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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

PERFORMANCE EVALUATION OF A SUSTAINABLE AND ENERGY EFFICIENT RE-ROOFING TECHNOLOGY USING FIELD-TEST DATA

Three test attics were constructed to evaluate a new sustainable method of re-roofing utilizing photo-voltaic (PV) laminates, metal roofing panels, and PCM heat sink in the Envelope Systems Research Apparatus (ESRA) facility in the ORNL campus. Figure 1 is a picture of the three attic roofs located adjacent to each other. The leftmost roof is the conventional shingle roof, followed by the metal panel roof incorporating the cool-roof coating, and third from left is the roof with the PCM. On the PCM roof, the PV panels are seen as well; they're labelled from left-to-right as panels 5, 6 and 7. The metal panel roof consists of three metal panels with the cool-roof coating; in further discussion this is referred to as the infrared reflective (IRR) metal roof. The IRR metal panels reflect the incoming solar radiation and then quickly re-emit the remaining absorbed portion, thereby reducing the solar heat gain of the attic. Surface reflectance of the panels were measured using a Solar Spectrum Reflectometer. In the 0.35-2.0 {mu}m wavelength interval, which accounts for more than 94% of the solar energy, the IRR panels have an average reflectance of 0.303. In the infrared portion of the spectrum, the IRR panel reflectance is 0.633. The PCM roof consists of a layer of macro-encapsulated bio-based PCM at the bottom, followed by a 2-cm thick layer of dense fiberglass insulation with a reflective surface on top, and metal panels with pre-installed PV laminates on top. The PCM has a melting point of 29 C (84.2 F) and total enthalpy between 180 and 190 J/g. The PCM was macro-packaged in between two layers of heavy-duty plastic foil forming arrays of PCM cells. Two air cavities, between PCM cells and above the fiberglass insulation, helped the over-the-deck natural air ventilation. It is anticipated that during summer, this extra ventilation will help in reducing the attic-generated cooling loads. The extra ventilation, in conjunction with the PCM heat sink, are used to minimize thermal stresses due to the PV laminates on sunny days. In PV laminates sunlight is converted into electricity and heat simultaneous. In case of building integrated applications, a relatively high solar absorption of amorphous silicon laminates can be utilized during the winter for solar heating purposes with PCM providing necessary heat storage capacity. However, PV laminates may also generate increased building cooling loads during the summer months. Therefore, in this project, the PCM heat sink was to minimize summer heat gains as well. The PCM-fibreglass-PV assembly and the IRR metal panels are capable of being installed directly on top of existing shingle roofs during re-roofing, precluding the need for recycling or disposal of waste materials. The PV laminates installed on the PCM attic are PVL-144 models from Uni-Solar. Each laminate contains 22 triple junction amorphous silicon solar cells connected in series. The silicon cells are of dimensions 356 mm x 239 mm (14-in. x 9.4-in.). The PVL-144 laminate is encapsulated in durable ETFE (poly-ethylene-co-tetrafluoroethylene) high light-transmissive polymer. Table 1 lists the power, voltage and current ratings of the PVL-144 panel.

14 SOLAR ENERGY↗
DOE OSTI2010

Sacroplasty for Local or Massive Localization of Multiple Myeloma

The purpose of this study was to assess the efficacy of cementoplasty in the treatment of sacral multiple myelomas. We retrospectively reviewed the records of eight patients (four women and four men; age range 47-68 years; mean age 57.8) who underwent cementoplasty for painful osteolytic localization of multiple myeloma between April 2007 and May 2009. The patients had difficulty walking because of increasing pain. Six patients had persistent pain despite other cementoplasties for vertebral and femoral localization, whereas two patients referred at the time of diagnosis had only sacral lesions. The clinical indication for treatment was (1) a pain intensity score {>=}5 on visual analogue scale (VAS) and (2) pain totally or partially refractory to analgesic treatment in patients with a life expectancy >3 months. Technical planning was based on computed tomography and/or magnetic resonance imaging. Six patients had previously undergone radiotherapy or chemotherapy and were receiving varying doses of analgesics, whereas sacroplasty represented the first treatment for two patients. Five patients had monolateral local involvement, and the other patients had massive involvement of the sacrum; Technical success was achieved in all cases. We had only one small and asymptomatic foraminal leak. All patients experienced improvement in symptoms after the procedure, as demonstrated by improved VAS scores and performance status (PS) and decreased analgesic dose constant during follow-up. In our experience, percutaneous stabilization can be used effectively and safely in patients with focal or extensive involvement of the sacrum by multiple myeloma.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Layered oxide, graphite and silicon-graphite electrodes for Lithium-ion cells: Effect of electrolyte composition and cycling windows

The electrochemical performance of cells with a Li 1.03 (Ni 0.5 Co 0.2 Mn 0.3 ) 0.97 O 2 (NCM523) positive electrode and a blended silicon-graphite (Si-Gr) negative electrode are investigated using various electrolyte compositions and voltage cycling windows. Voltage profiles of the blended Si-Gr electrode show a superposition of graphite potential plateaus on a sloped Si profile with a large potential hysteresis. The effect of this hysteresis is seen in the cell impedance versus voltage data, which are distinctly different for the charge and discharge cycles. We confirm that the addition of compounds, such as vinylene carbonate (VC) and fluoroethylene carbonate (FEC) to the baseline 1.2 M LiPF 6 in ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7 w/w) electrolyte, improves cell capacity retention with higher retention seen at higher additive contents. We show that reducing the lower cutoff voltage (LCV) of full cells to 2.5 V increases the Si-Gr electrode potential to 1.12 V vs. Li/Li + ; this relatively-high delithiation potential correlates with the lower capacity retention displayed by the cell. Hence, we show that raising the upper cutoff voltage (UCV) can increase cell energy density without significantly altering capacity retention over 100 charge discharge cycles.

