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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Boundary-directed epitaxy of block copolymers

Directed self-assembly of block copolymers (BCPs) enables nanofabrication at sub-10 nm dimensions, beyond the resolution of conventional lithography. However, directing the position, orientation, and long-range lateral order of BCP domains to produce technologicallyuseful patterns is a challenge. Here, we present a promising approach to direct assembly using spatial boundaries between planar, low-resolution regions on a surface with different composition. Pairs of boundaries are formed at the edges of isolated stripes on a background substrate. Vertical lamellae nucleate at and are pinned by chemical contrast at each stripe/ substrate boundary, align parallel to boundaries, selectively propagate from boundaries into stripe interiors (whereas horizontal lamellae form on the background), and register to wide stripes to multiply the feature density. Ordered BCP line arrays with half-pitch of 6.4 nm are demonstrated on stripes >80 nm wide. Boundary-directed epitaxy provides an attractive path towards assembling, creating, and lithographically defining materials on sub-10 nm scales.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Out-of-time-order correlators bridge classical transport and quantum dynamics

The out-of-time-order correlator (OTOC) has emerged as a central tool for quantifying decoherence across wide-ranging physical platforms. Here, we demonstrate its direct measurement in a classical ensemble using nuclear magnetic resonance with a modulated gradient spin echo sequence and extend the method into a multidimensional correlation to track exchange phenomena. Position is encoded through magnetic field gradients and momentum through the velocity autocorrelation function, enabling experimental access to OTOCs for proton motion confined within the self-similar lattice of the metal–organic framework MOF-808. Here, water confined to specified geometries within the MOF pores gives rise to spatially distinct diffusive eigenmodes with characteristic relative entropies. We demonstrate that periodic radio frequency driving combined with gradient modulation yields entropy evolution through the selection of distinct diffusion modes. Frequency-resolved diffusion spectra connect these entropy dynamics to classical heat exchange laws, revealing how operational features of quantum systems are mirrored in confined, macroscopic spin ensembles.

Fricke, Sophia N. [University of California, Berke↗
DOE OSTI2020

Controlling $T_c$ through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides

Recent observations of selective emergence (suppression) of superconductivity in the uncollapsed (collapsed) tetragonal phase of LaFe 2 As 2 has rekindled interest in understanding what features of the band structure control the superconducting $T_c$. In this work, we show that the proximity of the narrow Fe-$d_{xy}$ state to the Fermi energy emerges as the primary factor. In the uncollapsed phase this state is at the Fermi energy, and is most strongly correlated and a source of enhanced scattering in both single and two particle channels. The resulting intense and broad low energy spin fluctuations suppress magnetic ordering and simultaneously provide glue for Cooper pair formation. In the collapsed tetragonal phase, the $d_{xy}$ state is driven far below the Fermi energy, which suppresses the low-energy scattering and blocks superconductivity. A similar source of broad spin excitation appears in uncollapsed and collapsed phases of CaFe 2 As 2 . This suggests controlling coherence provides a way to engineer $T_c$ in unconventional superconductors primarily mediated through spin fluctuations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bayesian High-Rank Hankel Matrix Completion for Nonlinear Synchrophasor Data Recovery

Phasor measurement units (PMUs) provide high temporal-resolution synchrophasor measurements for power system monitoring and control. The frequent data quality issues, such as missing and bad data, prevent the incorporation of synchrophasor data in real-time operations. Most existing data-driven data recovery methods assume the power system dynamics can be approximated by a linear dynamical system, and the recovery performance degrades significantly when the power system is experiencing nonlinear dynamics during significant events. Here, this paper proposes a data-driven Bayesian nonlinear synchrophasor data recovery method (Ba-NSDR) that can recover a consecutive time period of simultaneous data losses or errors across all channels, even when the underlying system is highly nonlinear. The idea is to lift the Hankel matrix of the spatial-temporal synchrophasor data to a higher dimension such that the lifted Hankel matrix is low-rank in that space and can be processed with the kernel trick. Our proposed Bayesian method then infers the probabilistic distributions of synchrophasor from the partial observations. Some distinctive features of Ba-NSDR include an uncertainty index to measure the accuracy of the recovery result and the robustness to parameter selections. Our method is verified on both synthetic and recorded event datasets.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Nanoscale inhomogeneity and the evolution of correlation strength in FeSe$$_{1-x}$$S$$_x$$

