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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A New 1D Model for Thermal Mixing and Stratification in Advanced Reactor Transients

Thermal mixing and stratification in large pools and enclosures play a critical role in the safety and performance of pool-type nuclear reactors, particularly during transient scenarios involving significant temperature differences between incoming and bulk coolant. Accurate modeling of these phenomena is essential for predicting system behavior and supporting passive safety features such as natural circulation. Here, this paper presents a new 1D model for thermal mixing and stratification, developed and implemented in the SAM code. The model represents a large pool as 1D coolant jet channels and zero-dimensional bulk pool volumes, enabling the simulation of a wide range of flow configurations, including hot and cold jet interactions, stratified layers, and the influence of complex geometries such as ceilings, free surfaces, and internal obstacles. Heat exchange between jet and pool regions is governed by closure relations calibrated against 3D computational fluid dynamics (CFD) simulations. The model improves upon earlier approaches by incorporating time-dependent jet characteristics and capturing the associated delay effects more accurately. Code-to-code comparisons and validation against experimental data from the Thermal Stratification Test Facility demonstrate the model’s accuracy and flexibility. This work offers two key contributions: (1) an efficient and robust method for simulating thermal mixing and stratification at the system level, eliminating the need for external coupling between system analysis codes and CFD, and (2) a significant enhancement of SAM’s capabilities to analyze thermal stratification phenomena in advanced reactor systems.

SAM↗
DOE OSTI2025

Perspectives on the Dynamic Nuclear Polarization Mechanisms of Monoradicals: Overhauser Effect or Thermal Mixing?

This mini-review summarizes the evolving debate regarding the origins of the absorptive features seen in the dynamic nuclear polarization (DNP) spectra of certain monoradicals when they are irradiated at their electron Larmor frequency. This feature has drawn attention due to its reverse scaling with respect to the magnetic field strength and potential for high-field DNP. Two competing hypotheses have been introduced to explain the DNP feature based on (1) the Overhauser effect and low-temperature molecular dynamics and (2) radical clustering and a thermal mixing mechanism. Since the original discovery, a large number of experimental observations have been made in attempts to understand and ultimately leverage the mechanism. We summarize these observations and provide critical assessments of how the competing hypotheses approach them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

CFD Simulations of Lower Plenum Mixing

Review of model development and validation performed in the Advanced Reactor Technologies (ART) program for thermal mixing at the outlet of High Temperature Gas Reactors (HTGRs). Understanding the mixing that occurs in the lower plenum in an HTGR is necessary to facilitate design improvements and to perform reactor safety analysis. Numerical models are one possible approach to gain a better understanding of mixing in the lower plenum. Given the complexity of the geometry and the intense mixing present, it is important to perform validation of numerical models. Three models have been developed during FY2025: a porous media with Pronghorn, a Reynolds Averaged Navier Stokes (RANS) with STAR-CCM+, and a Large Eddy Simulation (LES) with NekRS. The reference facility is a scaled-down version of the lower plenum of the High Temperature Gas-Cooled Reactor - Pebble-bed Module (HTR-PM) demonstration reactor. Preliminary results of the porous media and the RANS shows general good agreement against experimental benchmark data. Future work will leverage high-fidelity results obtained through LES to guide model selection and improvements to the lower-fidelity models, with particular attention to the Pronghorn porous media.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Defect formation and transmutation behaviors in irradiated tungsten under thermal-neutron shielded and mixed spectrum conditions

Here, this study investigates the microstructural evolution of pure tungsten irradiated under thermal-neutron shielded and mixed spectrum conditions in the High Flux Isotope Reactor (HFIR). Four samples were irradiated at temperatures from 570 °C to 1130 °C up to 0.73 dpa. Neutron spectrum significantly influenced the accumulation of transmutation products, with Re+Os content estimated at ∼0.3–0.6% under thermal-neutron shielded conditions and ∼5.2% under the mixed spectrum condition. Irradiation temperature strongly influences tungsten’s microstructure, with dislocation loops and fine voids forming at lower temperatures and only larger voids and Re/Os segregation observed at higher temperature. Under thermal-neutron shielded conditions, dislocation loops and voids were observed at 570 °C and 790 °C. At the highest irradiation temperature (1130 °C), dislocation loops were no longer observed, while larger but less dense voids remained. Re and Os segregation to void surfaces was evident at 790 °C and 1130 °C, though no precipitation was observed. In contrast, under the mixed-spectrum condition, both spherical and needle-like Re/Os-rich precipitates were observed, frequently accompanied by large voids. Dislocation loops were not observed, but loop-like contrast within the precipitates suggests they may have nucleated on pre-existing loops. Irradiation-induced hardening was assessed for the shielded samples at 570 °C and 790 °C. Dispersed barrier hardening (DBH) analysis, based on TEM-resolved defects, revealed that voids were the dominant contributors to hardening, consistent with literature results. A schematic model is proposed to describe defect and precipitate evolution in tungsten under fusion-relevant transmutation-to-dpa conditions.