25 ENERGY STORAGE↗
DOE OSTI2023

Investigation of thermal hydraulic behavior of the High Temperature Test Facility's lower plenum via large eddy simulation

A high-fidelity computational fluid dynamics (CFD) analysis was performed using the Large Eddy Simulation (LES) model for the lower plenum of the High–Temperature Test Facility (HTTF), a ¼ scale test facility of the modular high temperature gas-cooled reactor (MHTGR) managed by Oregon State University. In most next–generation nuclear reactors, thermal stress due to thermal striping is one of the risks to be curiously considered. This is also true for HTGRs, especially since the exhaust helium gas temperature is high. In order to evaluate these risks and performance, organizations in the United States led by the OECD NEA are conducting a thermal hydraulic code benchmark for HTGR, and the test facility used for this benchmark is HTTF. HTTF can perform experiments in both normal and accident situations and provide high-quality experimental data. However, it is difficult to provide sufficient data for benchmarking through experiments, and there is a problem with the reliability of CFD analysis results based on Reynolds–averaged Navier–Stokes to analyze thermal hydraulic behavior without verification. To solve this problem, high-fidelity 3-D CFD analysis was performed using the LES model for HTTF. It was also verified that the LES model can properly simulate this jet mixing phenomenon via a unit cell test that provides experimental information. As a result of CFD analysis, the lower the dependency of the sub-grid scale model, the closer to the actual analysis result. In the case of unit cell test CFD analysis and HTTF CFD analysis, the volume-averaged sub-grid scale model dependency was calculated to be 13.0% and 9.16%, respectively. As a result of HTTF analysis, quantitative data of the fluid inside the HTTF lower plenum was provided in this paper. As a result of qualitative analysis, the temperature was highest at the center of the lower plenum, while the temperature fluctuation was highest near the edge of the lower plenum wall. The power spectral density of temperature was analyzed via fast Fourier transform (FFT) for specific points on the center and side of the lower plenum. FFT results did not reveal specific frequency-dominant temperature fluctuations in the center part. It was confirmed that the temperature power spectral density (PSD) at the top increased from the center to the wake. The vortex was visualized using the well-known scalar Q-criterion, and as a result, the closer to the outlet duct, the greater the influence of the mainstream, so that the inflow jet vortex was dissipated and mixed at the top of the lower plenum. Additionally, FFT analysis was performed on the support structure near the corner of the lower plenum with large temperature fluctuations, and as a result, it was confirmed that the temperature fluctuation of the flow did not have a significant effect near the corner wall. In addition, the vortices generated from the lower plenum to the outlet duct were identified in this paper. It is considered that the quantitative and qualitative results presented in this paper will serve as reference data for the benchmark.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Maritime Fuel Cell Generator Project: 2018 – 2023

This report summarizes activity in the Maritime Fuel Cell (MarFC) Generator Project from 2018 – 2023. FY 2018 saw the implementation of upgrades and repairs, making the unit more reliable and operator friendly. In FY2019 the team engaged the Scripps Institution of Oceanography (SIO) to use the MarFC to provide zero-emission shore power to the research vessel R/V Robert Gordon Sproul while in port at the Nimitz Marine Facility in San Diego, CA. In FY2020, the MarFC unit was shipped to San Diego, CA. A fueling contract with IGX was established to support MarFC operations at SIO, with renewable hydrogen provided by the California State University Los Angeles (CSULA) hydrogen station. The project team (Sandia, Cummins/Hydrogenics) provided training to SIO staff on the technical details of the MarFC, the safe use of hydrogen in general and the MarFC in particular. The first fueling of the unit at the SIO pier was successfully completed by IGX. The first powering of a vessel with fuel-cell shore power was conducted with the R/V Robert Gordon Sproul. While the mechanical systems (lights, AC, ventilation, hydraulics, pumps and cranes) were powered without incident, problems arose when powering the computer systems. Inspections carried out in FY2021 revealed the MarFC needed routine maintenance. Maintenance was performed and the unit was upgraded. The MarFC was turned on after the year pause, and initial test data on power levels and stability were collected. FY2022 was a year spent repairing, upgrading and testing the MarFC unit. Spikes in power and voltage were observed above 60 kW that could potentially extend below 60 kW with time. Such spikes could cause problems with the Sproul electrical systems. These age-related problems, the extended time for the Sproul spent in dry dock for scheduled upgrades, and the associated need to reschedule the vessel’s high-priority science missions made it no longer possible to deploy the unit at SIO. After due consideration, the decision was made by DOE, MARAD and the project team to cease the deployment, remove the MarFC from SIO, and not pursue further deployment activities. On December 2, 2022, the MarFC unit was removed from the Scripps Nimitz Marine Facility and shipped to Fridley, Michigan. The Cummins/Hydrogenics plan for the unit is to assess the condition of the MarFC subcomponents, and then use it as a training/learning system for technical employees new to hydrogen fuel-cell technology. After summarizing project activity from 2018 – 2023, this report provides a review of lessons learned. This report provides next steps in contemplating a follow-on project that would further advance the use of fuel-cell-based shore power in a marine setting. A comparison is made of the project results to the original objectives. This report ends with an accounting of presentations stemming from the project, and a list of references.

