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At least 109 records · Page 6

Dataset of simulated vibrational density of states and X-ray diffraction profiles of mechanically deformed and disordered atomic structures in Gold, Iron, Magnesium, and Silicon

This dataset is comprised of a library of atomistic structure files and corresponding X-ray diffraction (XRD) profiles and vibrational density of states (VDoS) profiles for bulk single crystal silicon (Si), gold (Au), magnesium (Mg), and iron (Fe) with and without disorder introduced into the atomic structure and with and without mechanical loading. Included with the atomistic structure files are descriptor files that measure the stress state, phase fractions, and dislocation content of the microstructures. All data was generated via molecular dynamics or molecular statics simulations using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code. This dataset can inform the understanding of how local or global changes to a materials microstructure can alter their spectroscopic and diffraction behavior across a variety of initial structure types (cubic diamond, face-centered cubic (FCC), hexagonal close-packed (HCP), and body-centered cubic (BCC) for Si, Au, Mg, and Fe, respectively) and overlapping changes to the microstructure (i.e., both disorder insertion and mechanical loading).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Dual Purpose – Heating & Cooling – Thermal Battery for Flexible and Energy-Efficient Heat Pump Systems

The integration of heat pumps with thermal energy storage (HP-TES) systems is gaining attention as a viable solution for managing peak building demand driven by immense cooling and heating loads. With growing reliance on renewable energy sources, thermal energy storage offers an excellent opportunity to mitigate mismatches in thermal load between energy supply and demand. The use of phase-change material (PCM) TES is especially promising, as PCMs offer significant latent energy storage capacity with smaller temperature glides in smaller volumes compared to other TES technologies. However, challenges arise because current HP-TES architectures can load-shift only cooling or heating, not both, requiring two systems and thus doubling cost, weight, and footprint. Furthermore, current research efforts lack specific tools and techniques to advance integrated systems from concept design to end-user application, focusing on only discharge performance. To address these challenges, this research proposes a dual-mode (heating and cooling) integrated HP-TES system that uses room-temperature PCM-TES as a high-temperature heat source in heating mode and a low-temperature heat sink in cooling mode, thereby reducing temperature lifts and compressor power. Design criteria for PCM-TES heat exchangers were developed, balancing thermal-hydraulic performance with practical constraints such as available building space and weight requirements along with PCM selection considerations such as shipping conditions, moisture exposure, and number of available cycles. A detailed transient model for HP-TES systems was developed to enable rapid annual performance assessments in any US climate zone.

42 ENGINEERING↗

Dual-season thermal energy storage-integrated heat pump system for load shifting: experiments, modeling and nationwide analysis

Here, this paper proposes and validates a dual-season thermal energy storage-integrated heat pump (TES-HP) system that shifts building electric load in both cooling and heating modes using a single phase-change TES. The design uses the TES as a heat sink for the condenser in summer and a heat source for the evaporator in winter, thereby reducing on-peak electric demand while ensuring compatible with existing air-distribution systems. A 14-kW TES-HP prototype with six operating modes and novel refrigerant charge management strategies was experimentally tested under varied conditions. Subsequently, data-driven polynomial performance curves were developed and validated against experiments, then coupled with a phase change material (PCM) model and a calibrated building model within a rule-based controller. Single-day case studies demonstrated effective on-peak demand reduction while maintaining thermal comfort. During cooling, hourly power was lowered by up to 1.5 kW; in heating, average hourly power decreased from over 3.5 kW to 1.8 kW, compared to an HP-only system, achieving 64.5 % load shifting, and the need for resistance heating was eliminated. Seasonal simulations showed typical on-peak electricity savings of 25–35 % in cooling and 40–65 % in heating, with the largest benefits on the hottest and coldest days. Extended response-surface analysis and nationwide mapping quantified load shifting as functions of ambient and TES temperatures, revealing a seasonal trade-off in TES phase-change temperature. These results demonstrate the TES-HP system as a practical and scalable solution for grid-interactive buildings that reduces on-peak demand and electricity use while maintaining thermal comfort and enhancing grid flexibility and reliability.

