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At least 1,693 records · Page 94

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DOE OSTI2025

Radioisotope production at the advanced test reactor: process and lessons learned

The mission of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) focuses on creating irradiation facilities for nuclear materials and fuels research. While radioisotope production is not a core part of the ATR mission, it is important for providing a U.S. domestic source of critical radioisotopes such as cobalt-60 (Co-60). Here, this paper gives an overview for radioisotopes currently being produced in ATR as well as other potential radioisotopes that can be produced in ATR. It also provides guidance on radioisotope production that can be applied to other test reactors.

ATR↗

DOE OSTI2020

Optimal electric-distribution-grid planning considering the demand-side flexibility of thermal building systems for a test case in Singapore

The planning of district-scale electric grids, i.e., distribution grids, has traditionally relied on finding the most cost-effective design such that they are able to supply the peak loads in a district. With the advent of electric demand side flexibility (DSF), there is the opportunity to reshape peak loads such that the investment cost of the electric grid decreases in exchange for a minor increase in the operation cost. This paper formulates an optimal planning approach for the electric grid at the district scale, which incorporates the DSF from thermal building systems, e.g., heating ventilation and air-conditioning (HVAC) systems. The problem is formulated as a mixed-integer linear program (MILP) and aims at minimizing the investment cost for the grid along with the operation cost of the flexible loads. This is subjected to the fixed electricity demand and thermal comfort constraints of building occupants. To this end, linear models for the thermal comfort in the buildings and the power flow in electric grid are considered. The approach is tested on a district planning test case based in Singapore, where the results show up to 30.9 % reductions in investment cost and up to 3.7 % reduction in total annualized cost. Urban planning authorities, developers and utility companies can all benefit from the presented approach to make optimized investment decisions. For building operators, the results point to the need of adopting their control systems for DSF.

Troitzsch, Sebastian↗

DOE OSTI2023

The wave energy converter control competition (WECCCOMP): Wave energy control algorithms compared in both simulation and tank testing

The wave energy control competition established a benchmark problem which was offered as an open challenge to the wave energy system control community. The competition had two stages: In the first stage, competitors used a standard wave energy simulation platform (WEC-Sim) to evaluate their controllers while, in the second stage, competitors were invited to test their controllers in a real-time implementation on a prototype system in a wave tank. The performance function used was based on converted energy across a range of standard sea states, but also included aspects related to economic performance, such as peak/average power, peak force, etc. This paper compares simulated and experimental results and, in particular, examines if the results obtained in a linear system simulation are borne out in reality. Overall, within the scope of the device tested, the range of sea states employed, and the performance metric used, the conclusion is that high-performance WEC controllers work well in practice, with good carry-over from simulation to experimentation. However, the availability of a good WEC mathematical model is deemed to be crucial.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Towards replacement of animal tests with in vitro assays: a gene expression biomarker predicts in vitro and in vivo estrogen receptor activity

High-throughput transcriptomics (HTTr) has the potential to support efforts to reduce or replace some animal tests. In past studies, we described a computational approach utilizing a gene expression biomarker consisting of 46 genes to predict estrogen receptor (ER) activity after chemical exposure in ER-positive human breast cancer cells including the MCF-7 cell line. We hypothesized that the biomarker model could identify ER activities of chemicals examined by Endocrine Disruptor Screening Program (EDSP) Tier 1 screening assays in which transcript profiles of the same chemicals were examined in MCF-7 cells. For the 62 chemicals examined including 5 chemicals examined in this study using RNA-Seq, the ER biomarker model accuracy was 1) 97% for in vitro reference chemicals, 2) 76–85% for guideline uterotrophic assays, and 3) 87–88% for guideline and nonguideline uterotrophic assays. For the same chemicals, these accuracies were similar or slightly better than those of the ToxCast ER model based on 18 in vitro assays. The performance of the ER biomarker model indicates that HTTr interpreted using the ER biomarker correctly identifies active and inactive ER reference chemicals. Finally, as part of the HTTr screening program the approach could rapidly identify chemicals with potential ER bioactivities for additional screening and testing.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Interlaboratory Study: Testing Reproducibility of Solid Biofuels Component Identification Using Reflected Light Microscopy