Dislocation loops↗
DOE OSTI2025

Simplifying the creation of thermal decomposition mechanisms for designing mixed fibre composites

Among the most challenging aspects of simulating thermal decomposition of fibre reinforced polymers is the determination of appropriate reaction parameters. Thermogravimetric analysis is typically used to generate decomposition data, to which the reaction parameters are then fit. When designing mixed fibre materials (e.g. combinations of glass and carbon fibres), the number of TGA experiments needed to explore the entire design space may be intractable. Here, we demonstrate the creation of two candidate proxy mixed fibre mechanisms and compare them to a mechanism created by fitting parameters from TGA on the mixed fibre composite. These mechanisms are then demonstrated in a 2D axisymmetric numerical decomposition, heat transfer, and porous flow model. We find a maximum 11% uncertainty in mass and 4% in temperature difference when using a proxy mechanism.

Scott, Sarah N. [Sandia National Lab. (SNL-CA), Li↗
DOE OSTI2026

Mechanochemical synthesis of hydraulically reactive calcium silicate minerals via thermally-assisted mechanical grinding

This study explores a thermally assisted mechanochemical approach alternative to conventional cement synthesis as a potential to produce hydraulically reactive calcium silicate phases. Ball milling of mixed CaO/SiO 2 feedstocks at temperature ranges 100-300 °C increases the formation of the Ca-O-Si bonds and precursor reactivity. Spectroscopic analyses (FTIR, MAS-NMR, UV-Vis DRS) indicate increasing amorphization with milling temperature, attributed to improved mixing and thermally assisted diffusion. Upon hydration, all treated samples exhibit exothermic heat release, with the sample prepared at 300 °C showing the most pronounced reactivity. Thermal analysis reveals weight loss consistent with C-S-H formation, confirming cement-like behavior. In summary, moderate thermal input during milling promotes structural activation and enhances downstream hydraulic reactivity, providing a proof-of-concept for energy-reduced cement precursor processing.

Alite↗
NASA NTRS2026

The Trash Compaction Processing Systems (TCPS) Ground Unit Control Sample Testing

The Trash Compaction Processing System (TCPS) is being developed by NASA and Sierra Space to process crew trash for long-duration missions. The system compacts and thermally processes mixed spacecraft waste to reduce volume and stabilize the material while managing gas and liquid effluents. A Ground Unit (GU) located at Sierra Space in Madison, Wisconsin was used to run a series of tests using standardized control samples representing different trash conditions, including nominal, high liquid, high cloth, benign, and foam. Gas grab samples were collected during processing and analyzed to identify the compounds present in the effluent stream and compare the concentrations to the NASA spacecraft maximum allowable concentrations (SMACs). Additional testing included odor testing at White Sands Test Facility, aerosol measurements, microbiology, and tile characterization. Overall, the compounds detected in the gas samples were well below the SMAC limits for all trash models tested. The results from this testing are being used to help guide the verification approach and test planning for the TCPS Flight Unit that is planned for on-orbit testing on the International Space Station.

Control Samples↗
DOE OSTI2026

Optimizing district energy systems by integrating Borehole Thermal Energy Storage Using a Mixed-Integer Linear Programming g-function framework with a Multi-Timescale Rolling Horizon method

Shallow geothermal has gained increasing attention in recent years; however, a reliable framework for its accurate incorporation into large-scale energy system optimization remains lacking. This study proposes a Mixed-Integer Linear Programming (MILP) framework combined with the g-function approach to integrate Borehole Thermal Energy Storage (BTES) technology into energy system optimization. Validation against a Modelica-based reservoir network simulation demonstrates that the proposed framework effectively captures the ground thermal response under varying energy loads and accurately estimates the borefield energy supply. To enhance scalability, a Rolling Horizon with Multi-Timescale (RH-MTS) method is further introduced, reducing computational time by 73 % for the 1-year optimization model with only minor loss of optimality. The framework is demonstrated through the case study of the UC Berkeley campus. Results indicate that BTES is a cost-effective and low-carbon solution: two borefields comprising 382 boreholes can meet 8.0 % and 6.6 % of the total campus heating and cooling demand, respectively, at an average energy rate of 0.70–0.77 USD/kWh and carbon intensity of 0.54 kg-CO2/kWh. Short-term analysis reveals a 35%–65% decline in BTES energy flow after 3–6 months of continuous heating/cooling operation, while long-term simulation shows that annual energy production of BTES can vary by up to 12.0 % after four years before stabilizing. Overall, this study develops a novel optimization framework that couples physics-based g-function method with MILP optimization framework, thereby advancing methodological development for shallow-geothermal integration and providing actionable guidance for BTES deployment in district-energy systems.

