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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Multi–Stage Optimization of Pore Size and Shape in Pore–Space–Partitioned Metal–Organic Frameworks for Highly Selective and Sensitive Benzene Capture

Compared to exploratory development of new structure types, pushing the limits of isoreticular synthesis on a high-performance MOF platform may have higher probability of achieving targeted properties. Multi-modular MOF platforms could offer even more opportunities by expanding the scope of isoreticular chemistry. However, navigating isoreticular chemistry towards best properties on a multi-modular platform is challenging due to multiple interconnected pathways. Here on the multi-modular pacs (partitioned acs) platform, we demonstrate accessibility to a new regime of pore geometry using two independently adjustable modules (framework-forming module 1 and pore-partitioning module 2). A series of new pacs materials have been made. Benzene/cyclohexane selectivity is tuned, progressively, from 4.5 to 15.6 to 195.4 and to 482.5 by pushing the boundary of the pacs platform towards the smallest modules known so far. The exceptional stability of these materials in retaining both porosity and single crystallinity enables single-crystal diffraction studies of different crystal forms (as-synthesized, activated, guest-loaded) that help reveal the mechanistic aspects of adsorption in pacs materials.

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

Design and construction of the CMS Outer Tracker for the phase-2 upgrade

The High-Luminosity LHC (HL-LHC) is expected to deliver an integrated luminosity of 3000–4000 fb −1 over 10 years of operation with the peak instantaneous luminosity reaching about 5–7.5 × 1 0 34 cm −2 s −1 . During Long Shutdown 3, several components of the CMS detector will undergo major improvements, called Phase-2 upgrades, to be able to operate in the challenging environment of the HL-LHC. The current CMS tracker will be replaced. The Phase-2 Outer Tracker (OT) will have increased radiation tolerance, higher granularity, and the capability to handle higher data rates. Moreover, the OT will provide tracking information to the Level-1 trigger for the first time at a hadron collider, allowing trigger rates to be kept at a sustainable level without sacrificing physics potential. For this, the OT will be made of modules with two closely-spaced silicon sensors read out by front-end ASICs that can correlate hits in the two sensors to create short track segments, used in the Level-1 track finder. The modules come in two flavors: strip-strip and pixel-strip, containing different sensor configurations and multiple ASICs. This contribution presents the Phase-2 OT, the finalization of the OT module design, and the quality assurance and control procedures used to ensure that the modules fulfill both the specifications from the assembly steps as well as the proper communication among the ASICs.

Zoi, Irene [Fermilab] (ORCID:0000000257389446)↗
DOE OSTI2025

Role of Ammonium Hydroxide on Glucose Oxidase Immobilized in Metal–Azolate Framework-7 Enzyme Activity

Enzymes are nature’s catalysts, but their instability outside native environments limits practical applications. Metal–organic frameworks (MOFs) offer a promising platform for enzyme immobilization, enhancing stability, and reusability through their tunable porosity and crystallinity. While ZIF-based MOFs have been extensively studied, metal azolate framework-7 (MAF-7) remains largely unexplored for biomimetic mineralization. Its hydrophilic character makes it a promising alternative for enzyme encapsulation; however, the role of essential basic modulators such as ammonium hydroxide (NH 4 OH) on enzyme structure and function has not been investigated. Here, in this study, we examine the NH 4 OH mediated synthesis of glucose oxidase within MAF-7 using powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), cryogenic transmission electron microscopy (cryo-TEM), and enzyme assays. Our results show that NH 4 OH modulates crystal morphology, enzyme activity, and nucleation behavior, with higher concentrations leading to partial enzyme denaturation and reduced catalytic performance. By integrating time-resolved cryo-TEM with activity assays, we uncover how modulator concentration impacts early stage crystallization and enzyme folding, a mechanistic insight not previously demonstrated in MOF systems. These findings highlight modulator chemistry as a critical, underexplored variable in MOF synthesis, advancing rational design strategies for enzyme@MOFs (E@MOF) beyond ZIFs and toward more tunable, biocompatible frameworks like MAF-7.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Engineering an Extremely Hybrid PKS for Adipic Acid Production