Abstract We report a comprehensive study of the nanoscale inhomogeneity and disorder on the thermoelectric properties of FeSe $$_{1-x}$$ 1 - x S $$_x$$ x ( $$0 \le x \le 1$$ 0 ≤ x ≤ 1 ) single crystals and the evolution of correlation strength with S substitution. A hump-like feature in temperature-dependent thermpower is enhanced for x = 0.12 and 0.14 in the nematic region with increasing in orbital-selective electronic correlations, which is strongly suppressed across the nematic critical point and for higher S content. Nanoscale Se/S atom disorder in the tetrahedral surroundings of Fe atoms is confirmed by scanning transmission electron microscopy measurements, providing an insight into the nanostructural details and the evolution of correlation strength in FeSe $$_{1-x}$$ 1 - x S $$_x$$ x .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ionic liquids for carbon capture

This article covers cutting-edge research in ionic liquid-based materials and their impact on carbon capture. Ionic liquids boast high thermal stability, low vapor pressure, and great tunability. They can be deployed as either sorbents or supported liquid membranes for carbon capture and other gas separations. Absorption of CO 2 in ionic liquids can be achieved via physisorption or chemisorption, depending on the strength of the interaction. For physisorption, both CO 2 -anion and cation–anion interactions are important factors in dictating CO 2 solubility. For chemisorption, the reactivity with CO 2 can be tuned by the basicity of the anion while the stability of the ionic liquid can be enhanced by controlling the cation. Marrying ionicity of ionic liquids with porosity leads to novel porous ionic liquids that feature unique properties for facilitating gas transport, while interfacing ionic liquids with microporous membranes allow the ions to gate the pores for selective gas transport. Further, composite materials of ionic liquids with crystalline materials such as metal–organic frameworks offer scalable heterogeneous interfaces to promote selectivity. Future opportunities include controlling the interaction with CO 2 and its transport at the charged or electrified interface with the ionic-liquid electric double layer, as well as combining CO 2 capture and conversion with ionic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Conference Support: 50th Midwest/Southeast Regional Photosynthesis Conference 2024

The DOE grant referenced above supported the 50th Anniversary Meeting of the Midwest/Southeast Regional Photosynthesis Conference, held at Turkey Run State Park, Marshall, Indiana, from October 25-27, 2024. The meeting featured four keynote speakers – Drs. Govindjee, Wim Vermaas, David Vinyard, and Lauren Metskas – and 12 oral presentations by student and postdoctoral trainees, selected from submitted abstracts. The meeting had a total attendance of 85 participants, including 62 students and research scientists. DOE funds were used to waive the registration fees for all students and trainees (totaling $\$$2,500) and to support seven travel awards of $\$$350 each, for a total of $\$$2,450. Each travel award covered food and accommodation for the recipient at Turkey Run State Park during the conference.

14 SOLAR ENERGY↗
DOE OSTI2025

An Innovative High Throughput Genome Releaser for Rapid and Efficient PCR Screening