Yang, Jiahui↗
DOE OSTI2026

Insights into mixing of non-isothermal multi-polymer melts for complex plastics recycling

Catalytic recycling or upcycling of plastics is often limited not by catalyst performance, but by transport, arising from highly viscous, non-Newtonian polymer melts. In this work, we develop a reactor-scale framework that integrates rheological measurements, constitutive modeling, computational fluid dynamics (CFD), and experiments to quantify mixing, heat transfer, and dispersion in surrogate hydrocarbon melts representing mixed plastics systems. Temperature- and shear rate-dependent viscosity of low-density polyethylene (LDPE) and high-density polyethylene (HDPE) is measured to create two surrogate polymers (PLD and PHD) that capture the dominant shear-thinning flow behavior while neglecting strong elastic effects, enabling tractable simulation of non-isothermal, polymer-melt mixing using a Carreau-Arrhenius generalized Newtonian framework. Three-dimensional CFD simulations are employed to evaluate impeller performance in PLD using mixing time, cavern volume, thermal uniformity, and interfacial area for regimes in which viscoelastic effects are not dominant. We show that magnetic stir bars commonly used in lab-scale studies produce large thermal gradients (~60 °C) and poor mixing, even under idealized power delivery and polymer flow conditions. In contrast, close-clearance anchor impellers achieve near-isothermal operation, reduce mixing times by up to 5×, and provide >90% active circulation volume. We further demonstrate that, at low pseudo-Deborah number (De*), motor power requirements can be predicted directly from shear rate-dependent rheology using the Carreau-Arrhenius framework, enabling rational selection of operating conditions. Extension to surrogate immiscible multi-polymer systems based on PLD and PHD shows that interfacial area is highly sensitive to operating conditions and impeller design, with coaxial anchor-turbine configurations enhancing dispersion by up to 4 × .

Close-clearance impellers↗
DOE OSTI2025

Entrainment, Detrainment, and Dilution of Dry and Moist Atmospheric Thermals

Here this study examines the entrainment, detrainment, and dilution of dry and moist (cloud) atmospheric thermals in large-eddy simulations. In a neutrally stable environment (with respect to dry dynamics), moist thermals have an increase in radius R with thermal height z t (α ≡ dR/dz t ) about 4 times smaller compared to dry thermals when density stratification is considered and ~2.4 times smaller without density stratification (i.e., applying the Boussinesq approximation). An analytic expression relating α to several dimensionless parameters is derived from the thermal impulse–circulation relation to clarify the factors impacting α. This expression shows that the difference in buoyancy structure between moist and dry thermals, with buoyancy concentrated in the central cores of moist thermals owing to latent heating, explains their smaller spreading rates. Individual contributions of entrainment and detrainment are analyzed using a direct parcel-based approach in the simulations. Moist thermals have similar fractional detrainment but much smaller fractional entrainment rates compared to dry thermals, consistent with the differences in α. Despite having smaller α, moist thermals are similarly dilute (quantified by a passive tracer) as dry thermals because of their greater mixing efficiency with the environment. Thus, moist thermals are substantially dilute but expand much less in size/volume as they rise compared to dry thermals. The α values for moist thermals in (dry) neutral and statically stable environments are similar, but fractional entrainment and especially detrainment rates are greater in the stable environment. Large detrainment rates are associated with a breakdown of the broader thermal vortex ring structure, especially with low environmental relative humidity, attributed in part to evaporation and buoyancy reversal.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Selective Depolymerization for Sculpting Polymethacrylate Molecular Weight Distributions

Chain-end reactivation of polymethacrylates generated by reversible-deactivation radical polymerization (RDRP) has emerged as a powerful tool for triggering depolymerization at significantly milder temperatures than those traditionally employed. In this study, we demonstrate how the facile depolymerization of poly(butyl methacrylate) (PBMA) can be leveraged to selectively skew the molecular weight distribution (MWD) and predictably alter the viscoelastic properties of blended PBMA mixtures. By mixing polymers with thermally active chain ends with polymers of different molecular weights and inactive chain ends, the MWD of the blends can be skewed to be high or low by selective depolymerization. This approach leads to the counterintuitive principle of the “destructive strengthening” of a material. As a result, we demonstrate, as a proof of concept, the encryption of information within polymer mixtures by linking Morse code with the MWDs before and after selective depolymerization, allowing for the encoding of data within blends of synthetic macromolecules.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Circuit complexity and functionality: A statistical thermodynamics perspective