Considering global market trends and concerns about climate change and sustainability, increased biomass use for energy is expected to continue. As more diverse materials are being utilized to manufacture solid biomass fuels, it is critical to implement quality assessment methods to analyze these fuels thoroughly. One such method is reflected light microscopy (RLM), which has the potential to complement and enhance current standard testing, leading to improving fuel quality assessment and, ultimately, preventing avoidable air pollution. An interlaboratory study (ILS) was conducted to test the reproducibility of biomass fuels component identification using a reflected light microscopy technique. The exercise was conducted on thirty photomicrographs showing biomass and various undesired components (like plastics or mineral matter), which were purposely added (by the ILS organizers) to contaminate wood pellets and charcoal-based grilling fuels. Forty-six participants had various levels of difficulty identifying the marked components, and as a result, the percentage of correct answers ranged from 52.2 to 94.4%. Among the most difficult components to distinguish were petroleum products and inorganic matter. Various reasons led to the misidentification, including insufficient morphological descriptions of the components provided to participants, ambiguities of the nomenclature, limitations of the analytical and exercise method, and insufficient experience of the participants. Overall, the results indicate that RLM has the potential to enhance the quality assessment of biomass fuels. However, they also demonstrate that the petrographic classification used in this exercise requires further refinement before it can be standardized. While a new simplified classification of solid biomass fuels components was created as an outcome of this study, future research is necessary to refine the nomenclature, develop a microscopic morphological description of the components, and verify the accuracy of component identification with a follow-up ILS.

biomass↗

DOE OSTI2020

Reflected shock-initiated ignition probed via simultaneous lateral and endwall high-speed imaging with a transparent, cylindrical test-section

A TRAnsparent cylindrical (TRAC) shock tube test section has been developed to explore the ignition structure behind reflected shockwaves via simultaneous lateral and endwall high-speed imaging using three fuel/oxidizer mixtures: 0.1% n-C 7 H 16 /1.10% O 2 /4.14% N 2 /94.66% Ar, 0.1% iC 8 H 18 /1.25% O 2 /4.69% N 2 /93.96% Ar, and 5% CH 4 /10% O 2 /85% CO 2 . During mild ignition, the first exothermic centers were located outside of the observable test section. It is shown that with increasing temperature the far-wall ignition events move closer to the endwall, until a strong ignition is achieved. The temperature gradients that promote mild ignition were quantified and were found to have a slight dependence on fuel with the RMS temperature gradients being 0.80% for n-heptane and 1.07% for isooctane. The impact of temperature gradients on metrics used to improve kinetic models, such as species time histories, is noteworthy. From this temperature gradient, an experimental correlation is provided to estimate the transition temperature from mild to strong ignition for a mixture. The effect of diagnostic location in non-homogeneous reactions is quantified in reference to ignition delay. In conclusion, the unique and insightful perspective on the ignition process under heavy shock bifurcation is also discussed.

02 PETROLEUM↗

DOE OSTI2024

Testing and modeling of CLT-to-CLT joints made using hardwood dowels and screws with varying spacing

With the increasing popularity of mass timber, utilizing large-diameter wood screws and hardwood dowels can offer an easy and cost-efficient way to join structural elements. However, the existing research on hardwood dowels is limited to single fastener joints under monotonic loading. No research is available on the group effects of joints with multiple hardwood dowels. Here, this paper presents the results of 96 monotonic and cyclic single-shear plane CLT-to-CLT joint tests with hardwood dowels (Red Oak and Yellow Birch, 25.4 mm diameter) and self-tapping wood screws (8 mm diameter) in Grand-Fir CLT, where screws were inserted both perpendicular and at a 45-degree angle to the grain for comparison to hardwood dowels. The study evaluated the mechanical properties of the joints by changing fastener spacing. Mechanical properties such as yielding and peak strength, displacement, elastic and yielding stiffness, and ductility were evaluated. The results showed equal strength and stiffness properties for hardwood dowels comparable with large-diameter screws. Additionally, the hardwood dowel joints demonstrated moderate ductility properties. The strength and stiffness of the tested joints were compared with analytical equations found in the literature by considering the group action factor of the fasteners. Lastly, a nonlinear force-displacement model was presented and compared to the experimental results and analytical calculations, which gives the possibility to predict and optimize the mechanical behavior of hardwood dowel and screw joints with varying numbers and spacing between fasteners.