High-throughput PCR screening is vital in synthetic biology and metabolic engineering as it allows researchers to rapidly analyze and detect numerous targeted genetic mutation in the genome. Current challenges for high-throughput PCR screening in synthetic biology include efficiently preparing genomic DNA, optimizing protocols for diverse sample types, managing contamination risks, and effectively analyzing the large volumes of data generated while ensuring consistent and accurate results. In this study, we present the development of a High Throughput Genome Releaser (HTGR), an innovative device addressing common challenges in screening PCR. This genome DNA releaser is designed based on a squash method for rapid, cost-effective, and efficient DNA release, optimized for subsequent PCR reactions. After experimenting with various synthetic materials, we selected a plastic that closely replicates the smooth surface and compression properties of microscope slides, ensuring reliable performance. We engineered a device featuring a 96-Well Plate and a shear applicator, operable both manually and automatically, and compatible with standard liquid-handling robot platform. This compatibility enhances ease of use in high-throughput PCR workflows. Additionally, we developed software to support its automatic functions. Our results demonstrated that the specially engineered 96-Well Plate and HTGR can effectively squash fungal spores , which release enough genome DNA for PCR screening. The genome releaser facilitates the preparation of PCR-amplifiable genomic DNA substrate from 96 samples within minutes, eliminates the need for extraction buffers, and is adaptable to a wide range of microorganisms and cells, which could significantly advance biomanufacturing processes.

Yuan, Guoliang [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2026

Rapid Evaluation Framework for the CMIP7 Assessment Fast Track

As Earth system models (ESMs) grow in complexity and in volume of output data, there is an increasing need for rapid, comprehensive evaluation of their scientific performance. The upcoming Assessment Fast Track for the Seventh Phase of the Coupled Model Intercomparison Project (CMIP7) will require expeditious response for model analyses designed to inform and drive integrated Earth system assessments. To meet this challenge, the Rapid Evaluation Framework (REF), a community-driven platform for benchmarking and performance assessment of ESMs, was designed and developed. The initial implementation of the REF, constructed to meet the near-term needs of the CMIP7 Assessment Fast Track, builds upon four disparate community evaluation and benchmarking tools that are coupled together using the Coordinated Model Evaluation Capabilities (CMEC) framework. The REF runs within a containerized workflow for portability and reproducibility and is aimed at generating and organizing diagnostics covering a variety of model variables. The REF leverages well documented observational datasets to provide assessments of model fidelity across a collection of diagnostics. All diagnostics were identified and selected with community involvement and consultation. Operational integration with the Earth System Grid Federation (ESGF) will permit automated execution of the REF for selected diagnostics as soon as model output data are published on ESGF by the originating modeling centers. The REF is designed to be portable across a range of current computational platforms to facilitate use by modeling centers for assessing the evolution of model versions or gauging the relative performance of CMIP simulations before being published on ESGF. When integrated into production simulation workflows, results from the REF provide immediate quantitative feedback that allows model developers and scientists to quickly identify model biases and performance issues. After the REF is released to the community, its subsequent development and support will be prioritized by an international consortium of scientists and engineers, enabling a broader impact across Earth science disciplines. For instance, the REF will facilitate improvements to models and will enhance confidence in model projections through process-based selection of models based on their performance with respect to observations. Production of reproducible diagnostics and community-based assessments are key features of the REF. Furthermore, providing interoperability with existing evaluation packages assures that contributions from previous community efforts will be available for use in future model intercomparison projects.

Hoffman, Forrest [ORNL] (ORCID:0000000158024134)↗
DOE OSTI2022

Smart sensor for online situational awareness in power grids

Waveforms in power grids typically reveal a certain pattern with specific features and peculiarities driven by the system operating conditions, internal and external uncertainties, etc. This prompts an observation of different types of waveforms at the measurement points (substations). An innovative next-generation smart sensor technology includes a measurement unit embedded with sophisticated analytics for power grid online surveillance and situational awareness. The smart sensor brings additional levels of smartness into the existing phasor measurement units (PMUs) and intelligent electronic devices (IEDs). It unlocks the full potential of advanced signal processing and machine learning for online power grid monitoring in a distributed paradigm. Within the smart sensor are several interconnected units for signal acquisition, feature extraction, machine learning-based event detection, and a suite of multiple measurement algorithms where the best-fit algorithm is selected in real-time based on the detected operating condition. Embedding such analytics within the sensors and closer to where the data is generated, the distributed intelligence mechanism mitigates the potential risks to communication failures and latencies, as well as malicious cyber threats, which would otherwise compromise the trustworthiness of the end-use applications in distant control centers. The smart sensor achieves a promising classification accuracy on multiple classes of prevailing conditions in the power grid and accordingly improves the measurement quality across the power grid.

