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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Unpolarized GPDs at small x and non-zero skewness

We study the small-x asymptotics of unpolarized generalized parton distributions (GPDs) and generalized transverse momentum distributions (GTMDs). Unlike the previous works in the literature, we consider the case of non-zero (but small) skewness while allowing for non-linear contributions to the evolution equations. We first show that unpolarized GPDs and GTMDs at small x are related to the eikonal dipole amplitude N, whose small-x evolution is given by the BK/JIMWLK evolution equations, and to the odderon amplitude $\mathscr{O}$, whose evolution is also known in the literature. We then show that the effect of non-zero skewness ξ ≠ 0 is to modify the value of the evolution parameter (rapidity) in the arguments for the dipole amplitudes N and $\mathscr{O}$ from Y = ln(1/x) to Y = ln min{1/|x|, 1/|ξ|}.

Generalized parton distributions (GPDs)↗
DOE OSTI2024

Investigation of pedestal parameters and divertor heat fluxes in small ELM regimes in DIII-D

Abstract Divertor heat flux and its correlation with pedestal parameters within various small edge localized mode (ELM) regimes, including high beta poloidal, type-II and ELMs with negative triangularity H-modes were investigated in DIII-D. The parallel energy fluences of type-II and high beta poloidal small ELM regimes fall below the linear scaling with pedestal electron pressure for type-I ELMs put forward in Eich et al 2017 ( Nucl. Mater. Energy 12 84–90). The negative triangularity of H-mode ELMs follow the Eich scaling for type-I ELMs. The parallel heat flux and total heat loads to the divertor were determined using high-time resolution infrared thermography, while pedestal parameters were obtained through self-consistent kinetic equilibrium reconstructions. Linear regressions for the type-II and high beta poloidal regimes demonstrate that an equivalent 7.5 MA small ELM scenario in ITER would fall below the ~5 MJ m − 2 leading edge melting limit for tungsten (Gunn et al 2017 Nucl. Fusion 57 046025). Utilizing fast thermography, the scrape-off layer power fall-off length for both inter-ELM and intra-ELM was determined and compared to the Eich scaling with poloidal magnetic field in Eich et al (ASDEX Upgrade Team and JET EFDA Contributors 2013 Nucl. Fusion 53 093031). Except for the high beta poloidal scenario, all the small ELM regimes during both inter- and intra-ELM periods had power fall-off lengths ( λ q ) larger then would be expected from the B pol , MP − 1 scaling associated with type-I ELMs, signifying their potential in managing heat loads and offering a solution for core–edge integration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Efficient analysis of small-angle scattering curves for large biomolecular assemblies using Monte Carlo methods

Structure elucidation from small-angle scattering curves of large biomolecular assemblies is notoriously challenging. This is because the simulation of high-resolution features in the structure of large macromolecular assemblies, such as de novo protein assemblies, is computationally demanding when it needs to cover a broad range of length scales. Conventional methods, such as the numerical approximation to the Debye equation or the use of spherical harmonics, do not scale well as the size of the assembly increases, which limits their application to small structures (e.g. individual proteins). This work explores the effectiveness of a Monte Carlo method to simulate and fit scattering curves for large biomolecular assemblies spanning over ranges covering atomic and molecular detail (e.g. spacing and orientation of proteins in an assembly) as well as large-scale (hundreds of nanometres) features. Owing to its speed and scalability, it can be combined with a fitting algorithm to extract structural features from experimental small-angle scattering curves in biomolecular assemblies that are otherwise intractable for interpretation. This work first demonstrates the effectiveness of the tool using experimental small-angle X-ray scattering (SAXS) data from tile-like proteins that assemble into 1D tube-like macromolecular structures. Here, the diameter distribution of tubes is extracted from SAXS fits, and this is quantitatively compared with distributions from electron microscopy. SAXS data are also obtained from 2D sheet-like protein assemblies, and the proposed method is used to quantify structural features such as the separation distance between protein building blocks and the flexing of the sheet. An open-source implementation of the methodology is provided for use in a broad range of biological systems involving multi-scale scattering analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Small-Signal Analysis of Current-Limiting Grid-Forming Inverters