Polyketide synthases (PKSs) are modular enzymes with exceptional potential as biocatalysts for producing non-native compounds. Here, we report the first PKS-based pathway for adipic acid (AA), an industrial monomer for nylon production, by engineering one of the most extensively hybridized PKS systems to date. Using a retrobiosynthetic approach, we identified EtnB, a succinyl-CoA-loading module that uniquely retains the terminal carboxyl group, enabling access to dicarboxylic polyketide products, rarely produced by canonical PKSs. EtnB was coupled to a fully reducing extension module through an engineered communication linker, which improved ACP–KS interactions, enhanced titers, and demonstrated selective succinyl-CoA loading in vivo . This construct integrates genes from five organisms─with domains from seven PKS modules joined across six non-natural junctions─and functions in both Escherichia coli and Pseudomonas putida . Additional engineering that included AT domain exchanges, optimization of extender unit supply, and host strain metabolic rewiring further increased AA production. Together, this work demonstrates that highly chimeric PKSs can be rendered functional through rational design, expands the PKS toolkit with a carboxyl-retaining loading module, and establishes a versatile platform for engineering diacids and other noncanonical products through PKS pathways.

biomanufacturing↗
DOE OSTI2025

Amplifying Magnetic Field Effects on Upconversion Emission via Molecular Qubit-Driven Triplet–Triplet Annihilation

Triplet-triplet annihilation (TTA) enables photon upconversion by combining two lower-energy triplet excitons to produce a higher-energy singlet exciton. This mechanism enhances light-harvesting efficiency for solar energy conversion and enables the use of lower-energy photons in bioimaging and photoredox catalysis applications. The magnetic modulation of such high-energy excitons presents an exciting opportunity to develop molecular quantum information technologies. While the spin dynamics of triplet exciton pairs are sensitive to external magnetic fields, the magnetic field effects (MFEs) associated with these pairs are generally limited by spin statistics to at most 10% at low fields (<1 Tesla), making them challenging to apply in technological advancements. In contrast, MFEs on spin-correlated radical pairs (SCRPs) can be significantly greater, surpassing those on triplet pairs. By using SCRPs-based molecular qubits as triplet sensitizers in the sensitized TTA scheme, we can magnetically modulate TTA and consequently, the delayed fluorescence of annihilators. In our current system, we have achieved more than 70% magnetic modulation of delayed fluorescence, effectively harnessing and even amplifying magnetic modulation within SCRPs to influence high-energy excitons. In conclusion, this work opens new opportunities for advancing spin-controlled chemical reactions and molecular quantum information technologies.

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

Hidden non-collinear spin-order induced topological surface states

Abstract Rare-earth monopnictides are a family of materials simultaneously displaying complex magnetism, strong electronic correlation, and topological band structure. The recently discovered emergent arc-like surface states in these materials have been attributed to the multi-wave-vector antiferromagnetic order, yet the direct experimental evidence has been elusive. Here we report observation of non-collinear antiferromagnetic order with multiple modulations using spin-polarized scanning tunneling microscopy. Moreover, we discover a hidden spin-rotation transition of single-to-multiple modulations 2 K below the Néel temperature. The hidden transition coincides with the onset of the surface states splitting observed by our angle-resolved photoemission spectroscopy measurements. Single modulation gives rise to a band inversion with induced topological surface states in a local momentum region while the full Brillouin zone carries trivial topological indices, and multiple modulation further splits the surface bands via non-collinear spin tilting, as revealed by our calculations. The direct evidence of the non-collinear spin order in NdSb not only clarifies the mechanism of the emergent topological surface states, but also opens up a new paradigm of control and manipulation of band topology with magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Reversible two-way tuning of thermal conductivity in an end-linked star-shaped thermoset

Polymeric thermal switches that can reversibly tune and significantly enhance their thermal conductivities are desirable for diverse applications in electronics, aerospace, automotives, and medicine; however, they are rarely achieved. Here, we report a polymer-based thermal switch consisting of an end-linked star-shaped thermoset with two independent thermal conductivity tuning mechanisms—strain and temperature modulation—that rapidly, reversibly, and cyclically modulate thermal conductivity. The end-linked star-shaped thermoset exhibits a strain-modulated thermal conductivity enhancement up to 11.5 at a fixed temperature of 60 °C (increasing from 0.15 to 2.1 W m –1 K –1 ). Additionally, it demonstrates a temperature-modulated thermal conductivity tuning ratio up to 2.3 at a fixed stretch of 2.5 (increasing from 0.17 to 0.39 W m –1 K –1 ). When combined, these two effects collectively enable the end-linked star-shaped thermoset to achieve a thermal conductivity tuning ratio up to 14.2. Moreover, the end-linked star-shaped thermoset demonstrates reversible tuning for over 1000 cycles. The reversible two-way tuning of thermal conductivity is attributed to the synergy of aligned amorphous chains, oriented crystalline domains, and increased crystallinity by elastically deforming the end-linked star-shaped thermoset.