Dehghanian, Payman↗
DOE OSTI2026

Dynamic permeability in metastable droplet interfacial bilayers

Membrane pores are implicated in several critical functions, including cell fusion and the transport of signaling molecules for intercellular communication. However, these structural features are often difficult to probe directly. Droplet interfacial bilayers offer a synthetic platform to study such membrane properties. We develop a theory that links size-selective transport across a metastable membrane with its transient structural properties. The central quantity of our theory is a dynamic permeability that depends on the mechanism of pore growth, which controls the transient distribution of pore sizes in the membrane. We present a mechanical perspective to derive pore growth dynamics and the resulting size distribution for growth via Ostwald ripening and discuss how these dynamics compare to other growth mechanisms such as coalescence and growth through surfactant desorption. We find scaling relations between the transported particle size, the pore growth rate, and the time for a given fraction of particles to cross the membrane, from which one may deduce the dominant mechanism of pore growth, as well as material properties and structural features of the membrane. Finally, we suggest experiments using droplet interfacial bilayers to validate our theoretical predictions.

Sarma, Nivedina A↗
DOE OSTI2022

The scientific potential and technological challenges of the High-Luminosity Large Hadron Collider program

Here, we present an overview of the High-Luminosity (HL-LHC) program at the Large Hadron Collider (LHC), its scientific potential and technological challenges for both the accelerator and detectors. The HL-LHC program is expected to start circa 2027 and aims to increase the integrated luminosity delivered by the LHC by an order of magnitude at the collision energy of 14 TeV. This requires upgrades to the injector system, accelerator complex and luminosity levelling. The two experiments, ATLAS and CMS, require substantial upgrades to most of their systems in order to cope with the increased interaction rate, and much higher radiation levels than at the current LHC. We present selected examples based on novel ideas and technologies for applications at a hadron collider. Both experiments will replace their tracking systems. We describe the ATLAS pixel detector upgrade featuring novel tilted modules, and the CMS Outer Tracker upgrade with a new module design enabling use of tracks in the level-1 trigger system. CMS will also install state-of-the-art highly segmented calorimeter endcaps. Finally, we describe new picosecond precision timing detectors of both experiments. In addition, we discuss how the upgrades will enhance the physics performance of the experiments, and solve the computing challenges posed by the expected large data sets. The physics program of the HL-LHC is focused on precision measurements probing the limits of the Standard Model (SM) of particle physics and discovering new physics. We present a selection of studies that have been carried out to motivate the HL-LHC program. A central topic of exploration will be the characterization of the Higgs boson. The large HL-LHC data samples will extend the sensitivity of searches for new particles or new interactions whose existence has been hypothesized in order to explain shortcomings of the SM. Finally, we comment on the nature of large scientific collaborations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Antiferromagnetic fluctuations and orbital-selective Mott transition in the van der Waals ferromagnet Fe 3–x GeTe 2

Fe 3–x GeTe 2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes, and are the moments local or itinerant. In this work, we demonstrate that antiferromagnetic spin fluctuations coexist with the ferromagnetism through comprehensive elastic and inelastic neutron scattering and thermodynamic measurements. Our realistic dynamical mean-field theory calculations reveal that the competing magnetic fluctuations are driven by an orbital selective Mott transition (OSMT), where only the plane-perpendicular a 1g orbital of the Fe(3d) manifold remains itinerant. Our results highlight the multi-orbital character in Fe 3–x GeTe 2 that supports a rare coexistence of local and itinerant physics within this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Microstructure‐Informed Analysis Framework for Lattice Structures: Guiding Topology‐Material Synergy in Titanium Alloys