Grid-interactive buildings↗

Simulation and Experimental Validation of an Integrated Heat Pump – Thermal Energy Storage Using a Room-Temperature Phase Change Material

As the dependence on electrical heat pumps (HPs) and intermittent renewables increases, grid strains are expected to grow. This necessitates an energy storage system to reduce the mismatch between energy supply and demand. Thus, a proposed dual-mode commercially available 14.1 kW HP was integrated with a single 22°C phase change material (PCM) thermal storage system (TES) to load-shift both cooling and heating loads. The HP-TES system was manufactured and experimentally tested using a novel test matrix based on AHRI 210/240 psychrometric conditions. Furthermore, transient dual-mode system-level HP-TES models were developed in Modelica and validated using the experimental test conditions. Base HP cooling and heating experimental tests at ambient temperatures of 35°C and −8.3°C show that the modified HP-TES maintained the rated system capacity and performance. The HP-TES discharge provided approximately 30% and 50% reductions in cooling and heating demand, respectively. The transient HP-TES models predicted system capacity and total power input for discharge and recharge operating modes within ±4% mean percentage error, and recharge power input within ±2%, with maximum errors occurring at the equipment startup. During system operation, the sources of model deviations are first-order polynomial fits of the PCM digital scanning calorimetry (DSC) data and unaccounted supercooling in the PCM during solidification. Nonetheless, the model predictions agree with the experimental tests, demonstrating the availability of robust, accurate, and validated transient models that can be used for further validation and the development of system controls.

25 ENERGY STORAGE↗

Data and scripts associated with “When do Riverine Systems 'Feel the Burn'? Simulating How Burn Extent and Severity Modulate Hydrologic Controls on Biogeochemical Export” (v2)

This data package is associated with the publication “When do Riverine Systems 'Feel the Burn'? Simulating How Burn Extent and Severity Modulate Hydrologic Controls on Biogeochemical Export” published in Water Resources Research (Wampler et al. 2025; preprint: https://doi.org/10.22541/essoar.174438106.63564767/v1). This study used the Soil and Water Assessment Tool (SWAT), a processed based model to explore the impacts of area burned and burn severity on streamflow, nitrate, and dissolved organic carbon (DOC) in two test basins: a semi-arid, mixed land use basin and a humid, primarily forested basin. We developed 1800 wildfire scenarios that we ran in each basin: 20 different burn extents (5 to 100% by 5%), 3 different burn severities (low, moderate, and high), and 30 different post-fire precipitation scenarios. We also ran an additional 30 scenarios associated with no wildfire for the 30 post-fire precipitation scenarios. For each scenario we were interested in the change in runoff ratio (streamflow) and average concentration and annual loads (nitrate and DOC) across the wildfire scenarios. This data package contains the data and scripts required to build SWAT models for the two test basins, create and run the wildfire scenarios, and generate the data summaries and figures used in the associated manuscript. This data package was originally published in March 2025. It was updated in January 2026 (v2; new and modified files) to include the final files after the manuscript went through reviews. See the change history section below for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.

54 ENVIRONMENTAL SCIENCES↗

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Connect microstructure evolution to property degradation with validated simulation

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500$^o$C to 1500$^o$C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 $\frac{D}{m^2s}$. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Transforming nanoscale VO 2 (B) into a scalable sodium-ion electrode