42 ENGINEERING↗
DOE OSTI2025

Historical and Future Learning for the New Era of Multi-Terawatt Photovoltaics

Solar photovoltaics (PV) is entering a new era of multi-terawatt deployment, with 2 TW already in service and more than 75 TW predicted in many scenarios by 2050. This next era has been enabled by over five decades of cumulative advances in PV module cost reduction, performance and reliability. The current scale of deployment also introduces new needs, opportunities and challenges. In this Perspective we frame a path forwards based on learning, broadly defined as a combination of expansion of knowledge and advances through research and development, experience and collaboration. We discuss historical topics where learning has driven PV deployment until now, and emerging areas that are required to sustain high levels of future deployment. We expect progress to continue in terms of module price, performance and reliability, driven by advances in PV cell and module design, the emergence of tandem devices and increased focus on extending module lifetimes. Large-scale deployment also means large-scale sustainability and responsibility. We therefore posit that additional metrics, such as the impact on global CO2 emissions, resource consumption and design for reuse and recycling, will become increasingly important to the PV industry and provide opportunities for further learning.

14 SOLAR ENERGY↗
DOE OSTI2026

Nanoscale Amorphization of Poly(Triarylamine) for Efficient and Stable Inverted Perovskite Photovoltaics

Perovskite solar modules require hole-selective layers that combine efficient charge extraction, interfacial uniformity and scalable processing. Poly(triarylamine) (PTAA) is widely used in high-performance inverted perovskite photovoltaics, but its nanoscale crystallization and aggregation on indium tin oxide can disrupt film continuity, increase interfacial recombination and limit module stability. Here we show that 4-fluorobenzylphosphonic acid (4FBPA) modifies the surface of indium tin oxide to induce nanoscale amorphization of PTAA, forming a uniform sub-10-nm hole-selective layer. The molecule binds to indium tin oxide through a dehydration reaction, tunes the work function and surface free energy of the photoanode, and improves energy-level alignment with PTAA. The resulting amorphous PTAA film shows enhanced conductivity and hole extraction, suppresses non-radiative recombination at the buried interface and promotes more uniform perovskite growth. Inverted perovskite solar cells reach a power conversion efficiency of 26.63%, while blade-coated modules achieve a certified quasi-steady-state efficiency of 23.01%. The modules retain 95.9% of their initial efficiency after 2,600 hours of maximum-power-point operation under 1-sun illumination at 65 +- 5 degrees C in nitrogen. These results identify nanoscale amorphization of polymeric hole-selective layers as a route to efficient and stable inverted perovskite photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2026

Automatic Lane-Level Road Network Extraction from Aerial Imagery for Transportation Digital Twins

Accurate road networks are essential for credible traffic microsimulation and transportation digital twins, yet high-definition maps are often difficult to obtain due to limited availability, high cost, or proprietary restrictions. Some build networks from crowdsourced data, such as OpenStreetMap, but these sources often contain geometric and semantic inconsistencies. Others create networks manually, a process that is labor-intensive and difficult to scale. To address these limitations, this work presents an end-to-end pipeline that automatically extracts georeferenced, lane-level road networks from publicly available high-resolution satellite imagery and converts them into simulation-ready assets. The developed end-to-end pipeline has three primary modules: (1) A computer-vision-based module first detects directed lane geometries and intersection layouts. (2) A heuristic-based topology construction module then identifies approach and exit legs and establishes conflict-free lane-to-lane connections. (3) Finally, an automatic simulation-building module converts the extracted network into standard formats, e.g., OpenDRIVE, and generates routable SUMO networks. The framework supports both complete network construction from scratch and local-scale refinement of existing networks through lane-count correction, transition recovery, and geometric regularization. The proposed pipeline provides a practical pathway to generate traffic simulation networks from satellite imagery, significantly reducing manual reconstruction effort and enabling scalable, continuously updated transportation digital twins.

Guo, Hetian [University of Georgia, Athens] (ORCID↗
DOE OSTI2025

CHARGE-MAP: An integrated framework to study the multicriteria EV charging infrastructure expansion problem

