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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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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling of fission gas diffusion and release for Gd 2 O 3 doped UO 2

Uranium dioxide (UO 2 ) is the primary nuclear fuel in light water reactors, and its excess neutronic reactivity can be controlled by adding burnable absorbers, such as Gd 2 O 3 . This burnable absorber has a large neutron absorption cross-section, lowering the high reactivity of the reactor's initial fuel load. However, there needs to be more understanding of how added Gd 2 O 3 influences the properties of UO 2 under irradiation. To understand the behavior of defects and fission gas in the UO 2 /Gd 2 O 3 system under irradiation, we use cluster dynamics modeling supported by density functional theory calculations. First, we calculate the formation energies of Gd point and cluster defects, and evaluate the temperature-dependent defect concentrations using the defect formation energies and entropies. We show that Gd is soluble in UO 2 , introducing a negative charge in the system. Using this information, we adapted the cluster dynamics code Centipede to model the influence of Gd on U self-diffusion and Xe diffusion in UO 2 with 10 wt% Gd 2 O 3 . Also, we analyzed the Xe diffusion as a function of Gd 2 O 3 concentration, showing that the Xe diffusivity is decreased, which means that the athermal diffusivity due to electronic stopping persists at higher temperatures. In conclusion, the decrease in Xe diffusion means that more Xe stays in the matrix, decreasing the Xe release, and lowering its influence of fission gas release on the thermomechanical properties of UO 2 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Microstructural evolution in doped high entropy alloys NiCoFeCr-3X (X=Pd/Al/Cu) under irradiation

Commonly studied equatomic single-phase FCC high entropy alloys based on 3d transition metals like NiCoFeCr do not provide adequate strength and radiation resistance at high doses for nuclear structural applications. In the current study, the major alloying effects like lattice distortion, ordering and clustering tendencies were investigated by adding low concentration of Pd, Al, or Cu respectively to study the doping effects on the ion irradiation response of NiCoFeCr alloy. The alloys were irradiated with 3 MeV Ni 2+ ions at 500 °C to a fluence of 1 × 10 17 /cm 2 at a beam flux of approximately 2.8 × 10 12 ions/cm 2 /s. The microstructural evolution upon irradiation i.e., formation of dislocation networks, radiation induced segregation and precipitation, and void formation were studied in detail. Further, post-irradiation characterization results showed that a Pd addition leads to a high void nucleation rate but controlled void growth, which may be attributed to increased lattice distortion. In Al added HEA, our microstructural analysis indicates that radiation induced ordered L1 2 precipitates do not affect void swelling significantly. Cu addition led to Cu precipitation that drastically suppressed dislocation density and void swelling of the alloy. Additionally, a model was developed to qualitatively describe the trend in void swelling of typical FCC alloys under ion irradiation. This model was able to qualitatively explain the suppression and reappearance of void swelling in ion irradiated alloys that generally occurs near the region with peak implanted ion concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Elastic behavior of binary and ternary refractory multi-principal-element alloys

Elastic properties are essential to the mechanical performance of materials, and therefore, can be tuned to design high-performance materials. In this study, the elastic constants of the equiatomic ternary refractory multi-principal-element alloys, NbTiV, and MoNbV, were investigated, using in-situ neutron diffraction and first-principles calculations. The experimentally measured and theoretically predicted elastic constants show a good agreement. The alloying effect of adding Ti and Mo into NbV base alloy on the elastic constants is studied. Particularly, adding Ti elements into the NbV alloy results in the increase of the Zener anisotropy ratio from 0.59 to 0.99, leading to the formation of the elastically isotropic NbTiV alloy, while the addition of Mo decreases the anisotropy ratio to 0.52. Pugh’s ratio (B/G), Cauchy pressure (C 12 -C 44 ), and Poisson’s ratio (ν) are used to predict the brittle/ductile nature of the studied alloys, which is consistent with the mechanical results. The present work provides valuable insights into the design of ductile and strong refractory high-entropy alloys by tuning the elastic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A high-strength precipitation hardened cobalt-free high-entropy alloy