36 MATERIALS SCIENCE↗

DOE OSTI2026

An Accelerated Testing and Analysis Framework for Qualification of Battery Materials

The continuously growing demand for batteries used within automotive, aviation, and grid applications has exacerbated the need to supplement critical battery material feedstocks, such as those for anode and cathode active materials. New or supplementary material sources, however, universally comprise unique material properties that can significantly affect the lifetime and performance of resultant batteries. As such, the influence of composition, microstructure, and morphology on electrochemical performance should be characterized quickly and accurately to accelerate commercialization of new material sources. This work introduces a tiered framework to quickly assess new material viability and understand the influence of physicochemical properties on battery performance. The Tier 1 testing described here is rapid and lower-effort to quickly recognize materials with fundamental flaws and potentially disqualify them. Later testing would require more time and effort but provide higher fidelity information with a goal of validating materials for specific applications. A case study examining various commercial sources of LiFePO4 (LFP) is presented, using Tier 1 of the protocol to identify rapid electrochemical and physicochemical signals that correlate with performance and to provide early go/no-go decisions on LFP materials without the need for long-term cycling data.

25 - ENERGY STORAGE↗

DOE OSTI2026

Accelerating Laboratory-Based, All-Solid-State Battery Research and Development: Industrially Relevant Small-Batch Dry-Processing, Small and Low-Cost Test Fixtures, and Short-Tolerant Separators

This work presents improvements to mixing (for dry-processed electrodes), separator robustness, and cell testing jigs for all-solid-state batteries (ASSBs). These developments combine synergistically to enable rapid research and development of ASSB catholytes. A mechanical "kneader" is designed and built which emulates the mixing and fibrillation of poly-tetrafluoroethylene binder that occurs in industrially relevant twin-screw extruders. A modest improvement in the mixing and dispersion catholyte materials is observed using micro-resolution X-ray computed tomography (X-ray CT). Catholytes are paired with an In-metal anode and separated by a novel, dual-layer, polyaramid-fiber-supported, sulfide-solid electrolyte (Li6 PS5 Cl) separator. This separator achieves high short tolerance which enabled a 95% success rate across 20 attempted cells and to date over 100 successful cells have been built. ASSBs were tested in a 2032 coin-cell format. Simultaneous cycling of a large number of cells is further enabled by a compact and low cost (~ 38 USD per jig) pressure application jig of which 100 have been constructed to date. The utility of these advances is demonstrated through a brief study on the effect cathode-side conductive carbon and current collector type has on capacity and rate performance.

25 ENERGY STORAGE↗

DOE OSTI2023

National forest timber bids and export price interlinkages in the USA: The bounds testing approach

We examine the interrelationships of national forest timber bid and log export prices for Douglas-fir (Region 6) in 2003–2021 and loblolly pine (Region 8) using time-series stationarity and bounds-testing approaches. The analysis shows the difference in time series properties across different geographies and time scales. Bid prices for these dominant species of timber in each of two Forest Service regions are found to be stationary, while log export prices for those same species appear to be non-stationary. Bounds testing conducted with autoregressive distributed lag modeling methods provides strong evidence for a cointegrating relationship between timber bid prices and log export prices in Forest Service Region 6. In Region 8, evidence for a cointegrating relationship was weak. Here, the share of salvage wood in national forest timber sales is a statistically significant control variable in all models estimated.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Production, fuel properties and combustion testing of an iso-olefins blendstock for modern vehicles