The intermittent nature of renewable energies requires highly reliable grid-level energy storage approaches. A critical consideration in developing this technology is the areal capacity which determines battery performance and influences the cost of battery technology. Of related importance is finding new ways of developing scalable electrodes. In recent years, three-dimensional (3D) printing of conductive scaffolds has emerged as an alternative to overcome the scalability limitations of commercial tape cast electrodes. The research carried out in the current study demonstrates a successful scalability pathway for nanoscale VO 2 (B), a desirable cathode for sodium-ion batteries which has a nano-flower morphology with a crystallite size < 20 nm. By electrodepositing VO 2 (B) onto a graphene aerogel scaffold, we were able to achieve mass loading of over 100 mg·cm −2 and still possess an areal capacity of 10 mAh·cm −2 at a current density of 5 mA·cm −2 . Moreover, after 1000 cycles, these electrodes retained 75% to 80% of their initial capacity. Even at high loading levels, the electrodeposited VO 2 (B) exhibits pseudocapacitive material signatures such as a box-like voltammetry response, linear galvanostatic response, and no phase change upon lithiation. The scalability of the VO 2 (B) electrode is demonstrated in a series of experiments which show the areal capacity to scale upon increase in both mass loading and electrode thickness, with only small changes in specific capacity. Furthermore, this study establishes that nanoscale materials can be scaled up to achieve thick electrodes without compromising their electrochemical properties.

additive manufacturing↗

Retrofittable Thermal Switches for Dynamic Building Envelopes Integrated with Thermal Energy Storage: Preprint

Buildings in the United States consume about 40 quadrillion BTU of primary energy annually, which accounts for the nation's 40% of total energy use, 75% of all electricity use, and 35% of the net carbon emissions. Deploying thermal energy storage in the form of phase change material (PCM) in building envelopes is an effective method to reduce space heating/cooling loads, provide load shedding, and shift demand to periods of lower energy cost. However, the full potential of PCM-integrated envelopes can only be realized if the PCM undergoes complete phase change using free ambient heating/cooling, and the stored energy is effectively transferred between the exterior and the interior environments. Conventional thermal insulation (with a fixed thermal resistance) limits PCM utilization, particularly with the increasing emphasis on higher R-value in building envelopes, which negatively affects the energy-saving potential of a PCM-integrated envelope. In contrast, dynamic building envelopes integrated with PCMs provide the option of varying the thermal resistance based on the indoor and outdoor conditions, thereby enhancing utilization of free ambient cooling and heating to charge/discharge the PCM thermal storage, reducing the buildings' heating and cooling load, and shifting the peak energy demand. In this study, we demonstrate innovative retrofittable thermal switches in the form of the insertable plugs inside an insulation to provide variable thermal resistance depending on the operating temperature and direction of temperature gradient, thus allowing preferential directional heat flow. Notably, they are passive in nature, requiring no external power, and work solely based on the ambient temperature.

buildings↗

Project Phase 1 Report: Reducing Data Center Peak Cooling Demand and Energy Costs With Cold Underground Thermal Energy Storage (Cold UTES)

Cold Underground Thermal Energy Storage (Cold UTES) is an ultra-long duration grid energy storage technology. With Cold-UTES, low-cost grid power is converted to cold thermal energy and stored in the native subsurface rock at the point of use. Cold UTES is one approach within the general category of engineered geothermal systems. Cold UTES for peak-hour cooling of data centers (DCs) was studied for deployment in Maricopa County, Arizona and Loudoun County, Virgina using thermal storage capacities from 4 GWh-th to over 1,000 GWh-th (>1 Terawatt-hour). The two sites have different power and transmission systems, available grid energy resources, daily and seasonal load profiles, weather conditions, and grid regulatory requirements. The study results indicate high value for both locations and because of this, likely indicates value across most of the US and the world. The basis of the study was a 1,000 MW-e hourly electric use of DC computing and auxiliary loads, which was modeled as 1 GW-th of thermal load to a dry cooled heat rejection system - i.e. a cooling system that does not consume water. The electric power required for cooling the DC varies as the air temperature changes. In cold weather only the dry-coolers are used, with an electrical load for cooling load as low as 10 MW-e. In hot summer hours, chillers and dry- coolers are required, which raises the electrical load for cooling load to as much as 300 MW-e. The continuous and peak cooling electrical loads result in a grid interconnection requirement of no less than 1,300 MW-e. From both a grid and thermal design modeling perspective the 1.3 GW-e could either be a single facility or result from the total load at multiple sites.