Recent studies on precipitation-hardened high-entropy alloys (HEAs) demonstrate their high strength and thermal stability, making them promising materials for high-temperature structural applications such as nuclear reactors. However, many existing HEAs contain cobalt (Co), which is unsuitable for nuclear applications because of the long-term activation issue of Co. Co is also expensive and considered a critical material for other applications. Therefore, it is desired to exclude Co from the composition. A Co-free (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 88 Ti 4 Al 8 HEA was developed and studied in this work. In contrast to previous Co-free HEAs, this alloy is close to equiatomic in its composition and promises a more pronounced high-entropy effect. Scanning electron microscopy, transmission electron microscopy, atom probe tomography, and synchrotron-based, high-energy X-ray diffraction were used to characterize this alloy and revealed a complex four-phase structure, with an FCC matrix, γ’ precipitates, and a network of B2 and χ phase particles. This structure granted 2151 MPa compressive strength and good thermal stability, but with limited ductility and slow precipitation kinetics. A strengthening analysis of the alloy shows that the B2 and χ provided the most significant strengthening contribution, adding 312 MPa and 788 MPa respectively. Furthermore the strengthening effect from the nanoscale γ' is also considerable, adding 608 MPa in total. This study lays the foundation for the continued development of high-strength Co-free HEAs with improved and satisfactory ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electronic structure and oxophilicity optimization of mono-layer Pt for efficient electrocatalysis

The slow kinetics of the anodic hydrogen oxidation reaction (HOR) in alkaline medium is one of the limitations for anion exchange membrane fuel cells (AEMFCs). Hence, accurately regulate and understand catalytic interface structure are essential to solve this bottleneck and reveal the structure-activity relationship. In this work, a novel trimetal core-shell model with mono-layer Pt-shell is employed for hydrogen electrooxidation to avoid thermodynamic driven bulk/surface composition deviation. On account of the atomic radius discrepancies of 3d-transition metals M (M = Fe, Co and Cu), the electronic structure of mono-layer Pt is regulated by the strain-engineered Pd-M core and the electrocatalytic activity for HOR is tuned accordingly. Nevertheless, step-by-step electrochemical monitoring and surface-treatment experiments indicate that the oxophilicity optimization by low-valence M(OH) x species, rather than the hydrogen binding energy (HBE) optimization caused by strain engineering, influence the activity obviously. It is mainly derived from the enhanced adsorption of OH ad and accelerated desorption of the H ad . The trimetal core-shell model breathes new life into the low-Pt catalyst design for hydrogen electrooxidation reaction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Contributions of major tau kinase activation and phospho-tau accumulation to cortical and hippocampal tangle formation and cognition in older adults

Aberrant activation of tau kinases (tauK) has been proposed as a major step in tau hyperphosphorylation and misfolding, and subsequent formation of neurofibrillary tangles (NFT) in Alzheimer's disease (AD). However, evidence of tauK hyperactivation in actual AD brains is scarce and inconsistent, and their role in age-related cognitive decline remains undocumented. We evaluated activated/inhibited species of CDK5/p35/p25, GSK3a/ß, and ERK1/2 as well as ten tau/phospho-tau (ptau) peptides (mapping Ser 202 , Thr 217 , Ser 262 , Ser 305 , and Ser 404 phospho-residues) by Western blot or selected reaction monitoring proteomics, respectively, in postmortem dorsolateral prefrontal cortex (DLPFC) and hippocampal samples of 150 participants from the Rush Memory and Aging Project (MAP). Regression models and mediation analyses assessed the contributions of these variables to tau phosphorylation, NFT deposition and antemortem cognitive status of MAP participants. Surprisingly, greater p25 and p35 (indices for CDK5 activation) and lower pSer 21/9 -GSK3a/ß (inhibited species) immunodensities were associated with lower ptau peptide amounts. Individuals with higher p25 cortical densities displayed better cognitive outcomes, particularly working memory. Statistical mediation analyses indicated that the beneficial effect of CDK5/p25 on cognition was mediated by lower densities of phospho-Thr 217 -tau and NFT deposition in DLPFC, and also identified Thr 217 and Ser 262 as the ptau sites with greatest influence in both NFT accumulation and cognitive impairment. The present data suggest that tau hyperphosphorylation, tangle deposition, and the subsequent cognitive impairment do not rely on aberrant activation of major tauKs. Additionally, novel evidence was provided for the beneficial contribution of cortical CDK5/p25 to the maintenance of working memory.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Locus coeruleus catecholamines link neuroticism and vulnerability to tau pathology in aging