In this work we discuss a microstructure‐informed analysis framework for lattice structures that maps the material's microstructural response to guide topology selection and mechanical performance optimization. By coupling geometrical topology with intrinsic material behavior, we demonstrate how anisotropic microstructural response can inform the design of optimized lattice structures. To illustrate this concept, we focus on two distinct classes of titanium alloys: Ti5553 (Ti‐5Al‐5Mo‐5V‐3Cr wt%), which exhibits a predominantly ‐phase microstructure, and Ti64 (Ti‐6Al‐4V wt%), which features a dual‐phase structure. These alloys exhibit markedly different mechanical responses under multiaxial loading in “fully dense” solid form. The strut‐level stress analysis of these alloys reveals how specific microstructural characteristics can guide the selection of appropriate lattice topologies. Two representative lattice configurations, one stretching‐dominated and one bending‐dominated, are evaluated under identical loading conditions to explore how microstructure‐driven design can lead to topology choices that are better suited to accommodate shear or other critical local stress states, thereby enhancing mechanical performance. A strut‐level mechanics‐based analysis is performed to evaluate shear stress distribution and highlight the role of topology‐microstructure synergy and compatibility in determining overall lattice behavior. The findings emphasize the importance of designing structures that are both load‐aware and microstructure‐responsive, enabling more effective material utilization in advanced engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Super-Resolution Photothermal Patterning in Conductive Polymers Enabled by Thermally Activated Solubility

Doping induced solubility control (DISC) patterning is a recently developed technique which uses the change in polymer solubility upon doping, along with an optical dedoping process, to achieve high resolution optical patterning. DISC patterning is remarkable because the process resolution exceeds the linear Abbe’s diffraction limit, however, no mechanism has been proposed to explain such high resolution. Here, we use diffraction to spatially modulate the light intensity and determine the dissolution rate, revealing a superlinear dependence on light intensity, which yields features that are sharper than the profile of the writing photomask. This rate law is independent of wavelength, indicating that patterning resolution is not dominated by an optical dedoping reaction, as was previously proposed. Instead we show here that the optical patterning mechanism is primarily controlled by the thermal profile generated by the laser. To quantify this effect, the thermal profile and dissolution rate are modeled using a finite-element model and compared against patterned line cross sections as a function of wavelength, laser intensity, and dwell time. Our model reveals that although the laser-generated thermal profile is broadened considerably beyond the lasers resolution, the highly temperature dependent dissolution rate results in selective dissolution near the peak of the thermal profile. Therefore, the key factor in achieving super-resolution patterning is a strongly temperature dependent dissolution rate|a common feature of many polymers. In addition to suggesting several routes to improved resolution, our model also demonstrates that doping is not required for optical patterning of conjugated polymers, as was previously believed. Instead, we demonstrate that superlinear resolution optical patterning is attainable in any conjugated polymer simply by tuning the solvent quality during patterning, thus extending the applicability of our method to a wide class of materials. Here, we demonstrate the generality of photothermal patterning by writing sub-400 nm features into undoped Pff-BT4T-2OD.

36 MATERIALS SCIENCE↗
DOE OSTI2026

User’s Manual for RESRAD-RDD&IND Code Version 2: Vol. 2—User’s Guide for RESRAD-RDD&IND Code