The widespread adoption of electric vehicles (EVs) in recent years has necessitated the development of effective charging infrastructures. However, charging infrastructure expansion is a multifaceted problem that requires careful consideration of the existing infrastructure, spatiotemporal distribution of charging demands, power-grid capacity, and budget constraints. Here, to approach this complex problem, we present CHARGE-MAP, a data-driven simulation-optimization framework, focused on ensuring meaningful charging experience for individual EV owners. CHARGE-MAP integrates three modules: an agent-based simulation module that estimates spatiotemporal distribution of charging demands by modeling EV adopter mobility and charging behavior; an optimization module that determines optimal new charging station/charger locations and capacities, while minimizing expected detour distances and wait-times with a limited number of new stations; and a power module that determines how to connect the stations to the power grid while maintaining its stability. Using the state of Virginia (consisting of 95 counties and 38 independent cities) as a case study, our results show that CHARGE-MAP can meet the demand of ~198,600 predicted EVs with 1,305 new public charging stations and 2,164 new chargers. It reduces average detour distances for charging by 66% and wait-times at stations by 72% compared to the existing infrastructure. Furthermore, transformer capacity requirement analysis reveals that only 1.8% of residential transformers require upgrades, while over 80% of commercial charging locations can be supported with modest transformer infrastructure (25 to 50 kVA). This indicates that targeted investments can facilitate cost-effective EV integration. Consequently, CHARGE-MAP provides policymakers and urban planners with crucial data-driven insights for effective EV charging infrastructure expansion. Sign up for PNAS alerts.

charging infrastructure↗
DOE OSTI2026

Silicon pinhole strip defects and their impact on ATLAS Inner Tracker HV current measurement

In preparation for the High-Luminsity LHC (HL-LHC) [1], the ATLAS detector will undergo major detector upgrades, including the replacement of the current Inner Detector with the new all-silicon Inner Tracker (ITk) [2]. The ITk consists of a pixel detector close to the beamline surrounded by a large-area strip detector. During detector production, the electrical properties of silicon sensors and readout electronics must be characterized through a series of quality control (QC) and quality assurance tests. These tests ensure any defect is captured at the earliest possible stage. One such defect, callled a pinhole, occurs when the strip implant and the metal readout electrode are shorted through the intermediary dielectric layer. Notably, the introduction of pinholes during module assembly and pinhole effects on completed modules, especially on leakage current measurement circuitry, have never been studied. In this paper, we investigate the effect of such connections on the sensor leakage current measurements of completed modules and introduce new ways to locate pinholed strips. Here, with minor modifications to testing procedures, such defects are shown not to impede module testing or performance.

FOS: Physical sciences↗
DOE OSTI2024

Warming effects on grassland soil microbial communities are amplified in cool months

Abstract Global warming modulates soil respiration (RS) via microbial decomposition, which is seasonally dependent. Yet, the magnitude and direction of this modulation remain unclear, partly owing to the lack of knowledge on how microorganisms respond to seasonal changes. Here, we investigated the temporal dynamics of soil microbial communities over 12 consecutive months under experimental warming in a tallgrass prairie ecosystem. The interplay between warming and time altered (P < 0.05) the taxonomic and functional compositions of microbial communities. During the cool months (January to February and October to December), warming induced a soil microbiome with a higher genomic potential for carbon decomposition, community-level ribosomal RNA operon (rrn) copy numbers, and microbial metabolic quotients, suggesting that warming stimulated fast-growing microorganisms that enhanced carbon decomposition. Modeling analyses further showed that warming reduced the temperature sensitivity of microbial carbon use efficiency (CUE) by 28.7% when monthly average temperature was low, resulting in lower microbial CUE and higher heterotrophic respiration (Rh) potentials. Structural equation modeling showed that warming modulated both Rh and RS directly by altering soil temperature and indirectly by influencing microbial community traits, soil moisture, nitrate content, soil pH, and gross primary productivity. The modulation of Rh by warming was more pronounced in cooler months compared to warmer ones. Together, our findings reveal distinct warming-induced effects on microbial functional traits in cool months, challenging the norm of soil sampling only in the peak growing season, and advancing our mechanistic understanding of the seasonal pattern of RS and Rh sensitivity to warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