Higher neuroticism is a risk factor for Alzheimer's disease (AD), and is implicated in disordered stress responses. The locus coeruleus (LC)-catecholamine system is activated during perceived threat and is a centerpiece of developing models of the pathophysiology of AD, as it is the first brain region to develop abnormal tau. We examined relationships among the "Big 5" personality traits, LC catecholamine synthesis capacity measured with [ 18 F]Fluoro-m-tyrosine PET, and tau burden measured with [ 18 F]Flortaucipir PET in cognitively normal older adults (n = 47). β-amyloid (Aβ) status was determined using [ 11 C]Pittsburgh compound B PET (n = 14 Aβ positive). Lower LC catecholamine synthesis capacity was associated with higher neuroticism, more depressive symptoms as measured by the Geriatric Depression Scale, and higher amygdala tau-PET binding. Exploratory analyses with other personality traits revealed that low trait conscientiousness was also related to both lower LC catecholamine synthesis capacity, and more depressive symptoms. A significant indirect path linked both high neuroticism and low conscientiousness to greater amygdala tau burden via their mutual association with low LC catecholamine synthesis capacity. Together, these findings reveal LC catecholamine synthesis capacity to be a promising marker of affective health and pathology burden in aging, and identifies candidate neurobiological mechanisms for the effect of personality on increased vulnerability to dementia.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Bandgap engineering of Cd 1 - x Zn x Te 1 - y Se y ( 0 < x < 0 . 27 , 0 < y < 0 . 026 )

CdZnTe (CZT) detectors with more than 10% zinc content did not show a remarkable improvement in the detector performance due to the additional defects introduced by the higher zinc content. However, recent research showed that the formation of defects was suppressed effectively by adding a small amount of selenium (2%) in CZT. On this basis, we attempted to enhance the detector performance through bandgap engineering by increasing the zinc content up to 25 %, while adding 2 % of selenium. Multiple CdZnTeSe (CZTS) ingots with Zn = 10, 12.5, 15, 20 and 25%, while fixing the Se composition at 2%, were grown by the Bridgman method. The bandgap of CZTS for the different Zn and Se contents was analyzed and then equations for predicting the bandgap for other alloy compositions were introduced. Furthermore, the crystallinity of CZTS was evaluated by photoluminescence measurements. The pulse height spectra for Am-241 and Co-57 sources were used to evaluate the detector performance for the CZTS samples.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Momentum in single-trace $T$$\overline{T}$ holography

We continue our exploration of the holographic duality between string theory in backgrounds that interpolate between asymptotically linear dilaton spacetime in the UV and AdS 3 in the IR, and the corresponding boundary theories. In previous papers, [1], [2], we showed that states in the bulk theory that are described by non-trivial asymptotically linear dilaton geometries, such as black holes and deformed global AdS 3 , can be described in the boundary theory by a single-trace $T$$\overline{T}$ deformation of a symmetric product theory. In those papers, we restricted to states with vanishing (angular) momentum; in this paper, we extend the analysis to states with arbitrary momentum, and show that the picture presented in the earlier papers generalizes to this case.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A flexible polymer-based luminescent ink for combined thermographic phosphors and digital image correlation (TP+DIC)

Recent work on the development of integrated thermographic phosphors and digital image correlation (TP+DIC) for combined thermal–mechanical measurements has revealed the need for a flexible, stretchable phosphor coating for metal surfaces. Herein, we coat stainless steel substrates with a polymer-based phosphor ink in a DIC speckle pattern and demonstrate that the ink remains well bonded under substrate deformation. In contrast, a binderless phosphor DIC coating produced via aerosol deposition (AD) partially debonded from the substrate. DIC calculations reveal that the strain on the ink coating matches the strain on the substrate within 4% error at the highest substrate loads (0.05 mm/mm applied substrate strain), while the strain on the AD coating remains near 0 mm/mm as the substrate deforms. Spectrally resolved emission from the phosphor is measured through the transparent binder throughout testing, and the ratio method is used to infer temperature with an uncertainty of 1.7 °C. In conclusion, this phosphor ink coating will allow for accurate, non-contact strain and temperature measurements of a deforming surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impact of melt viscosity on filler dispersion in elastomeric nanocomposites

Compounding of commercial nanocomposites usually involves the addition of viscosity enhancers such as binder resins in ink jet inks, and paints. Contrary to this, plasticizers such as process oils are added to reduce the melt viscosity and ease processability of reinforced elastomers. Nanofillers such as silica and carbon black are typically added to reinforce rubber and enhance performance of automotive tire treads. Filler dispersion has traditionally been qualitatively (indirectly) assessed by measuring the properties of reinforced elastomers. While dispersion can be quantified by examining filler agglomeration through surface roughness measurements and microscopy, the size-scale dependence for these hierarchical fillers has usually been ignored. Here, we have recently devised a method to quantify nano-scale dispersion of fillers using Ultra small-angle X-ray scattering (USAXS) techniques. This method is advantageous since it directly links the controllable processing/compounding parameters such as the mixing speed, mixer geometry, residence time (or mixing duration), melt density, flow gap distance, and melt viscosity to nano-scale dispersion. While our previous studies have explored the impact of different processing parameters, this study specifically investigates the impact of melt viscosity on nano-scale filler dispersion in elastomer compounds. Commercially available polybutadienes with different Mooney viscosities were used in conjunction with different grades and amounts of process oils to modify the melt viscosity.