15 GEOTHERMAL ENERGY↗

Advanced blade-shaped thermal energy storage device: Development and application

Thermal energy storage (TES) using phase change materials (PCMs) is a promising approach for capturing and reusing excess thermal energy, yet widespread adoption is limited by low thermal conductivity, bulky configurations, and inadequate scalability. Here, this study presents a modular, blade-shaped TES prototype designed to address these challenges. The device integrates a lightweight aluminum shell, an embedded serpentine coil for active or passive heat exchange, and a cost-effective corrugated metal mesh for enhanced PCM thermal conductivity. With thickness-to-length and thickness-to-width ratios of 0.03 and 0.08, respectively, the blade-shaped TES achieves a compact, modular form factor suitable for space-constrained applications. Experimental testing demonstrated the efficient charge and discharge behavior of blade-shaped TES, capturing PCM superheating, phase-change transitions, and subcooling dynamics, with charging and discharging efficiencies of 94.9% and 94.6%, respectively. Also, the system can potentially achieve higher energy density than that of conventional TES designs. When integrated into a household refrigerator during the study, three blade-shaped TES modules successfully shifted 100% of peak-time compressor operation to off-peak hours, reducing energy consumption while maintaining more stable compartment temperatures. The blade-shaped TES's thin geometry, modularity, and enhanced thermal performance support scalable deployment across residential, commercial, and industrial applications, providing a versatile, cost-effective solution for high-efficiency, demand-flexible thermal energy management.

Blade-shaped↗

Physical Properties of Hilti HIT-RE 500 V3 After Irradiation: Slant Shear, Tensile, Flexural, and Compressive

There are various applications in which epoxy adhesives may be used within hot-cell environments. These epoxies currently see limited use within hot cells since it is known that organics see degradation after small doses even as low as 50 kilogray (kGy). These losses in physical property strengths limit the use of these epoxies to non-structural applications. In modern construction, however, the use of epoxies to bond structural components such as rebar or threaded anchors is becoming increasingly prevalent. To employ these types of materials the Idaho National Laboratory (INL) has begun investigating the specific degradation properties of epoxies for use in structural applications in environments where radiation is present. Hilti HIT-RE 500 V3 is used extensively in new construction and renovation projects across the world. The INL has conducted various tests on this epoxy for low dose environments. These tests include tensile, flexural, compression, and slant shear tests following the American Society for Testing Material International (ASTM) standards D638, D790, D695, and C882/882M respectively. Two sample sets for each test were created where the baseline specimens were not irradiated, and another set was irradiated to an accumulated dose of approximately 50-60 kGy. All the samples were destructively tested and analyzed focusing on the change in physical properties, examples of these tests are shown in Figures 1-4. Tensile testing results indicate a 0.9% loss in maximum load capacity, a 0.5% loss in tensile stress at maximum load, a 1.4% loss in tensile strain at break, and a 15% decrease in modulus of elasticity. Flexural testing results display an increase in all the following: 12% in strain at maximum load, 10% in maximum load capacity, 5% in stress at maximum load, and 3% in young’s modulus. The compressive physical properties after irradiation display a 1% increase in maximum load, a 3% decrease in stress at yield, and a 5% decrease in modulus of elasticity. The maximum compressive stress saw no measurable change after irradiation. The slant shear specimens after irradiation displayed a 2% increase in maximum load capacity and maximum compressive stress. Though a structural analysis would have to be completed as is normal for building design the increases and decreases in the measured physical properties indicate that this material may be used for structural applications in low dose hot-cell environments without adhesive failure.