Grid-forming (GFM) inverters are equipped with a current limiter to protect the device during grid disturbances. Because the intervention of the current limiter can compromise the transient stability of the GFM inverter, various types of current limiter designs and additional frequency-stabilization control methods have been proposed in recent literature to aid in transient GFM inverter stability; however, the small-signal stability implications of adding these additional control blocks during, in particular, off-nominal conditions are not fully understood. To address this challenge, this paper presents a generic small-signal model of a GFM inverter that incorporates various types of current limiters and frequency stability-enhancing controls. With the proposed model, we analyze the root causes of inverter instability, which reveals two critical design trade-offs. First, due to current-limiter engagement caused by a disturbance, the GFM inverter dynamics are altered, which can lead to voltage oscillations. Second, additional frequency-stabilization controls can improve the small-signal stability of the GFM inverter, but at the cost of reduced power and voltage support to the grid. Comprehensive hardware experiments validate the theoretical concept and analysis. The findings in this work underscore the importance of incorporating both transient-response and small-signal dynamics requirements into the design procedure of GFM current limiters and frequency-stabilization controls.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Direct Air Capture Using Trapped Small Amines in Hierarchical Nanoporous Capsules on Porous Electrospun Fibers (Final Technical Report)

This report summarizes the carbon capture research and development conducted by The State University of New York at Buffalo (UB) and GTI Energy (GTI) for award “DE-FE0031969: Direct Air Capture Using Trapped Small Amines in Hierarchical Nanoporous Capsules on Porous Electrospun Fibers” sponsored by the U.S. Department of Energy (DOE). The objective of this project is to develop an innovative sorbent structure of trapped small amines in HNC embedded in PEF for DAC. This involves tailoring both sorbent and PEF materials to achieve a compact system for DAC with high capacity for CO 2 at concentrations typically available in air and at near ambient conditions. An innovative sorbent structure of trapped small amines in hierarchical nanoporous capsules (HNC) embedded in porous electrospun fibers (PEF) was developed for direct air capture (DAC). This involves tailoring both sorbent and PEF materials to achieve a compact system for DAC with high capacity for CO 2 at concentrations typically available in air and at near ambient conditions. An interfacial polymerization process was developed, which utilized loaded amines inside mesoporous silica and trimesoyl chloride (TMC) dissolved in organic solvents as the precursors, to generate a polyamide (PA) coating layer on mesoporous silica and thus trap amines. Reaction conditions, including TMC concentration, organic solvents, reaction time, etc., for interfacial polymerization were optimized to effectively trap loaded amines, and cyclic heating-cooling operation was conducted to evaluate the coating quality. Larger pore volume mesoporous silica was also synthesized to increase amine loading and thus increase CO 2 capacity. The optimized sorbent material exhibited CO 2 capacity as high as 4.88 mmol/g under humid DAC conditions and negligible loss (<1%) during 10 cyclic heating-cooling operations. The optimized PA-coated sorbent also showed fast adsorption and desorption kinetics, with <20% t1/2 increase compared to uncoated sorbent. PEF fabrication conditions, including organic solvents for dissolving core and shell polymers, voltage, distance from the nozzle to the collection panel, etc. were adjusted to better incorporate HNC. After incorporating the optimized sorbent material into PEF, the structured sorbent had a CO 2 capacity of approximately 4.0 mmol/g under humid DAC conditions, with capacity loss of 0.17% per cycle and t1/2 increase less than 10%. A techno-economic analysis (TEA) for the process design for a DAC system based on our developed sorbent structure of trapped small amines in HNC embedded in PEF was conducted. The process design included process description and major equipment sizing and energy and mass balances in addition to scale-up research results and estimated capture cost. Aspen Adsorption Simulator was used to fit the experimentally measured breakthrough curves and extract equilibrium and kinetic data of the optimized sorbent. Our results indicated that for a DAC plant with CO 2 productivity of 3,000 tonne/year, the levelized cost of CO 2 capture was $\$$612/tonne, with the largest contribution of 44.33% from the fixed operation cost. Increasing CO 2 productivity, while maintaining similar fixed operation cost, is expected to significantly reduce the CO 2 capture cost. A sensitivity study was also conducted to understand the influence of total plant cost, sorbent cost, CO 2 concentration in the feed, sorbent mat lifetime, sorbent regeneration electricity, and adsorption blower pressure drop on the levelized cost of CO 2 capture, revealing a capture cost range of $\$$520-870/tonne.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Two-Scale Neural Networks for Partial Differential Equations with Small Parameters

We propose a two-scale neural network method for solving partial differential equations (PDEs) with small parameters using physics-informed neural networks (PINNs). We directly incorporate the small parameters into the architecture of neural networks. The proposed method enables solving PDEs with small parameters in a simple fashion, without adding Fourier features or other computationally taxing searches of truncation parameters. Various numerical examples demonstrate reasonable accuracy in capturing features of large derivatives in the solutions caused by small parameters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Layers Can Be Deceiving: A Hopping Model for Small Molecule Diffusion in TATB Crystal