Carbon black↗
DOE OSTI2022

Automated and efficient local adaptive regression for principal component-based reduced-order modeling of turbulent reacting flows

Principal Component Analysis can be used to reduce the cost of Computational Fluid Dynamics simulations of turbulent reacting flows by reducing the dimensionality of the transported variables through projection of the thermochemical state onto a lower-dimensional manifold. However, because of the nonlinearity of the principal component source terms, nonlinear regression techniques must be utilized for the source terms in terms of the principal components. Unfortunately, widely available and utilized nonlinear regression techniques can have prohibitive computational requirements and/or accuracy that is highly dependent on user experience in ad hoc tuning of model architecture and hyperparameters. Here, in this work, a new nonlinear regression approach is proposed that is both computationally efficient and automated so does not require any user input. The approach is evaluated through a priori prediction of principal component source terms using data from a Direct Numerical Simulation of a turbulent nonpremixed n-heptane/air jet flame. In particular, the proposed framework consists of local regressions whose complexity is adapted according to the local nonlinearity of the data: local linear regression when accurate enough and local Artificial Neural Networks when nonlinear regression is required. The number of local clusters for local regression is determined automatically using the Davies-Bouldin index. In addition, Bayesian optimization is utilized for model training (i.e., to select the best architectures and hyperparameters of the nonlinear regressions in an unsupervised fashion), eliminating ad hoc hand-tuning and/or expensive grid searches. Overall, compared to a single, global neural network, the new local adaptive regression approach is shown to have comparable accuracy but 69% less training time due to the utilization of local linear regression and faster training of local neural networks.

42 ENGINEERING↗
DOE OSTI2023

Novel ammonia recovery from anaerobic digestion by integrating biogas stripping and gypsum absorption

Recovering ammonia from anaerobic digestion (AD) effluent offers the opportunity to produce a renewablefertilizer and reduce environmental impact. A novel process developed for such an application was evaluatedduring this study. The feature of the process is integrating biogas stripping and gypsum (CaSO 4 •2H 2 O) absorption. The result revealed that the lower CO 2 content and the absorption temperature contributed the higherefficiency of ammonia recovery. The gypsum solution recovered around 95% of the stripped ammonia when thestripping gas contained 10% CO 2 and it rose to 100% when the gas contained more than 30% CO 2 . Furthermore,a statistical model and genetic algorithm were applied to estimate the total ammonia recovery and optimize theoperating parameters. The experimental and modeling results indicated that integrating biogas stripping withgypsum absorption can effectively harvest ammonia nitrogen and reduce CO 2 emissions while producing(NH 4 ) 2 SO 4 fertilizer from AD effluent.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Economic dispatch of offshore renewable energy resources for islanded communities with optimal storage sizing

Coastal or isolated microgrids depend on diesel generators and could benefit from renewable energy resources, especially offshore wind and wave energy. Integrating these resources into microgrids is complicated by their high intermittency, which requires optimal economic dispatch to effectively evaluate. This study considers three coastal or islanded sites, and uses mid-fidelity models of wind and wave energy technologies, and local demand data to solve the optimal economic dispatch problem. An optimal storage sizing method is developed that finds the smallest capacity of energy storage required to meet the microgrid load during each season. The storage capacity decreases by a factor of two at most when adding wave energy converters to a system. Adding wave energy converters to a farm decreases cost by about 30%. Furthermore, the required storage size varies by two to three times from summer to winter. Compared with the state-of-the-art approaches that often overlook realistic offshore renewable energy technology in microgrid economic dispatch and optimal storage sizing, the proposed solution introduced in this study allows for better site selection, microgrid design, converter selection, and storage sizing considerations for isolated microgrids.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Process development for recovering critical elements from acid mine drainage