08 HYDROGEN↗
DOE OSTI2020

AGC-4 Experiment Irradiation Monitoring Data Qualification Final Report

The Graphite Technology Development Program ran a series of six experiments to quantify the effects of irradiation on nuclear grade graphite. This report focuses on the fourth experiment, Advanced Graphite Creep 4 (AGC 4). The Advanced Reactor Development (ARD) Technology Development Office (TDO) Program for research and development activities require documentation of qualified monitoring data to design and license the first high-temperature reactor nuclear plant. Qualified data meets the requirements for use as described in the experiment planning and quality assurance documents. Failed data do not meet the requirements and provide no useable information. Trend data may not meet all requirements but still provide some useable information. Use of Trend data requires assessment of how any deficiencies affect a particular use of the data. AGC-4 began with Advanced Test Reactor (ATR) Cycle 157D on May 30, 2015. After irradiating the graphite for two cycles, the capsule was removed from the reactor after ATR Cycle 158A, which ended on January 2, 2016, due to interference with another experiment. Irradiation was resumed with Cycle 162A on October 7, 2017 after the interfering experiment was removed from the reactor. AGC-4 irradiation completed by the end of Cycle 166B on January 10, 2020. Between Cycles 162A and 166B, AGC-4 capsule was removed from the reactor core during two Powered Axial Locator Mechanism (PALM) Cycles 163A and 165A to avoid overheating. All thermocouples (TCs) have functioned throughout the AGC-4 experiment. A total of 9,256,184 out of all 11,167,213 temperature records (or 82.9%) are Qualified for use by the ARD Program and 1,911,029 missing values are Failed. Argon, helium, and total gas flow data were within expected ranges, except only eight out-of-range values occurred during outages. A total of 21,240,627 out of all 22,288,5103 gas flow rates (or 92.8%) are Qualified for use by the ARD Program and 1,644,476 are Failed records mostly due to missing values. Discharge gas line moisture values were consistently low during full ATR power, except for 162B, when moisture content was increasing to more than 200 ppmv by the end of this cycle. During outages, moisture content reached as high as 700 ppmv. 1,089,941 out of a total of 1,107,331 moisture values (or 98.4%) are within the measurement range of the instrument and are Qualified for use by the ARD Program and 17,390 missing moisture values are Failed. Graphite creep specimens were subjected to one of three loads: 393, 491, or 589 lbf. For a brief period during Cycle 157D between 12:19 on June 2, 2015, and 08:23 on June 11, 2015, the load cells were wired incorrectly, resulting in missing stack load data. Missing stack loads were estimated from measured ram pressures using regression equations developed from the existing data from Cycle 157D. Estimated stack loads during this period are considered to be an accurate representation of actual load applied to the stacks. These loads deviate slightly from the planned loads. This deviation does not prevent the data from being Qualified for use but must be taken into account when analyzing the effect of load on creep. 6,095,728 out of a total of 6,403,985 moisture values (or 95.2%) are within the measurement range of the instrument and are Qualified for use by the ARD Program and 308,257 missing load values are Failed. Stack displacement increased consistently throughout the eight cycles, with total displacement reached highest value of 2.4 in by the end of irradiation. During ATR outages, a set of pneumatic rams raised the stacks of graphite creep specimens to ensure the specimens were not stuck within the test train. This stack raising was performed seven times throughout irradiation. All stacks were raised successfully each time. 4,744,974 out of a total of 6,094,513 displacement values (or 77.9%) are within the measurement range of the instrument and are Qualified for use by the ARD Program and 1,349,539 displacement values are Failed mostly due to missing values. Analyses were conducted on correlations between TCs to look for trends and step changes that might indicate instrument degradation or failure. Correlation analysis was used to identify instances when TCs form short circuits, referred to as virtual junctions, which result in TCs reporting temperatures from some location in the capsule other than the location where they were intended to read. No evidence of virtual junctions was found. Analyses were also conducted on control charts of temperature differences of between two TCs, which are expected to behave consistently throughout the entire irradiation period. Upward or downward trend over time indicates at least one TC in the pair was drifted. Examining control charts for all 66 possible pairs out of twelve TCs installed in the AGC-4 capsules reveal no clear drift failures occurred, except unstable behavior of two TCs in Zone 3, TC-7 and TC-8, over irradiation time. In conclus

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Photoelectrochemically Self Improving Si/GaN Photocathode: Figure 4a Raw Data