36 MATERIALS SCIENCE↗

Persistent Elevated Soot Emissions Induced by Clustered Stochastic Preignition Events

Stochastic Preignition (SPI) is an abnormal combustion phenomenon that can occur in spark-ignition engines particularly under high-load operation. SPI is characterized by uncontrolled initiation of combustion prior to spark discharge, an abnormal combustion process that can lead to severe knock events and significant engine damage. SPI has been associated with fuel properties, lubricant composition, and engine design and operation. Here, in this work, a single-cylinder test engine with a dry-sump oil system was utilized to study the SPI response of E10 and E25 fuels with a range of Reid Vapor Pressure (RVP). An automated test procedure was employed, consisting of ten square-waved load profile segments, with each segment composed of 5 min of low-load operation followed by 25 min of sustained high-load operation. These tests were replicated across multiple days of testing including a lubricant triple flush between tests, and an online Fuel in Oil diagnostic measurement. Exhaust particulate emissions were continuously measured by an AVL microsoot sensor (MSS). Elevated particulate matter emissions were observed to occur concurrently with SPI events as blooms of soot. Particularly after clustered events (i.e., multiple SPI cycles occurring within 10 consecutive engine cycles), high soot emissions were observed to persist over several days of sequential operation despite daily lubricant changes, a complete warm-up procedure, and sustained low-load operation between test segments. This result implies that the particulate emissions trends may be dominated by deposit-based effects, where higher load operation is needed to alter deposition and formation processes. The observed soot blooms were also found to correspond to a reduction in the engine fueling and the fuel engine oil dilution rate despite the engine exhaust remaining at stoichiometric exhaust operation. These observations suggest that post-SPI events, pathways for lubricant migration and consumption into the combustion chamber may occur until these pathways are closed from deposit formation or ring dynamics during extended operation. These observed sooting propensity persisted with all fuels tests, but a linear correlation was observed between the summation of soot and particulate matter index (PMI) value for each fuel as well as SPI events, proving that PMI is a crucial fuel property for reducing SPI.

Splitter, Derek [Oak Ridge National Laboratory (OR↗

Morphology of poly-3-hexyl-thiophene blends with styrene–isoprene–styrene block-copolymer elastomers from X-ray and neutron scattering

The nano- and micron scale morphology of poly(3-hexylthiophene) (P3HT) and polystyrene-block-polyisoprene-block-polystyrene (PS–PI–PS) elastomeric blends is investigated through the use of ultra-small and small angle X-ray and neutron scattering (USAXS, SAXS, SANS). It is demonstrated that loading P3HT into elastomer matrices is possible with little distortion of the elastomeric structure up to a loading of ~5 wt%. Increased loadings of conjugated polymer is found to significantly distort the matrix structure. Changes in processing conditions are also found to affect the blend morphology with especially strong dependence on processing temperature. Processing temperatures above the glass transition temperature (T g ) of polystyrene and the melting temperature (T m ) of the conjugated polymer additive (P3HT) creates significantly more organized mesophase domains. P3HT blends with PS–PI–PS can also be flow-aligned through processing, which results in an anisotropic structure that could be useful for the generation of anisotropic properties (e.g. conductivity). Moreover, the extent of flow alignment is significantly affected by the P3HT loading in the PS–PI–PS matrix. The work adds insight to the morphological understanding of a complex P3HT and PS–PI–PS polymer blend as conjugated polymer is added to the system. Here, we also provide studies isolating the effect of processing changes aiding in the understanding of the structural changes in this elastomeric conjugated polymer blend.

36 MATERIALS SCIENCE↗

An analysis of alcohol compression ignition strategies on different engine platforms

Strategies that enable ignition of the low cetane alcohol fuels (methanol and ethanol) include intake heating (direct or via hot residual trapping), increased compression ratio (CR), multi-injection strategies, ignition enhancers, and active prechambers. The literature consistently shows alcohol compression ignition (CI) is more efficient than diesel at high loads irrespective of ignition strategy but shows contradictory results at low loads. To understand this, this work combines data from four different engine platforms ranging from a displaced volume of 0.4 to 2.1 L/cyl. using different alcohol CI ignition strategies. Using modeling to support experimental analysis, alcohol-specific efficiency penalties are highlighted to inform alcohol combustion system development. The alcohols’ lower energy density means more fuel must be injected near top dead center to achieve a given load, increasing the relative penalty of sensible/latent heating. Pilot injections help reduce this penalty. Intake heating incurs both a heat transfer penalty and a thermodynamic penalty due to a reduced ratio of specific heats during compression. A strategy that combines elevated CR, large pilot injections, and ignition enhancers can avoid this penalty. Alternatively, a prechamber strategy can achieve this without changing the CR, nor needing ignition enhancers in the fuel. At low loads, diesel burns in a partially premixed mode characterized by high burn rates and low heat losses, reducing alcohol-specific combustion benefits. Alcohol CI on the light-duty platform showed abnormally high heat transfer over diesel compared to other platforms, favoring a more premixed/partially premixed strategy despite a combustion efficiency tradeoff.