Version 2.0 of the RESRAD-RDD&IND computer code is designed to support the implementation of protective action guides (PAGs) after a nuclear emergency incident including a radiological dispersal device (RDD) and/or an improvised nuclear device (IND) incident (EPA 2017). Eight different group types, addressing various decisions, are available for selection. The RESRAD-RDD&IND code calculates radiological doses, stay times, etc., for the selected group that the user wishes to focus on. (That is, the results for all the groups are not calculated simultaneously, and the input for those other groups do not matter, although some parameter values are shared between groups.) Version 2.0 has a user-friendly interface so that the RESRAD-RDD&IND code can be used with minimal training. For example, the user can select the major characteristics of the problem-event type, source term, and decision type from the left side of the interface and then calculate the results with the default assumptions for the exposure scenarios. More in-depth analysis would include specifying site-specific exposure scenario characteristics in the right side of the interface. The procedures for data entry and results viewing are self-explanatory. This is because common window maneuvering features and text instructions were incorporated in the interface design. General and context-specific help are available to aid users entering parameter values, as well. The RESRAD-RDD&IND computer code gives the user the option to select either an RDD or IND incident for analysis. For an RDD event analysis, 11 radionuclides (Am-241, Cf-252, Cm-244, Co-60, Cs-137, Ir-192, Po-210, Pu-238, Pu-239, Ra-226, and Sr-90) are included. These 11 radionuclides are the radionuclides most likely used for an RDD. More than 90 radionuclides can be selected for an IND event analysis. Initial default concentrations are provided for 44 radionuclides for a uranium-fueled IND event. These 44 radionuclides are those that would contribute significantly to the radiation dose associated with a uranium-fueled bomb detonation. The radionuclides generated from ingrowth of these 44 initial radionuclides are also automatically included in the analysis. Pu-239, Cs-134m, Ru-105, and Rb-89 and their progeny can be selected for analysis if they are detected and their concentrations are determined. This user’s guide, which is Volume 2 of the User’s Manual for RESRAD-RDD&IND Code Version 2, provides instructions to users on how to install the RESRAD-RDD&IND code, navigate the interface, and use the various features, including those discussed above, to set up an analysis and view/print the results in text outputs. Volume 1 of the User’s Manual for RESRAD-RDD&IND Code Version 2 (Yu et al. 2026), which contains descriptions of the methodology and theoretical basis for dose modeling and the mathematical equations implemented in the code, can be accessed and viewed through the Help menu in the code or can be downloaded from the RESRAD website (https://resrad.evs.anl.gov).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Effect of silver($\mathrm{I}$) ion reduction on the selectivity of olefins, paraffins, and aromatic compounds by gas chromatographic stationary phases consisting of silver($\mathrm{I}$) salts in ionic liquids

We report the olefin/paraffin selectivity offered by ionic liquid (IL) stationary phases can be enhanced through the addition of silver(I) ion, which is well-known to undergo selective complexation with unsaturated compounds. However, such stationary phases often suffer from the loss of chromatographic selectivity as silver(I) ion can be reduced to elemental silver. To maintain the separation performance of silver(I) ion/IL stationary phases, an understanding of factors and conditions that promote the reduction of silver(I) ion is needed. In this study, capillary gas chromatography columns featuring a stationary phase consisting of the 1-decyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C 10 MIM + ][NTf 2 - ]) IL impregnated with [Ag + ][NTf 2 - ] were examined to investigate the effects of temperature, hydrogen content in exposure gas stream, and time of heating/exposure events on olefin selectivity. Retention factors of representative analytes, such as C 6 olefins and paraffins as well as aromatic compounds, were measured after subjecting the columns to the aforementioned conditions, followed by an evaluation of selectivity factors over time. Selectivity factors of olefins and aromatic compounds were observed to decrease significantly when the stationary phases were heated to temperatures higher than 110°C as well as being subjected to mixed gas streams containing greater than 50 mol% of hydrogen. As constant column heating temperatures were applied under exposure gas mixtures containing hydrogen and nitrogen, a gradual decrease in analyte selectivity factors was observed under prolonged periods of time. However, application of a ternary gas mixture comprised of 25/50/25 mol% hydrogen/nitrogen/methane resulted in an increase in the 3-hexyne/cis-2-hexene selectivity when measured at 120°C for 60 h, due to a smaller decrease in the retention factor of 3-hexyne compared to cis-2-hexene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