Calculated formation energy of (0001 ̅) c-plane GaN surfaces. The density-functional theory (DFT) calculations were performed with the generalized gradient approximation, using the plane-wave pseudopotential quantum-ESPRESSO package. Ultrasoft pseudopotentials were used to describe the interaction between valence electrons and ionic cores, where Ga 3d electrons were explicitly treated as valence electrons. The wave functions and electronic density were expanded in a plane-wave basis set truncated at a cutoff energy of 30 Ry and 240 Ry, respectively. The surface was modeled using a repeated slab geometry using a (2×2) unit cell with a thickness of seven GaN bilayers, where the Ga-terminated bottom side was passivated by pseudo-hydrogen with charge of 1.25e. In addition, the (1010) surface was modeled using 8 GaN atomic layers with a lateral dimension of 9.57 Å x 10.38 Å. A vacuum width of at least 15.0 Å was introduced between consecutive slabs, and a k-point mesh of 5x5x1 and 2x2x1 was used to sample the surface Brillouin zone for the polar and non-polar surfaces, respectively. Calculated formation energy of (0001 ̅) c-plane GaN surfaces with different oxygen configuration within the anion and cation-rich limits: ideal GaN surfaces of c-plane and m-plane; configurations with 100% replacement of nitrogen by oxygen on the surface c-plane and m-plane; 100% replacement of nitrogen by oxygen in the subsurface bilayer c-plane and m-plane; and configurations with 50% replacement of nitrogen of the surface and subsurface bilayers by oxygens c-plane and m-plane. In both cases, the ideal surface is chosen as the reference.

photocathode↗
DOE OSTI2021

Photoelectrochemically Self Improving Si/GaN Photocathode: Figure 4b Raw Data

Calculated formation energy of (1010 ̅) m-plane GaN surfaces. The density-functional theory (DFT) calculations were performed with the generalized gradient approximation, using the plane-wave pseudopotential quantum-ESPRESSO package. Ultrasoft pseudopotentials were used to describe the interaction between valence electrons and ionic cores, where Ga 3d electrons were explicitly treated as valence electrons. The wave functions and electronic density were expanded in a plane-wave basis set truncated at a cutoff energy of 30 Ry and 240 Ry, respectively. The surface was modeled using a repeated slab geometry using a (2×2) unit cell with a thickness of seven GaN bilayers, where the Ga-terminated bottom side was passivated by pseudo-hydrogen with charge of 1.25e. In addition, the (1010) surface was modeled using 8 GaN atomic layers with a lateral dimension of 9.57 Å x 10.38 Å. A vacuum width of at least 15.0 Å was introduced between consecutive slabs, and a k-point mesh of 5x5x1 and 2x2x1 was used to sample the surface Brillouin zone for the polar and non-polar surfaces, respectively. Calculated formation energy of (1010 ̅) m-plane GaN surfaces with different oxygen configuration within the anion and cation-rich limits: ideal GaN surfaces of c-plane and m-plane; configurations with 100% replacement of nitrogen by oxygen on the surface c-plane and m-plane; 100% replacement of nitrogen by oxygen in the subsurface bilayer c-plane and m-plane; and configurations with 50% replacement of nitrogen of the surface and subsurface bilayers by oxygens c-plane and m-plane. In both cases, the ideal surface is chosen as the reference.

photocathode↗
DOE OSTI2011

Irradiation Planning for Fully-Ceramic Micro-encsapsulated fuel in ATR at LWR-relevant conditions: year-end report on FY-2011

This report presents the estimation of required ATR irradiation levels for the DB-FCM fuel design (fueled with Pu and MAs). The fuel and assembly designs are those considered in a companion report [R. S. Sen et al., FCR&D-2011- 00037 or INL/EXT-11-23269]. These results, pertaining to the DB-FCM fuel, are definitive in as much as the design of said fuel is definitive. In addition to the work performed, as required, for DB-FCM fuel, work has started in a preliminary fashion on single-cell UO2 and UN fuels. These latter activities go beyond the original charter of this project and although the corresponding work is incomplete, significant progress has been achieved. However, in this context, all that has been achieved is only preliminary because the corresponding fuel designs are neither finalized nor optimized. In particular, the UO2 case is unlikely to result in a viable fuel design if limited to enrichment at or under 20 weight % in U-235. The UN fuel allows reasonable length cycles and is likely to make an optimal design possible. Despite being limited to preliminary designs and offering only preliminary conclusions, the irradiation planning tasks for UO2 and UN fuels that are summarized in this report are useful to the overall goal of devising and deploying FCM-LWR fuel since the methods acquired and tested in this project and the overall procedure for planning will be available for planning tests for the finalized fuel design. Indeed, once the fuel design is finalized and the expected burnup level is determined, the methodology that has been assembled will allow the prompt finalization of the neutronic planning of the irradiation experiment and would provide guidance on the expected experimental performance of the fuel. Deviations from the expected behavior will then have to be analyzed and the outcome of the analysis may be corrections or modifications for the assessment models as well as, possibly, fuel design modifications, and perhaps even variation of experimental control for future experimental phases. Besides the prediction of irradiation times, preliminary work was carried out on other aspects of irradiation planning. In particular, a method for evaluating the interplay of depletion, material performance modeling and irradiation is identified by reference to a companion report. Another area that was addressed in a preliminary fashion is the identification and selection of a strategy for the physical and mechanical design of the irradiation experiments. The principal conclusion is that the similarity between the FCM fuel and the fuel compacts of the Next Generation Nuclear Plant prismatic design are strong enough to warrant using irradiation hardware designs and instrumentation adapted from the AGR irradiation tests. Modifications, if found necessary, will probably be few and small, except as pertains to the water environment and its implications on the use of SiC cladding or SiC matrix with no additional cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2011

DOE Hydrogen, Fuel Cells and Infrastructure Technologies Program Integrated Hydrogen Production, Purification and Compression System