With the increasing pressure to decarbonize the transportation sector, exploring strategies that can reduce emissions from light-duty vehicles (LDV) has become critical. Bioblendstocks that allow for higher engine efficiency and fuel economy could complement vehicle electrification and help reach carbon neutrality by 2050. In this context, the potential of a mixture of iso-olefins as a bioblendstock was investigated for multimode boosted spark-ignition (SI)/advanced compression ignition (ACI) engine operation designed to achieve higher overall vehicle fuel economy. By establishing the relationship between the molecular structure of iso-olefins and research octane number (RON), octane sensitivity (S) (i.e., the difference between RON and motor octane number [MON]), and phi-sensitivity a dimethyl-hexenes rich olefins mixture (DMHROM) was identified as a preferred blendstock for SI/ACI combustion engines. Here, a pathway for DMHROM production from biomass-derived ethanol was developed and scaled up. More than 1 gallon of DMHROM blendstock was produced for fuel properties assessment including engine testing. Measurements in a Cooperative Fuel Research Engine showed that the DMHROM blendstock possesses a RON of 94 and S of 13.5, and blends synergistically. Rapid compression machine tests coupled with single-cylinder gasoline direct injection engine measurements demonstrated the 20 vol.% DMHROM blend has higher phi-sensitivity than an olefin-free gasoline base fuel and a typical California Reformulated Gasoline Blendstock for Oxygenate Blending (CARBOB) gasoline fuel. These results demonstrate the potential of DMHROM for improving gasoline fuel performance and quality for operation under ACI conditions. The effectiveness of the aftertreatment system in mitigating emissions was verified and showed that the pure DMHROM blendstock and 20 vol.% blend would not increase non-methane organic gases, NO x , and carbon monoxide (CO) emissions. The DMHROM blendstock was found to slightly decrease sooting tendency when added to a gasoline-base fuel (i.e., ~6% reduction at 20 vol.% blending level). Oxidation stability and lubricant compatibility were both confirmed for the 20 vol.% blend. Overall, these results demonstrate that dimethyl-hexenes have potential for improving engine efficiency and fuel economy while meeting emissions regulations and ASTM specifications for gasoline fuel.

09 BIOMASS FUELS↗

DOE OSTI2023

Proxy-based Bayesian inversion of strain tensor data measured during well tests

Recent instrument developments have made it possible to measure the strain tensor caused by injecting or pumping fluid from aquifers or reservoirs, but the full value of these data is limited because the long runtimes of poroelastic forward models makes it impractical to use many inversion schemes. This limits the interpretation of strain data for managing the recovery of resources or storage of wastes in the subsurface. This paper describes a method of inverting deformation data using a poroelastic numerical simulator so the results can be used to manage reservoirs or aquifers. We developed a workflow designed to reduce the number of simulations sufficiently to make it feasible to use DREAMzs, an advanced Bayesian inversion method that translates the uncertainties from different sources into unbiased posterior parameter distributions and uncertainty envelopes around the field data. Using a KNN proxy model for the poroelastic simulator is key to reducing the overall computations, and the workflow includes a strategy for ensuring the proxy model results converge on the results from the simulator. The workflow is tested using an idealized example that verifies the ability to correctly identify parameters and characterize noise used to perturb the data. Field data from an injection test at an oil reservoir near Tulsa, Oklahoma, are also used to evaluate the efficacy of the workflow with a real dataset. The workflow identified 265 history matching solutions out of 1240 total simulation runs (21% acceptance ratio), where the results were used to characterize posterior parameter distribution and evaluate the prediction uncertainty. Furthermore, this workflow is significant because it enables strain tensor, or other geomechanical measurements to be interpreted to guide decision-making during energy and environmental processes in the subsurface.