33 ADVANCED PROPULSION SYSTEMS↗

Pelletization with Spark Plasma Sintering and Characterization of Metal Iodides: An Assessment of Long-Term Radioiodine Immobilization Options

Four promising iodine “getter” materials (Ag, Cu, Bi, and Sn) for radioiodine capture were assessed in their pure metal-iodide (MI x ) pelletized forms to compare relative chemical durabilities. To study chemical durability, commercial MI x compounds of AgI, BiI 3 , BiOI, CuI, and SnI 4 were converted to dense monolithic pellets using spark plasma sintering. Semidynamic leach testing in the form of modified ASTM C1308 tests was then performed on the pellets in two different forms including unmounted (as-pressed) specimens (i.e., “U”) and epoxy-mounted specimens (i.e., “M”) with polished surfaces. The chemical durability results and sample characterizations showed that three of the five MI x compounds tested (i.e., AgI, CuI, and BiOI) displayed moderate to high leach resistances. Further, the remaining two MI x compounds (i.e., BiI 3 and SnI 4 ), which are both desirable iodine waste forms due to their high iodine loading capacities, readily decomposed during leach testing, indicated by crystallographic changes in the specimens as well as large amounts of iodine detected in the leachate solutions. The instabilities of BiI 3 and SnI 4 raise uncertainties for using the base metals/cations (i.e., Bi 0 /Bi 3+ and Sn 0 /Sn 4+ , respectively) as viable getters for radioiodine capture due to likely poor waste form chemical durabilities after capture and consolidation into waste forms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Glauber’s Salt Composites for HVAC Applications: A Study on the Use of the T-History Method with a Modified Data Evaluation Methodology

Phase change materials (PCMs) can be utilized in buildings for peak load shifting in air conditioning systems, and the use of salt hydrate-based PCMs can reduce the cost of thermal energy storage devices. Glauber’s salt is an economical salt hydrate PCM with a melting point of around 32 °C. However, the desired melting range typically falls between 18 and 22 °C for building air conditioning applications. Although many researchers have characterized Glauber’s salt and its composites with modified melting points, enthalpy–temperature curves for composites of Glauber’s salt and NaCl are unavailable. In this study, we report the melting and solidification enthalpy–temperature curves for two different composites of Glauber’s salt and NaCl with a melting point of 21 °C obtained by the T-history method. Both composites contain NaCl to suppress the melting point, borax to reduce supercooling, and sodium polyacrylate as a thickener to enhance cyclic stability. The first composite with 12 wt.% NaCl demonstrated 139 kJ·kg−1 of latent heat of fusion, and the second composite with 9 wt.% NaCl demonstrated 171 kJ·kg−1. Both the composites have high volumetric energy densities compared to their organic counterparts with similar melting points.

Chemistry↗

Fast Charging Infrastructure for Electrifying Road Trips to and from National Parks in the Western United States

This study investigated the fast-charging infrastructure needed by 2030 to enable seamless electrified road trips to and from national parks and monuments in seven western states: Washington, Oregon, Idaho, Wyoming, Utah, Nevada, and Arizona. It also estimated impacts to the electric grid. The research team investigated how on-route charging infrastructure projections change with different parameters or assumptions, as do related charging loads and grid impacts. NREL conducted the study in partnership with utility service provider PacifiCorp and Utah State University as part of the Western Smart Regional EV Adoption and Infrastructure at Scale project.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