The project was started in April 2005 with the objective to meet the DOE target of delivered hydrogen of <$1.50/gge, which was later revised by DOE to $2-$3/gge range for hydrogen to be competitive with gasoline as a fuel for vehicles. For small, on-site hydrogen plants being evaluated at the time for refueling stations (the 'forecourt'), it was determined that capital cost is the main contributor to the high cost of delivered hydrogen. The concept of this project was to reduce the cost by combining unit operations for the entire generation, purification, and compression system (refer to Figure 1). To accomplish this, the Fluid Bed Membrane Reactor (FBMR) developed by MRT was used. The FBMR has hydrogen selective, palladium-alloy membrane modules immersed in the reformer vessel, thereby directly producing high purity hydrogen in a single step. The continuous removal of pure hydrogen from the reformer pushes the equilibrium 'forward', thereby maximizing the productivity with an associated reduction in the cost of product hydrogen. Additional gains were envisaged by the integration of the novel Metal Hydride Hydrogen Compressor (MHC) developed by Ergenics, which compresses hydrogen from 0.5 bar (7 psia) to 350 bar (5,076 psia) or higher in a single unit using thermal energy. Excess energy from the reformer provides up to 25% of the power used for driving the hydride compressor so that system integration improved efficiency. Hydrogen from the membrane reformer is of very high, fuel cell vehicle (FCV) quality (purity over 99.99%), eliminating the need for a separate purification step. The hydride compressor maintains hydrogen purity because it does not have dynamic seals or lubricating oil. The project team set out to integrate the membrane reformer developed by MRT and the hydride compression system developed by Ergenics in a single package. This was expected to result in lower cost and higher efficiency compared to conventional hydrogen production technologies. The overall objective was to develop an integrated system to directly produce high pressure, high-purity hydrogen from a single unit, which can meet the DOE cost H2 cost target of $2 - $3/gge when mass produced. The project was divided into two phases with the following tasks and corresponding milestones, targets and decision points. Phase 1 - Task 1 - Verify feasibility of the concept, perform a detailed techno-economic analysis, and develop a test plan; and Task 2: Build and experimentally test a Proof of Concept (POC) integrated membrane reformer/metal hydride compressor system. Phase 2 - Task 3: Build an Advanced Prototype (AP) system with modifications based on POC learning and demonstrate at a commercial site; and Task 4: Complete final product design for mass manufacturing units capable of achieving DOE 2010 H2 cost and performance targets.

02 PETROLEUM↗
DOE OSTI2016

Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: A systematic molecular design study

Here, rhodamines are chromophores that are employed in many dye applications. Their strong optical absorption in the visible region of the electromagnetic spectrum renders them attractive dye candidates for dye-sensitized solar cells (DSCs). However, they have not yet been systematically tested in DSCs as single- or co-sensitizers. Recent advances in concerted experimental and computational workflows involving molecular design protocols can afford a better understanding of the molecular origins of the optoelectronic properties in these sensitizers. Herein, we examine the suitability of rhodamines R560 (1), R575 (2), R590 (3), R610 (4), R620 (5), R640 (6), and R3B (7) as chromophores in co-sensitized DSCs. Our study follows a stepwise approach. Initially, structural and optical properties of the dyes are investigated by experimental and computational methods to reveal structure-property relationships and other useful features for DSC applications. Subsequently, 1-7 are investigated at the dye···TiO 2 interface, both by calculations of dye-adsorption onto the surface of a modeled (TiO 2 ) 9 cluster, and by experimental studies of dye-adsorption on TiO 2 . For that purpose, a selection of rhodamine dyes are paired together (1 and 5) and (1 and 7) for co-sensitization, among which 5 is also co-adsorbed with a fluorescein dye in order to explore chemical compatibility factors. The best dye candidates are identified from the findings of these adsorption studies in terms of dye aggregation, anchoring modes, and panchromatic response. Despite their promising dye…TiO 2 adsorption and optical prospects, our results show that rhodamines lack a suitable intramolecular charge transfer pathway for dye-to-TiO 2 electron injection to occur, thus precluding their photovoltaic function as DSC dyes. Our results are then assessed against ostensibly disparate reports of rhodamines performing successfully in DSC devices; this comparison necessitated the internal reproduction of previously reported co-sensitization experiments on 2 with the industrial standard reference dye, N3. We achieve reconciliation between our results and those in the literature by reasoning that while rhodamines cannot deliver photovoltaic function in DSCs in their own right, they can either act to facilitate or deplete the photovoltaic output of a DSC indirectly by affecting the TiO 2 adsorption prospects of a photovoltaic-active dye with which a rhodamine is co-sensitized.