Circuit complexity, defined as the minimum circuit size required for implementing a particular Boolean computation, is a foundational concept in computer science. Determining circuit complexity is believed to be a hard computational problem. Recently, in the context of black holes, circuit complexity has been promoted to a physical property, wherein the growth of complexity is reflected in the time evolution of the Einstein-Rosen bridge (“wormhole”) connecting the two sides of an anti-de Sitter “eternal” black hole. Here, we are motivated by an independent set of considerations and explore links between complexity and thermodynamics for functionally equivalent circuits, making the physics-inspired approach relevant to real computational problems, for which functionality is the key element of interest. In particular, our thermodynamic framework provides an alternative perspective on the obfuscation of programs of arbitrary length—an important problem in cryptography—as thermalization through recursive mixing of neighboring sections of a circuit, which can be viewed as the mixing of two containers with “gases of gates.” This recursive process equilibrates the average complexity and leads to the saturation of the circuit entropy, while preserving functionality of the overall circuit. The thermodynamic arguments hinge on ergodicity in the space of circuits which we conjecture is limited to disconnected ergodic sectors due to fragmentation. The notion of fragmentation has important implications for the problem of circuit obfuscation as it implies that there are circuits of same size and functionality that cannot be connected via a polynomial number of local moves. Furthermore, we argue that fragmentation is unavoidable unless the complexity classes NP and coNP coincide, a statement that implies the collapse of the polynomial hierarchy of computational complexity theory to its first level.

Science & Technology - Other Topics↗
NASA NTRS1977

A Survey of Lunar Rock Types and Comparison of the Crusts of Earth and Moon

The principal known types of lunar rocks are briefly reviewed, and their chemical relationships discussed. In the suite of low-KREEP highland rocks, Fe/(Fe + Mg) in the normative mafic minerals increases and the albite content of normative plagioclase decreases as the total amount of normative plagioclase increases, the opposite of the trend predicted by the Bowen reaction principle. Lunar highland samples analyzed are uniformly distributed in this sequence, in which normative plagioclase contents range from ~ 40 percent to ~ 100 percent. The distribution of compositions of rocks from terrestrial layered mafic intrusives is substantially different: here the analyses fall in several discrete clusters (anorthositic rocks, norites, granophyres and ferrogabbros, ultramafics), and the chemical trends noted above are not reproduced. It is suggested that the observed trends in lunar highland rocks could be produced by crystal fractionation in a deep global surface magma system if (1) plagioclase tended to float, upon crystallization, and (2) the magma was kept agitated and well mixed (probably by thermal convection) until crystallization was far advanced and relatively little residual liquid was left. When such a system was finally immobilized, the Fe-, Na-rich residual liquid would produce Fe-rich mafic minerals in the upper levels of the system, but could not much alter the composition of abundant calcic plagioclase. Conversely, the same liquid would produce sodic plagioclase deep in the sequence, but could not much alter the composition of abundant magnesian mafic minerals. After the crustal system solidified, but before extensive cooling had developed a thick, strong lithosphere, mantle convection was able to draw portions of the lunar anorthositic crust down into the mantle in a manner analogous to the present-day behavior of the terrestrial mantle and crust. At depth, the crustal material was heated; KREEP-rich norite was extracted by partial melting and erupted at the surface as a lava, analogous to terrestrial andesite eruptions.

John A Wood↗
DOE OSTI2025

Sumner County Field Validation: An Assessment of Thermal Energy Storage in Municipal Buildings in Mixed-Humid Climates

The overall aim of the project was to conduct a full-scale implementation of TES in an operational administrative building in Sumner County, Kansas with a special focus of phase change material (PCM) passive implementation in the ceiling envelope. PCM was used with the intention of increasing the ability of public buildings to shift the peak HVAC energy demand and consumption. The study was conducted during the span of three years in 3 phases, (i) phase I: energy audit (pre-retrofit) (ii) phase II: ceiling tile installation (PCM retrofit), and (iii) phase III: energy evaluation (post-retrofit). Temperature and HVAC energy measurements as well as weather data collected is used for an extensive validation study and further parametric assessment to find (a) annual HVAC energy savings (b) peak period electricity and load savings focusing on cooling dominant months of the year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