Sorption of small molecule gases in materials can play a significant role in their long‐term stability and compatibility within multi‐material assemblies. While many material properties of the insensitive high explosive TATB (1,3,5‐triamino‐2,4,6‐trinitrobenzene) are well understood, very little is known regarding its permeability to gases. TATB crystal exhibits a graphitic‐like layered packing structure that evokes a mental schema in which the layers form nanoscopic channels, but it is unclear whether this structure promotes gas transport. Here, we use molecular dynamics (MD) simulations to predict transport of small molecules through TATB single crystal. An approach to fit classical force fields is developed to model TATB interactions with H 2 O, He, Ne, and Ar, which is then combined with steered MD to probe gas transport along selected directions in the crystal. We find that small molecule transport occurs via a hopping mechanism that exhibits distinct jumps between interstitial sites and is substantially faster normal to the layers as compared to through them. This result stems from the finding that intralayer junctions between adjacent TATB molecules are the most stable interstitial sites and that energetic barriers are lower for hopping between adjacent layers. An empirical model for diffusion rate based on the MD data shows that the rate decays exponentially with increasing molecular radius and is negligibly small for all molecules larger than He, including common atmospheric gases. These findings have implications for the interpretation of experiments that measure surface area, material response to extreme conditions, and are expected to help constrain models for material aging.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Analytical small-signal stability analysis of low-inertia power system frequency response considering secondary frequency regulation

Modern power systems are increasingly vulnerable to frequency instability as inverter-based resources (IBRs) replace synchronous machines and reduce system rotational inertia. Existing small-signal frequency stability assessment methods are either computationally intensive, relying on simulation-driven approaches, or lack analytical stability regions that explicitly account for secondary frequency response (SFR). This paper introduces new analytical frameworks that enable evaluation small-signal frequency stability while explicitly incorporating tunable IBR and SFR parameters. Using Kharitonov’s theorem with an overbounding approach, explicit small-signal stability criteria are derived. In addition, based on Białas’ criterion and Hurwitz matrix, analytical stability regions are established to reveal feasible design spaces for SFR and IBR parameters tuning. Extensive Matlab/Simulink-based simulations validate the accuracy and computational efficiency of the proposed methods, demonstrating that coordinated tuning of SFR and IBR parameters can substantially enhance system resilience. By bridging analytical rigor with practical tunability, this work provides an analytical framework for assessing small-signal frequency stability in low-inertia grids, supporting the real-time, scalable, and resilient operation of sustainable power systems.

14 SOLAR ENERGY↗
DOE OSTI2025

Proton spin from small-x with constraints from the valence quark model

We apply the valence quark model [1] to constrain the non-perturbative initial condition for the small-x helicity evolution. The remaining free parameters are constrained by performing a global analysis akin to [2] to the available polarized small-x deep inelastic scattering data. A good description of the world data is obtained with only 8 free parameters. The model parameters are tightly constrained by the data, allowing us to predict the proton polarized structure function $g^p_1$ to be negative at small x. Furthermore, we obtain the small-x quark and gluon spins to give a contribution $\int^{0.1}_{10^{-5}} dx (\frac{1}{2}\Delta\Sigma + \Delta{G}) = 0.63 ± 0.10$ or $1.35 ± 0.16$ (or to the proton spin, depending on the applied running coupling prescription.

Color-class condensate↗
DOE OSTI2026

Coherent and Dynamic Small Polaron Delocalization in CuFeO 2

Small polarons remain a bottleneck in realizing efficient transition metal oxide devices. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain unclear. Here, we measure small polaron formation in CuFeO 2 using transient extreme ultraviolet reflection spectroscopy and compare to theoretical predictions in realistically parametrized Holstein models, demonstrating that polaron localization depends on coupling to high-frequency versus low-frequency phonon bath components. We measure small polaron formation on a comparable ∼100 fs timescale to other Fe(III) compounds. Dynamic delocalization of the polaron follows formation through a coherent lattice expansion between Fe–O layers and charge-sharing with surrounding Fe(IV) states. Simulations reveal two major factors dictate polaron formation timescales: phonon density and reorganization energy distributions between acoustic and optical modes, matching experimental findings. Our work shows how electronic-structural coupling in a polaron-host material can be leveraged to suppress polaronic effects for various applications.