14 SOLAR ENERGY↗
DOE OSTI2015

A Dual Stage Sodium Thermo-Electro-Chemical Converter

The need for reliable and distributable energy sources is evident given the current forecasting of the world’s energy demand [1]. One prominent obstacle is the lack of an efficient direct heat-to-electricity conversion technology. The sodium thermo-electro-chemical converter (Na-TECC) is a highly efficient thermally regenerative electrochemical system (TRES) that can fill this void. The advantage of the Na-TECC over other direct conversion technologies is that it is a closed device (unlike fuel cells) requiring nothing more than a heat input (similar to thermoelectrics). It also has a high power density (> 1 W/cm2) and specific power up to 0.5 kW/kg , with the potential to achieve > 45% heat to electricity conversion efficiencies [2]. Furthermore, the converter rejects heat at a temperature hot enough to make it amenable for cogeneration, potentially under air-cooled operation. This electrochemical technology uses a special ion-selective solid-electrolyte called beta-alumina (Na2O•11Al2O3), that is highly conductive to sodium cations. A more conducting variation of this compound is beta”-alumina (Na2O•MgO•5Al2O3), where the magnesium acts as a stabilizer [3]. In the device, liquid sodium enters an evaporator where it is heated isobarically and vaporizes. The vapor is then oxidized at the interface between the anode and the solid-electrolyte. The Na-TECC generates electric power by allowing the high pressure oxidized sodium vapor ions to expand isothermally through the solid-electrolyte from the anode to the cathode. The liberated electrons are simultaneously conducted through an external load and recombine with the cations at the cathode. The low pressure sodium vapor is subsequently condensed and a wick pumps the liquid into the high pressure plenum to complete the cycle. Previous Na-TECCs have achieved efficiencies of 18% due to practical losses, whereas the potential efficiencies are above 45% [4]. Thermodynamic limitations and design constraints have limited previous devices from attaining these record efficiencies. Specifically, the maximum potential voltage in these previous devices was substantially reduced by the kinetic limitations of the charge transfer in the cathode (referred to as the overpotential) and by Joule heating losses due to the solid-electrolyte resistance, electrode resistance, and current collector resistance. Moreover, previous devices experienced a steady loss in performance throughout their lifetime. The drop in performance has been attributed to the electrolyte undergoing thermal and chemical breakdown due to crack propagation, loss of sodium oxide, and the formation of molten dendrites that create electrical shorts [5]. Finally, previous designs have also had a substantial problem with proper thermal management, with some showing thermal losses as great as 50% of the heat input. To improve the efficiency, a dual stage conversion process is being explored. Rather than using one isothermal expansion step, the dual cycle will employ two separate electrolytes to allow two separate expansion steps: one at the high temperature, and another at an intermediate temperature. This new cycle is thermodynamically favorable as it allows for regeneration from the isobaric cooling of the first expansion step, and reheat to complete the expansion in the second step. This allows the engine to reach a lower condenser temperature than its single stage counterpart, thus increasing the overall efficiency. The temperature drop across each electrolyte in the dual stage device (e.g., ~ 400 K) is smaller than the temperature drop across a comparable single stage device (e.g., ~ 800 K). This is amenable for better thermal management and allows for less heat loss. This will also mitigate the thermal shock across the very thin (< 1 mm) solid electrolytes, reduce crack propagation and limit the percolation of the molten dendrites, and ultimately increase the lifetime of the device. As an additional benefit the dual stage can be designed using planer geometries, rather than tubular geometries used in previous single stage models, which can be manufactured less expensively. This modified geometry can be tailored to improve the thermal management by reducing the radiation losses, which has been the biggest source of thermal losses [2]. A dual stage concept for the Na-TECC has never been demonstrated in literature. In this presentation, the operation of a single stage device will be revisited and, by adopting concepts used for similar converters, the thermodynamic operation of the dual stage will be developed [6]. Using the dual stage approach, the efficiency and power equations have been redefined to include regeneration and reheat. Questions such as what current densities optimize the power output or which intermediate temperature maximizes the efficiency will also be answered. Initial calculations of the dual stage show that the thermal management is the most sensitive parameter. Although the ideal voltage produced by the dual stage can be higher, there are potential drawbacks. For example, by using a lower condenser temperature the dual stage device will have a higher open circuit voltage, but it will also have a larger overpotential due to the limited cathodic kinetics that occur at a lower temperature. In short, there are several trade-offs in this device that need to be balanced. It will be demonstrated that the dual stage device must have lower thermal losses than a single stage device if it is to have a higher efficiency.

14 SOLAR ENERGY↗
DOE OSTI2012

Numerical and Experimental Investigations of Polyurethane Foam for Use as Cask Impact Limiter in Accidental Drop Scenarios - 12099

Rigid, closed-cell polyurethane foams are frequently used as cask impact limiters in nuclear materials and hazardous waste transport due to their high energy-absorption potential. When assessing the cask integrity in accidental scenarios based on numerical simulations, a description of the foam damping properties is required for different strain rates and for a wide temperature range with respect to waste heat generation in conjunction with critical operating and environmental conditions. Implementation and adaption of a respective finite element material model strongly relies on an appropriate experimental data base. Even though extensive impact experiments were conducted e.g. in Sandia National Laboratories, Savannah River National Laboratory and by Rolls Royce plc, not all relevant factors were taken into account. Hence, BAM who is in charge of the mechanical evaluation of such packages within the approval procedure in Germany, incorporated systematic test series into a comprehensive research project aimed to develop numerical methods for a couple of damping materials. In a first step, displacement driven compression tests have been performed on confined, cubic specimens at five loading rates ranging from 0.02 mm/s to 3 m/s at temperatures between +90 deg. C and -40 deg. C. Materials include two different polyurethane foam types called FR3718 and FR3730 having densities of 280 kg/m{sup 3} and 488 kg/m{sup 3} from the product line-up of General Plastics Manufacturing Company. Their data was used to adapt an advanced plasticity model allowing for reliably simulating cellular materials under multi-axial compression states. Therefore, an automated parameter identification procedure had been established by combining an artificial neural network with local optimization techniques. Currently, the selected numerical material input values are validated and optimized by means of more complex loading configurations with the prospect of establishing methods applicable to impact limiters under severe accidental conditions. The reference data base is provided by experiments, where weights between 212 kg and 1200 kg have been dropped from heights between 1.25 m and 7 m on confined 10 cm cubic foam specimens. By presenting the deviations between experimental values and the corresponding output of finite element simulations, the potentials and restrictions of the resulting models are highlighted. Systematic compression tests on polyurethane foams had been performed at BAM test site within the framework of a research project on impact limiters for handling casks for radioactive waste. The experimental results had been used to adapt numerical models for simulating the behaviour of different foam types at different temperatures. The loading speed, however, turned out to have a major influence on their flow curves that can not be captured by simple strain-rate dependent multipliers. Especially for guided drop tests that come close to real accidental scenarios there is a significant gap between experimental and numerical results even when applying such advanced material models. Hence, the extensive data base is currently deployed for expanding the standard algorithms to include adequate dynamic hardening factors. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Energy Arbitrage: Comparison of Options for use with LWR Nuclear Power Plants