42 ENGINEERING↗

DOE OSTI2024

Synthesis of results for Brine Availability Test in Salt (BATS) DECOVALEX-2023 Task E

In the 2023 phase of the international collaborative DECOVALEX modeling project, Task E focused on understanding thermal, hydrological, and mechanical (THM) processes related to predicting brine migration in the excavation damaged zone around a heated excavation in salt. Salt is attractive as a disposal medium for radioactive waste because it is self-healing and is essentially impermeable and non-porous in the far field. Investigation of the short-term, near-field behavior is important for radioactive waste disposal because this early period strongly controls the amount of inflowing brine. Brine leads to corrosion of waste forms and waste packages, and possible dissolution of radionuclides with brine transport being a potential transport vector to the accessible environment.The Task was divided into steps. Step 0 included matching unheated brine inflow data from boreholes at the Waste Isolation Pilot Plant (WIPP) and matching temperature observations during a Brine Availability Test in Salt (BATS) heater test. Step 1 included validation of models against a thermo-poroelastic analytical solution, and two-phase flow around an excavation. Finally, Step 2 required all the individual components covered in steps 0 and 1 to come together to match observed brine inflow behavior during the same BATS heater test.There were a range of approaches from the teams, from mechanistic to prescriptive. Given the uncertainties in the problem, some teams used one- or two-dimensional models of the processes, while other teams included more geometrical complexity in three-dimensional models. Task E was a learning experience for the teams involved, and feedback from the modeling teams has led to changes in follow-on BATS experiments at WIPP. The primary Task E lessons learned were the impact of hydrologic initialization methods (wetting up vs. drying down), the difference between confined and unconfined thermal expansion, and the large changes in permeability associated with heating and cooling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

A machine-learning-aided data recovery approach for predicting multi-material thermal behaviors in advanced test reactor capsules

Instrumented experiments conducted at test reactors are essential to the deployment of new advanced reactor systems. Designing new experiments and generating data on specific reactor conditions require significant investments in terms of both time and cost. Finite element analysis software can be used to create high-fidelity models of experiment environments in order to support the actual experiments, but computation time remains a concern in terms of applying outcomes to real-time usage of data (e.g., a digital twin [DT]). Here, the present research proposes a machine-learning (ML) aided approach to making temperature and displacement predictions based on the thickness of the outer gas gap on the experimental capsule used for in-pile demonstration of a novel new thermal conductivity probe in the Advanced Test Reactor (ATR). This capsule consisted of U10Zr fuel, a rodlet, sodium, and inner and outer capsules. Gas gaps existed between the fuel and the rodlet, and between the inner and the outer capsule. The learning data pertained to an experimental capsule's radial distributions of temperature and displacement, as obtained based on Abaqus and the physical features. For the first step of ML sequence, the temperature was predicted using three positional parameters. Next, the displacement was predicted using seven additional parameters. Each physical feature was normalized in order to be both nondimensional and standardized. The temperature and displacement predictions showed good agreement with the simulation results in all cases involving interpolation and extrapolation. Furthermore, data similarity enhancement increased the similarity between the training and the target data, thereby increasing the predictive accuracy of the ML models. In certain extrapolation cases involving limited original ML model accuracy, data similarity enhancement and data recovery was able to somewhat improve this accuracy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Automotive fuel cell stack and system efficiency and fuel consumption based on vehicle testing on a chassis dynamometer at minus 18 °C to positive 35 °C temperatures

In this work we present an in-depth laboratory technology assessment of a 2016 Toyota Mirai Fuel Cell (FC) vehicle based on chassis dynamometer testing. The 114.6 kW FC stack has a high dynamic response, which makes this powertrain a FC-dominant hybrid electric vehicle. The measured peak efficiency is 66.0% FC stack and 63.7% FC system with an idle hydrogen flow rate of 4.39 g/hr. The high FC system efficiencies at low loads match typical vehicle power spectrums, resulting in a high average vehicle efficiency of 62% compared to 45% and 23% for a hybrid electric vehicle and a conventional vehicle, respectively. An energy breakdown accounts for the FC stack losses, FC system losses, air compressor loads, and heater loads for different drive cycles and different thermal conditions. The cold-start North American city drive cycle (UDDS) energy consumption values are, respectively, 758, 581, 226, and 321 Wh/km at ambient conditions of -18 degrees C, -7 degrees C, -25 degrees C and 35 degrees C with 850 W/m 2 of solar loading. The FC system shutdown and startup processes at temperatures below the freezing point contribute to the increased hydrogen consumption. Additionally, the raw test data files are available for download, thus providing the research community with a public reference data on a modern production automotive FC system.