Hematite↗
DOE OSTI2026

Technoeconomic Design Optimization for Fast Reactors. Part I: Workflow Development and Case Study for Small LFR District Energy Application

The nuclear industry is developing small reactor designs that can target a variety of deployment locations and energy products. Smaller nuclear designs have traditionally struggled to handle the steep trade-offs between size and cost that have historically incentivized large reactors. This motivates computational optimization of small reactors to minimize costs and quantify the trade-off between size and cost. In this paper, the cost/size trade-off for a small fast reactor is derived using a multi-objective genetic algorithm optimization, with steady-state, transient, and cost analysis of the fast reactor being performed. Specifically, the method is demonstrated on a small 10- to 120-MW(thermal) U-Pu-Zr–fueled lead-cooled fast reactor with a 10-year core life for district energy applications, which can have a thermal load compatible with this range. The results reinforced that fast reactor cores at the lower end of this power range suffer cost penalties due to critical mass considerations. It was found that high power density cores with strong reactivity swings and many control rods were favored over designing to minimize reactivity swing. Furthermore, this contrasts with some traditional configurations designed using engineering judgment and demonstrates that optimizers can find nontraditional but realistic solutions, along with demonstrating the value of incorporating cost functions into whole-reactor design optimization.

Fast reactor↗
DOE OSTI2025

Proton Spin from Small-x With Constraints from the Valence Quark Model

We apply the valence quark model to constrain the non-perturbative initial condition for the small-x helicity evolution. The remaining free parameters are constrained by performing a global analysis to the available polarized small-x deep inelastic scattering data. A good description of the world data is obtained with only 8 free parameters. The model parameters are tightly constrained by the data, allowing us to predict the proton polarized structure-function to be negative at small x. Furthermore, we obtain the small-x quark and gluon spins, depending on the applied running coupling prescription.

Adamiak, Daniel [Thomas Jefferson National Acceler↗
DOE OSTI2026

Dark Matter Constraints from Small-Scale Cosmic Structure

Small-scale cosmic structure provides a powerful test of the fundamental nature of dark matter (DM). A wide range of DM models impact matter clustering on small scales, including warm, fuzzy, and (self-)interacting DM. In these scenarios, DM physics such as free-streaming, wave interference, and self/Standard Model interactions alter the abundance and internal structure of DM halos. Cosmological and astrophysical probes of nonlinear structure---including dwarf galaxies, strong lensing, the Lyman-$α$ forest, stellar streams, and high-redshift galaxies---are therefore sensitive to these effects. Here, we review DM constraints provided by small-scale structure, focusing on observables that probe scales smaller than $\sim 1~\mathrm{Mpc}$, which define the frontier of current measurements. We summarize how these constraints have been translated to limits on microphysical DM models, and we discuss key modeling uncertainties and observational systematics. Finally, we highlight the growing importance of probe combination and simulation-based inference for this field, and we overview upcoming observational facilities that will sharpen small-scale structure tests of DM physics.

Nadler, Ethan O. [UC, San Diego] (ORCID:0000000211↗
DOE OSTI2024

Small Hydropower Plant Response Improvement Using Energy Storage

Small hydropower plants contribute significantly to global power generation. However, due to limited storage, these can have low ramping capacity and poor load-frequency regulation. These can prevent small hydropower plants from being used in isolated grids as backup power to critical loads and rural areas. In this paper, a control architecture for frequency control is proposed that facilitates the use of energy storage to improve the response of standalone small hydropower plants. The frequency controller generates power commands using proportional control on frequency deviation and a user-defined power setpoint, and this incorporates with a current controller that facilitates power injection. The distinctive feature of the controller design is that it takes into account frequency thresholds and storage constraints to enable power injections, and it provides the capability to perform automated and manual recharge of the energy storage. Simulations using detailed nonlinear models demonstrate the improved performance of the hydropower with energy storage using the proposed controller. Automated and manual recharge and the impact of the energy storage constraints on the performance of the hydropower plant are demonstrated.

13 HYDRO ENERGY↗
DOE OSTI2025

Progress and challenges in small systems

We present a comprehensive review of the theoretical and experimental progress in the investigation of novel high-temperature quantum chromodynamics phenomena in small systems at both the Relativistic Heavy Ion Collider and the Large Hadron Collider. We highlight the challenges and opportunities associated with studying small systems, by which we generally mean collision systems that involve at least one light ion or even a photon projectile. Here, we discuss perspectives on possible future research directions to better understand the underlying physics at work in the collisions of small systems.

collective behavior↗
DOE OSTI2024

Statistically-driven Experimental Design to Improve Reference-free Quantification of Small Molecules by Liquid Chromatography-Mass Spectrometry