Arbitrage is the opportunistic buying and selling of a commodity during local pricing valleys and peaks respectively to maximize economic value. This report evaluates options for energy arbitrage integrated with existing light water reactor (LWR) nuclear power plants (NPPs) where nuclear energy could be stored in a variety of forms and later recovered to generate electrical power during periods when grid electricity demand and pricing are high. The forms of energy storage examined in this report include the potential value of batteries, hydrogen, and thermal energy storage for coupling with nuclear power. Various large demand response options are also analyzed, including the production of liquid nitrogen via air separation and liquefaction, liquefaction of hydrogen, compressed hydrogen, and the cryogenic capture of CO2. Demand response refers to dispatchable loads that can cycle up or down depending on-grid electricity demand to aid in balancing the grid. Large demand response options could dispatch to aid nuclear power stations in avoiding power turndowns by providing an alternate disposition for electrical energy by producing marketable products (e.g., liquid nitrogen, hydrogen, or captured CO2). Static conditions were chosen and analyzed in this report for each option. Dynamic operation or optimization of energy arbitrage or demand response are out of scope for this report. The analysis is based on storage systems with discharge capacities of 500 MW for which various durations of storage and costs of charging (electricity cost) are examined. While the value of thermal energy to an industrial user for flexible plant operations has been previously proven as a business case, this report evaluates costs of hydrogen energy storage and leading thermal energy storage options, and large demand response loads that could be integrated with LWRs in comparison to utility-scale battery storage for use of off-peak nuclear energy. Compilation of this information will be used by the Idaho National Laboratory (INL) RAVEN/HERON systems integration and economics tool to evaluate thermal energy dispatch to industrial users. Relative ranking of energy storage options was done using a levelized cost of storage (LCOS) metric which calculates a rough breakeven cost for the system, taking into account the capital and operating costs as well as the revenue from arbitrage. Table ES1 below shows the LCOS for each of the energy storage options considered. First, in the table, lithium iron (Fe) phosphate batteries are listed as the base case for comparison against the other options. Next is hydrogen storage where most of the hydrogen analyses assumed the hydrogen to be produced using solid oxide electrolytic cell (SOEC) high temperature steam electrolysis (HTSE). The others used existing models of polymer electrolyte membrane (PEM) low temperature electrolysis to produce hydrogen. HTSE performance parameters and costs were taken from existing INL models. Various means were assumed to convert the hydrogen to electricity, including PEM fuel cells (FCs) and a gas turbine mixed in a 30 vol% mixture with natural gas. Physical storage (pressure vessels) and geological storage (natural underground features) were used to store the hydrogen as noted. Geological storage is more economical, but the locations are limited because of the requirement for pre-existing geological formations that will support storage. Thermal energy storage (TES) options were also analyzed including electro-thermal energy storage (ETES) and four different liquid sensible heat TES storage media as noted (Hitec, Hitec XL, Therminol-66, and Dowtherm A). The ETES process considered was modified using existing public documentation on an Echogen process and uses a separate supercritical CO2 charge and discharge cycle with sand as the heat storage media.

