanism of the submersible enhances its capability to navigate through varying depths, optimizing its exposure to different thermal gradients and maximizing energy harvesting. The performance of this submersible system is analyzed through detailed thermodynamic assessments and computational fluid dynamics (CFD) modeling focused on heat transfer. These analyzes consider real-world ocean temperature profiles and seek to refine the interaction between TEGs and PCMs to optimize energy extraction. The evaluation encompasses several key performance metrics, including power output and energy efficiency. Results confirm the potential of this innovative technology to provide a continuous and reliable power source for marine applications. By demonstrating the feasibility of using ocean thermal gradients for energy generation, this study contributes to the broader efforts of innovation in energy technologies for harsh, remote marine environments. The implementation of such promises is significant advancements in the autonomy of marine operations. The ongoing research will further investigate scalability ensuring that the system can be effectively adapted to various marine settings and operational demands.

16 TIDAL AND WAVE POWER

Making Small-Volume Heat Pump Water Heaters Larger: A Design Framework for Integrated Phase Change Material Heat Exchangers

Those that use electricity for water heating, the majority use resistive elements rather than heat pump water heaters (HPWHs), the latter of which use 60-70% less energy than the former. One major barrier to wider HPWH adoption is the added equipment required, which prevents current 50-80-gallon tanks on the market from fitting into smaller utility closets sized for 30-40 gallons, such as those found in manufactured housing. Additionally, these smaller HPWHs tend to underperform relative to their larger counterparts. One solution that addresses both space and performance concerns is thermal energy storage, and in particular, phase change materials (PCMs). PCMs have been studied extensively in building envelope and HVAC systems, but remain a nascent technology in residential water heating. While water itself has a uniquely high energy storage capacity, PCMs have an even higher energy storage density, thus providing the potential to elevate the performance of 40-gallon HPWHs to that of 50-gallon or larger tanks. This research is part of a larger project that seeks to utilize thermal energy storage to enable decarbonized water heating in low-income communities. In this study, we outline the design process used to produce novel PCM heat exchangers for use in small-volume HPWH tanks, including the identification of design constraints and performance targets relevant to real-world applications. In order to ensure optimal PCM utilization and tank storage capacity, we focus here on co-maximizing surface area and PCM volume in the heat exchangers; therefore, this research targets triply periodic minimal surface (TPMS) lattices. TPMS lattices boast enhanced heat transfer capabilities compared to traditional heat exchanger geometries and offer highly tailorable designs; thus, they pair well with the growing field of additive manufacturing, or 3D printing. Starting with a suite of TPMS lattices, we demonstrate a systematic approach for narrowing down feasible designs that comply with identified constraints while meeting PCM performance objectives.

25 ENERGY STORAGE

Radiative Cooling Paints: Application on Warehouses and Integration with Phase Change Materials

Despite extensive research on radiative cooling (RC), researchers are still working to understand its best implementation strategy and potential benefits. Understanding this could be an instrumental part of reducing building energy costs and combating climate change. In this work, we introduce two concepts to achieve this goal and broaden the application of RC paints. While building energy simulations for RC are common, most studies focus on single-layer paints in residential settings. Limited research exists on warehouses, and no literature has conducted multi-climate zone analyses or included RC technologies with >90% reflectance. As RC technology advances in efficiency, versatility, and affordability, large-scale simulations across diverse climates are crucial, particularly for warehouses as a passive indoor temperature control solution. Here, a TRNSYS-modeled single-story warehouse assesses the energy impact of BaSO4-based RC paints. Another under-explored RC application is its integration with phase change materials (PCMs), which provide thermal regulation via latent heat storage. Though RC and PCMs have been combined by placing PCMs atop, beneath, or within RC layers, studies focus on either experiments or modeling, with no validation between the two. Here, we develop a simple RC+PCM experimental and modeling setup, placing RC paint atop an aluminum cell filled with a Rubitherm PCM.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Phase-change Tunable Filters (PCTFs) for Hyperspectral Thermal Imaging

In this presentation, we introduce phase-change tunable filters (PCTFs), which are capable of actively tunable spectral filtering as well as continuous tuning (hyperspectral) across multiple IR wavebands (1–10 μm); several orders-of-magnitude faster switching speeds (GHz–MHz) than the state-of-the-art, and narrowband filtering (~50 nm passband). This technology subsystem is based on the unique electro-optics of non-volatile, phase-change materials (PCMs) such as GeSbTe and SbS. PCMs exhibit a large, reversible refractive index shift through applied energetic pulses. By integrating PCMs with established optical filter designs—whose optical properties are strongly dependent on the constituent materials’ refractive indices—we can rapidly and reversibly tune the PCTFs center wavelength (passband).

Tunable filter

Fragile-to-strong transition in liquid As 2 S 3 under pressure: The effect of melt metallization

The well-known classification of glass-forming melts into fragile and strong liquids has several notable exceptions, including water, silica, and certain phase-change materials (PCMs). These exceptional fluid systems exhibit a fragile-to-strong transition (FST) upon cooling: a transformation from a high-temperature liquid with fast atomic dynamics, low viscosity, and low flow activation energy, to a viscous supercooled melt with high energy barriers near the glass transition temperature T g . This behavior is critically important for non-volatile memories, photonic tensor cores, reconfigurable metamaterials, and other devices, that use PCMs, enabling nanosecond-scale crystallization in the fragile regime and long data retention in the strong regime near or below T g . A significant structural transformation is expected between these two viscosity regimes, along with a semiconductor-metal (SC-M) transition upon heating, driven by high internal pressure and associated density increase. By applying high external pressure to the canonical low-conducting chalcogenide melt As 2 S 3 , we observed both the FST and the SC-M transition, occurring simultaneously within the same domain of the P, T−phase space. These findings suggest that the FST is not limited to a few exceptional liquids but is a common phenomenon, at least in systems that exhibit melt metallization within specific regions of their P, T−phase diagrams.

first-principles molecular dynamics