The rapid development of advanced technologies has increased the demand for critical elements, such as Mn, Co, and Ni. For this work, a systematic study was conducted to develop a process for producing high-purity Mn, Co, and Ni products from an acid mine drainage (AMD). As major contaminants, Fe and Al in the solution were sequentially precipitated and eliminated by elevating the pH to around 4.00 and 6.50, respectively. After that, a pre-concentrated slurry containing 3,794 mg/L Mn, 59 mg/L Co, 127 mg/L Ni, and 300 mg/L Zn was obtained by collecting the precipitates formed in the pH range of 6.50 to 10.00. The pH of the pre-concentrated slurry was decreased to around 5.00 by adding HCl to re-dissolve Co, Ni, and Zn for further purification. At this pH, greater than 50% of Mn remained undissolved, and filtration of the undissolved material resulted in a product with around 30 wt.% Mn. Sodium sulfide was added into the re-dissolved solution to selectively precipitate Co, Ni, and Zn while remaining Mn in the solution. Almost 100% of Co, Ni, and Zn but only around 15% of Mn were precipitated using a sulfur to metal molar ratio of 1 at pH 4.00. The sulfide precipitate was calcined at 200 °C for 2 h and then completely dissolved in 1.2 M HCl. The critical elements existing in the dissolved solution were efficiently separated using a two-stage solvent extraction process. Ultimately, Co and Ni products with almost 94% and 100% purity were obtained by sulfide and alkaline precipitation, respectively.

42 ENGINEERING↗
DOE OSTI2020

Impacts of the morphology of new neighborhoods on microclimate and building energy

In anticipation of emerging global urbanization and consequent increases in energy use and carbon dioxide emissions, better understanding and quantification of climate effects on energy use in cities are needed, requiring coordinated research into large-scale, regional, and microclimate impacts to and from the city structure. The methodology described here addresses this need by (1) demonstrating a process for creating and testing example morphologies for new neighborhoods for their impact on local and regional meteorology within a two-way-coupled four-domain nested mesoscale weather model (6 km horizontal resolution outer domain, 90 m horizontal innermost domain) and (2) allocating resulting building-level meteorological profiles to each building in a neighborhood for parallel computation of building-by-building energy use. Our Chicago Loop test case shows that the morphology of even a small new added development to a neighborhood affects not only its own microclimate, but also the microclimate of the original neighborhood to which the development was added, and that these changes in microclimate affect both neighborhoods’ building energy use. Furthermore, this method represents an important step toward quantifying and analyzing the relationships among climatic conditions, urban morphology, and energy use and using these relationships to inform energy-efficient urban development and planning.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Current status of anaerobic digestion of food waste in the United States

Utilization of food waste (FW) and food processing waste streams in waste-to-energy technologies has increased over the years in United States (US). This review paper compiled information from published literature and open data sources to obtain a holistic view of the current state of FW availability and its management using anaerobic digestion (AD). The review examined the usage of FW as a feedstock for AD by considering the feedstock composition and availability of FW in the US as well as challenges and opportunities with implementing FW in mono- and co-digestion. Also presented are global trends in FW digestion and the current status of FW codigestion in the US. FW in the US was characterized with regard to volume and composition to show a need for waste management and an opportunity for valuable resource recovery. Challenges and opportunities of processing via AcoD were presented to review best practices for successful operations. Environmental standards, economic incentives, and governmental policies in the US and around the world regarding waste management and utilization were discussed to identify barriers and sources of opportunity for large-scale implementation of AcoD. Additionally, a range of facilities throughout the US was examined for information regarding digestion type, feedstock (s), biogas production and utilization, and energy self-sufficiency to better understand the current status of FW digestion. Several US facilities were outlined as case studies that co-digest FW and produce and utilize biogas for various applications. Future strategies, perspectives, and roadmaps were discussed to elucidate the shaping of future FW management practices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Structural dynamics of the renewable energy economy: A longitudinal input-output insights for a resilient transition

As countries accelerate their energy transitions, understanding how renewable energy (RE) systems structurally integrate into national economies is essential. This study presents a longitudinal economic input-output (EIO) analysis of the renewable energy sector in South Korea from 2016 to 2022. We develop a novel EIO-based framework that disaggregates the RE sector both by energy source (thermal, hydro, nuclear and renewable) and by industrial function (manufacturing, generation, and services), allowing for a detailed assessment of production dynamics, value-added creation, and import dependency. By quantifying backward and forward linkages and induced economic effects, the analysis reveals persistent structural vulnerabilities in renewable manufacturing and increasing sectoral interdependencies. Results reveal that while the renewable energy sector's production and value-added shares have increased, critical segments remain highly import-dependent, particularly in equipment manufacturing. The analysis highlights systemic gaps in domestic supply chain resilience and offers sector-specific insights for reducing vulnerability and enhancing energy security. Although applied to South Korea as a case study, the proposed framework is designed to be transferable to other national contexts where renewable energy planning requires economic structural insights. The findings offer policy-relevant guidance for enhancing domestic energy resilience and aligning industrial strategy with long-term decarbonization goals.

Economic linkage↗