25 ENERGY STORAGE↗
DOE OSTI2014

Consideration of liners and covers in performance assessments

On-site disposal cells are in use and being considered at several United States Department of Energy (USDOE) sites as the final disposition for large amounts of waste associated with cleanup of contaminated areas and facilities. These disposal cells are typically regulated by States and/or the U.S. Environmental Protection Agency under the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) in addition to having to comply with requirements in DOE Order 435.1, Radioactive Waste Management due to the radioactive waste. The USDOE-Environmental Management Office of Site Restoration formed a working group to foster improved communication and sharing of information for personnel associated with these CERCLA disposal cells and work towards more consistent assumptions, as appropriate, for technical and policy considerations related to CERCLA risk assessments and DOE Order 435.1 performance assessments in support of a Record of Decision and Disposal Authorization Statement, respectively. One of the issues considered by the working group, which is addressed in this report, was how to appropriately consider the performance of covers and liners/leachate collections systems in the context of a DOE Order 435.1 performance assessment (PA). This same information may be appropriate for consideration within CERCLA risk assessments for these facilities. These OSDCs are generally developed to meet hazardous waste (HW) disposal design standards under the Resource Conservation and Recovery Act (RCRA) as well as the DOE Order 435.1 performance based standards for disposal of radioactive waste. To meet the standards for HW, the facilities typically include engineered covers and liner/leachate collection systems. Thus, when considering such facilities in the context of a DOE Order 435.1 PA, there is a need to address the evolution of performance of covers and liner/leachate collection systems in the context of meeting a performance standard considering time frames of 1,000 years for compliance and potentially thousands of years based on the wastes to test the robustness of the system. Experience has shown that there are a range of expectations and perspectives from the different regulators involved at different sites when reviewing assumptions related to cover and liner/leachate collection system performance. However for HW disposal alone under RCRA the design standards are typically considered sufficient by the regulators without a requirement to assess long-term performance thus avoiding the need to consider the details addressed in this report. This report provides suggestions for a general approach to address covers and liners/leachate collection systems in a DOE Order 435.1 PA and how to integrate assessments with defense-in-depth considerations such as design, operations, and waste acceptance criteria to address uncertainties. The emphasis is on water balances and management in such assessments. Specific information and references are provided for details needed to address the evolution of individual components of cover and liner/leachate collection systems. This information was then synthesized into suggestions for best practices for cover and liner system design and examples of approaches to address the performance of covers and liners as part of a performance assessment of the disposal system. Numerous references are provided for sources of information to help describe the basis for performance of individual components of cover and liner systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Facilitating Data Collection of Maintenance Events to Populate the Hydrogen Component Reliability Database (HyCReD)

The Hydrogen Component Reliability Database (HyCReD) is a collaborative project between the National Renewable Energy Laboratory, the University of Maryland, and hydrogen stakeholders to improve safety and reliability for hydrogen facilities by implementing component reliability data taxonomies that support hydrogen infrastructure failure rate analysis. The project aims to quantify failure rates of hydrogen components through high-quality data collection and analysis on root causes and maintenance needed. HyCReD provides a common database for cataloging hydrogen component failures which exists for reliability research in many other mature industries [2]. The database fills a gap for the hydrogen community by providing a scientifically rigorous approach to quantitative risk assessment (QRA), prognostic health management (PHM), and reliability-centered maintenance (RCM) analysis. High level results will be aggregated and anonymized to protect company sensitive information; detailed results will be used to help address issues of hydrogen components. These advanced analytics will support accelerated deployment of hydrogen infrastructure by enabling better: design and safety of projects (safety codes and standards development), infrastructure reliability and cost (component failure rates, maintenance protocols), and component R&D needs (robust supply chain). A key to a successful HyCReD implementation is facilitating the ease of reporting and data quality in the database that can be used for analysis. Maintenance data was a previously identified gap in initial efforts to populate and validate the database taxonomies [3]. Collection of maintenance data will be instrumental in identifying failure modes and rates, identifying incipient component failures or reduced performance, cataloging best practices for maintenance routines and methods for prognostic health management, and quantifying the risk and effect of different failure modes. Several key priorities are identified for streamlined data collection to achieve quality and detailed failure data: Applicability, Ease of Use, Accessibility, and Information Security. The HyCReD team has now begun deployment of the database to several companies and groups that have signed non-disclosure agreements to facilitate the data collection of failures in industry hydrogen refueling station infrastructure. This paper will provide an update into the process of HyCReD deployment including the development of a coding guide for facility personnel to reference and ensure data quality and consistency from one station to another as well as implementation of contextually dependent data fields of system taxonomy and formatted entries to provide ease of use. The goal is to communicate the lessons learned from the roll-out to technicians and engineers in the field, and the addition of need for high level of security to protect all stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Comprehensive framework for assessing and optimizing existing research networks

Conservation, monitoring, and research networks, or collections of ecological research sites unified under a common mission of data collection or a research mission, are essential infrastructure for understanding large landscapes. However, most networks developed opportunistically over decades rather than through systematic design, creating potential limitations in the ability to address conservation challenges across entire regions. We developed a framework to evaluate how well an existing research network represents the environmental conditions its members study and devised an approach to rank sites of priority for strategic expansion. Our approach measures performance through environmental representativeness, geographic coverage, and adequacy for scientific inference and thus optimizes limited monitoring resources to maximize scientific impact. We demonstrated this approach with the U.S. Department of Agriculture (USDA) Forest Service Experimental Forests and Ranges Network (EFRN), a 79‐site network across the United States that grew opportunistically over a century. At the national scale, the network effectively captured high‐biomass forests important for carbon cycle research; 82% of forest biomass was in well‐represented areas. Some areas in Texas, Florida, the Rocky Mountains, and the West Coast had no relevant EFRN sites, which limits the ability to make regional inferences. A fundamental challenge for the EFRN was that sites improving regional extent coverage sometimes provided minimal national benefits, which can create conflicts between local and global priorities. Adding the highest‐ranked candidate site provided a relevant site for 17% of currently poorly represented 1‐km pixel cells nationally, but regional and national site rankings varied considerably due to nested spatial inference. This framework provides quantitative tools for strategic infrastructure decision‐making, ensures that limited monitoring resources maximize conservation impact, and can be applied broadly to address the widespread challenge of optimizing conservation and monitoring networks worldwide.

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