General Approach to Solving Spin Moiré Superstructures

Recently, a host of exciting magnetic textures such as topologically protected skyrmion lattices has been discovered in several bulk metallic lanthanide compounds. In addition to hosting skyrmion phases, a hallmark of this class of materials is the appearance of numerous spin textures characterized by superposition of multiple magnetic modulations: spin moiré superlattices. In order to understand the multitude of complex phases often present in these materials, we require a general-purpose experimental and theoretical framework. Here, we demonstrate such an approach in EuAg4⁢Sb2 by comprehensively characterizing and modeling its three complex zero-field magnetic textures. Systematic symmetry-breaking experiments using uniaxial strain determine that the ground-state incommensurate magnetic phase (ICM1) is single 𝑞, meaning the magnetic moments modulate along one magnetic propagation vector. In contrast, ICM2 and ICM3 are both double 𝑞, meaning they are formed from the superposition of two sinusoidal spin modulations, i.e., spin moiré superlattices. Further, through application of polarized small-angle neutron scattering and spherical neutron polarimetry, we demonstrate that ICM1 is a single-𝑞 cycloid and ICM2 and ICM3 are double-𝑞 vortex lattices. Despite the quasi-two-dimensional nature of EuAg4⁢Sb2, the modulations propagate out of the ab plane, leading to a shift of the spin texture between triangular lattice planes. Further, the ICM3 to ICM2 transition includes an unusual 45° rotation of the magnetic vortex lattice. Motivated by the coexistence of such drastically different phases in this compound, we conclude by developing a phenomenological model that sheds light on the energetic origins of these varied phases. Our experimental probes and theoretical modeling definitively characterize three different and tunable phases in one material and provide insight for the design of topological spin-texture materials.

Neves, Paul [Massachusetts Institute of Technology↗
DOE OSTI2026

High-precision phase control of an optical lattice with up to 50 dB noise suppression

An optical lattice is a periodic light crystal constructed from the standing-wave interference patterns of laser beams. It can be used to store and manipulate quantum degenerate atoms and is an ideal platform for the quantum simulation of many-body physics. A principal feature is that optical lattices are flexible and possess a variety of multidimensional geometries with modifiable band structure. An even richer landscape emerges when control functions can be applied to the lattice by modulation of the position or amplitude with Floquet driving. However, the desire of realizing high-modulation bandwidths while preserving extreme lattice stability has been difficult to achieve. In this paper, we demonstrate an effective solution that consists of overlapping two counterpropagating lattice beams and controlling the phase and intensity of each with independent acousto-optic modulators. Our phase controller mixes sampled light from both lattice beams with a common optical reference. This dual heterodyne locking method allows exquisite determination of the lattice position, while also removing parasitic phase noise accrued as the beams travel along separate paths. Here, we report up to 50 dB suppression in lattice phase noise in the 0.1–1 Hz band, along with significant suppression spanning more than 4 decades of frequency. The absolute phase diffusion of the lattice position is only 10 Å when integrated over 10 s. This method permits precise, high-bandwidth modulation (greater than 50 kHz) of the optical lattice intensity and phase. We demonstrate the efficacy of this approach by executing intricate time-varying phase profiles for atom interferometry.

Atom interferometry↗
DOE OSTI2024

Photochemically induced acousto-optics in gases

Acousto-optics consists of launching acoustic waves in a medium (usually a crystal) in order to modulate its refractive index and create a tunable optical grating. Here, in this article, we present the theoretical basis of an alternative scheme to generate acousto-optics in a gas, where the acoustic waves are initiated by the localized absorption (and thus gas heating) of spatially modulated UV light, as was demonstrated by Michine and Yoneda [Commun. Phys. 3, 24 (2020)]. We identify the chemical reactions initiated by the absorption of UV light via the photodissociation of ozone molecules present in the gas, and calculate the resulting temperature increase in the gas as a function of space and time. Solving the Euler fluid equations shows that the modulated, isochoric heating initiates a mixed acoustic-entropy wave in the gas, whose high-amplitude density (and thus refractive index) modulation can be used to manipulate a high-power laser. We calculate that diffraction efficiencies near 100% can be obtained using only a few millimeters of gas containing a few percent ozone fraction at room temperature, with UV fluences of less than 100 mJ/cm 2 —consistent with the experimental measurements. Our analysis suggests possible ways to optimize the diffraction efficiency by changing the buffer gas composition. Gases have optics damage thresholds 2–3 orders of magnitude beyond those of solids; these optical elements should therefore be able to manipulate kilojoule-class lasers.

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

Search for Periodic Time Variations of the Solar 8 B Neutrino Flux between 1996 and 2018 in Super-Kamiokande

We report a search for time variations of the solar 8 B neutrino flux using 5804 live days of Super-Kamiokande data collected between May 31, 1996, and May 30, 2018. Super-Kamiokande measured the precise time of each solar neutrino interaction over 22 calendar years to search for solar neutrino flux modulations with unprecedented precision. Periodic modulations are searched for in a dataset comprising five-day interval solar neutrino flux measurements with a maximum likelihood method. We also applied the Lomb-Scargle method to this dataset to compare it with previous reports. The only significant modulation found is due to the elliptic orbit of the Earth around the Sun. The observed modulation is consistent with astronomical data: we measured an eccentricity of (1.53 ± 0.35)%, and a perihelion shift of (−1.5 ± 13.5) days.

astroparticle detectors↗