08 HYDROGEN↗

DOE OSTI2023

Investigation of methane and ethane pyrolysis with highly active and durable iron-alumina catalyst to produce hydrogen and valuable nano carbons: Continuous fluidized bed tests and reaction rate analysis

The goal of this research work was to evaluate a novel iron-alumina catalyst for methane and ethane pyrolysis with high conversion rates to H 2 with a long life time to address two major issues reported with previous catalysts. Fluidized bed tests demonstrated continuous hydrogen production while collecting carbon containing fines. During the 230 h fluid bed test the methane conversion rate to hydrogen at 700 °C remained above 80% for 160 h while creating valuable nano carbons. Similarly high catalyst lifetimes with high methane conversions have not been reported before. Ethane was more active than methane for pyrolysis with 100% conversion to H 2 . Transmission electron microscopy and Raman analysis of the carbon showed single and multiwall nanotubes and conglomerate nano-fibers. Ethane did not impact the allotrope of carbon formed. TGA was used to create a data array that was used for kinetic analysis and reaction model parametric regressions. Ethane had a higher rate of pyrolysis that was 2.3–2.8 times that of methane. Ethane pyrolysis was found to be more sensitive to temperature with a higher activation energy of 62 kJ/mol as compared to methane at 43 kJ/mol. The frequency factor, A i , was significantly higher for ethane at 0.73 [[kmol/m 3 -sec]/[N/m2] n ] compared to 0.03 for methane on the same basis. Both gases had a functional partial pressure order dependence of ~0.6 based on the regression analysis.

08 HYDROGEN↗

DOE OSTI2020

Experimental verification of a crystal plasticity-based simulation framework for predicting microstructure and geometric shape changes: Application to bending and Taylor impact testing of Zr

This paper is concerned with experimental verification of a recently developed multi-scale simulation framework for plastic deformation of metallic materials from quasi-static to impact deformation conditions. The framework is a visco-plastic self-consistent (VPSC) polycrystalline model embedded in an implicit finite element method (FE-VPSC) to provide a microstructure-sensitive constitutive response at each material point. Each material point of the FEM model is a polycrystalline aggregate with crystallographic deformation mechanisms operating at the single crystal scale with their evolving activity based on a dislocation density-based hardening law and texture. Four beams and three cylinders machined in different orientations from a textured plate of high-purity zirconium are tested quasi-statically in 4-point bending and at speeds of 100 m/s, 170 m/s and 243 m/s during Taylor impact tests, respectively. The variation in dimensional changes resulting from different sample orientations in the plate with respect to loading directions is measured for each sample. Moreover, texture and twinning characterization is performed using electron backscattered diffraction (EBSD). The deformation processes and underlying evolution of microstructure are successfully simulated using the FE-VPSC framework. In doing so, the model parameters are optimized and validated across a broad range of strain rates and temperatures. Simulation results in terms of geometrical changes and microstructural evolution are compared with the experimental measurements. The model predicts anisotropic material flow resulting from the hard-to-deform crystallographic directions, the development of gradients in texture and twinning through the geometries, tension–compression asymmetry, as well as the extent of plasticity under impact.

42 ENGINEERING↗

DOE OSTI2026

Application of trichloroacetimidate-mediated benzylation to the detection of pinacolyl methylphosphonic acid in standardised proficiency test matrices

Here, a procedure for the qualitative analysis of pinacolyl methylphosphonic acid (PMPA), a degradation product from the nerve agent Soman (GD), is presented. The protocol involves the derivatization of PMPA with benzyl trichloroacetimidate resulting in its benzylation under neutral conditions, a desirable attribute in the presence of other base-sensitive analytes. The method was found to perform well in the detection of this Schedule 2 chemical, spiked at low concentrations, in three different test matrices, two soils and one liquid, featured in different Organisation for the Prohibition of Chemical Weapons (OPCW) proficiency tests.

Chemistry↗