Non-targeted analysis of small molecules and metabolites in unknown, complex samples using liquid chromatography-tandem mass spectrometry remains challenging. One of the main bottlenecks is the extensive unannotated regions of metabolomics mass spectrometry data, resulting in knowledge gaps. Small molecule annotation in mass spectrometry data has conventionally relied on reference standards and libraries for compound identification and confirmation, which can constrain compound identification to those molecules already known, thus limiting the ability to discover new knowledge and new markers. Retention time prediction can facilitate and expedite unknown compound identification in non-targeted analysis of complex metabolomics samples. Additionally, accurate retention time predictions can also inform sample mixture design for LC-MS/MS analyses. However, current machine learning-based methods for retention time prediction are typically developed for specific chromatographic platforms and are not generalizable across scales. And while technologies and methods to improve reference-free metabolite identification for more comprehensive annotation of unknowns has received much attention, development of the same for quantitation without reference standards has been much more limited, despite its importance in toxicological, environmental, food safety, forensics, and clinical applications. We believe that a reference-free quantitation strategy that exploits mass spectrometry data already collected for reference-free identification can provide much more insight on unknowns, and move the metabolomics field for more complete unknowns characterization. As such, we pursue two efforts to improve upon current state-of-the-art methods in non-targeted analysis: (1) machine learning-based retention time prediction and (2) statistical design of experiments framework for reference-free quantitation. In this work, we develop and demonstrate (1) a generalizable retention time prediction capability across chromatographic conditions and scales, and (2) a statistical design-based framework for response factor contribution elucidation and reference-free quantitation. Evaluation of our retention time prediction model, PrediToR, showed approximately 24% improvement over current models, and we observed approximately 10X improvement in concentration estimation accuracy from our statistical design-based response factor model over a primarily ionization efficiency-based model. We expect that future efforts to improve upon these new capabilities will further advance non-targeted analysis of small molecules towards truly reference-free metabolomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Influence of Thermal Energy Storage Integration Strategy on System Performance and Refrigerant Charge for Small-Scale R290 Heat Pumps

As small-scale (2.5 – 5 kW) heat pumps across the US increase straining the grid during peak hours, integrated heat pump thermal energy storage (HP-TES) systems can assist by load shifting. However, challenges arise when assembling these systems, as direct refrigerant-phase change material (PCM) heat exchangers (HXs) increase refrigerant charge, and indirect secondary loops degrade HP-TES performance. In this work, direct and indirect HP-TES configurations were sized using commercially available HXs to compare the available load shift time and performance at similar refrigerant charges. For the same indirect 5 kW HP-TES refrigerant charge, directly HP-TES can operate up to 72 and 145 minutes in cooling and heating modes, respectively, using small diameter tubes. Using Modelica, COP increases for direct and indirect HP-TES were 22% and 9%, respectively, given the parasitic losses in the indirect HP-TES. Overall, small-scale direct HP-TES can have comparable refrigerant charges with indirect HP-TES maximizing COP improvements.

25 ENERGY STORAGE↗
DOE OSTI2024

Increased Static Charge–Induced Threshold Voltage Shifts and Memristor Activity in Pentacene OFETs Comprising Polystyrene–Based Gate Dielectrics Containing Electroactive Small Molecule Crystallites

Top-contact bottom-gate pentacene OFETs are fabricated with single layer dielectrics comprised of either polystyrene (PS), poly(4-methylstyrene) (P4MS), or poly(4-tert-butylstyrene) (P4TBS). The polystyrenes are blended with varying concentrations of two different small molecules, dibenzotetrathiafulvalene (DBTTF) and 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES-ADT), to form small, separated crystallites contained throughout the polymer dielectric layer. The OFET characteristics of these devices are investigated and their threshold voltage shifts are measured after –70 V static charging for 5 min. Two-terminal measurements are conducted using multiple different gate biases in the range of –50 to +50 V to investigate memristor behavior in the devices. OFETs containing DBTTF exhibited ΔVth increases as large as 330% relative to control OFETs containing no DBTTF, while OFETs containing at least 7.5 wt.% DBTTF exhibited memristor activity, with currents ranging from 20 nA to 44 µA depending on the applied bias. Furthermore, this work demonstrates that including small, separated crystallites in polymer dielectrics enhances their charge storage ability and can be promising for creating nonbinary memory devices for data processing. Additionally, the observed memristor activity indicates the OFETs in this work can be used in development of neuromorphic systems that aim to mimic the synaptic behavior of the human nervous system.

25 ENERGY STORAGE↗