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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 91 records · Page 5

Self‐Strain Suppression of the Metal‐to‐Insulator Transition in Phase‐Change Oxide Devices

Strongly correlated materials exhibiting phase transitions which can be controlled through external stimuli, such as electric fields, are promising for future computing technologies beyond conventional semiconductor transistors. Devices that take advantage of structural phase transitions have inherent built‐in memory, reminiscent of synapses and neurons, and are thus natural candidates for neuromorphic computing. Of particular interest are phase‐change oxides, which allow for control over the metal‐to‐insulator transition. Here, X‐ray nano‐diffraction structural imaging of micro‐devices fabricated with the archetypal phase‐change material vanadium sesquioxide (V 2 O 3 ) is reported. The devices contain a Ga ion‐irradiated region where the metal‐to‐insulator transition critical temperature is lowered, a useful feature for controlling neuron‐like spiking behavior. Results show that strain, induced by crystal lattice mismatch between the pristine and irradiated material, leads to a suppression of the metal‐to‐insulator‐transition. Suppression occurs within the irradiated region or along its edges, depending on the defect‐distribution and the size of the region. The observed self‐straining effect can extend to other phase‐change oxides and dominate as device dimensions are reduced and become too small to dissipate strain within the irradiated region. The findings are important for phase engineering in phase‐change devices and highlight the necessity to study phase transitions at the nanoscale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

PtCoO 2 for Scaled Interconnects

Copper (Cu) interconnects are an increasingly important bottleneck in integrated circuits due to energy consumption and latency caused by the notable increase in Cu resistivity as dimensions decrease, primarily due to electron scattering at surfaces. Herein, the potential of a directional conductor, PtCoO 2 , which has a low bulk resistivity and a distinctive anisotropic structure that mitigates electron surface scattering is showcased. Thin films of PtCoO 2 of various thicknesses are synthesized by molecular beam epitaxy (MBE) coupled with a postdeposition annealing process and the superior quality of PtCoO 2 films is demonstrated by multiple characterization techniques. The thickness‐dependent resistivity curve illustrates that PtCoO 2 significantly outperforms effective Cu (Cu with TaN barriers) and Ru in resistivity below 20.0 nm with a more than 6x reduction compared to effective Cu below 6.0 nm, having a value of only 6.32 μΩ cm at 3.3 nm. It is determined that grain boundary scattering can still be improved for even lower resistivities in this material system through a combination of experiments and theoretical simulations. PtCoO 2 is therefore a highly promising alternative material for future interconnect technologies promising lower resistivities, better stability, and significant improvements in energy efficiency and latency for advanced integrated circuits.

Li, Yansong [Department of Electrical Engineering ↗

Characterization of the biofilm landscape of Bacillus subtilis by spatial microproteomics

Bulk proteomics has been demonstrated to differentiate subpopulations within bacterial colonies, yet advanced analyses by mass spectrometry imaging (MSI) hold even greater promise for the future. This technology can enable high-throughput spatial phenotyping that can reshape biological discovery by providing visualization of components of various biomolecular mechanisms. With high mass resolving power and high spatial resolution analyses being routine, we can confidently enable intact protein imaging directly from samples with minimal preparation. Pairing those analyses with bulk experimental libraries can provide high confidence in annotations of post-translational modifications (PTMs) and truncations. Revealing PTM localization within the samples unlocks a direct window into unknown biology at the microscale. However, top-down proteomics (TDP) is not commonplace for microbial species, largely due to challenges in identifying detected peptides and proteins; considering the theoretical proteome of even the well-studied model bacterium Bacillus subtilis was only partially mapped recently. With little still known about the form and function of many of these proteins – let alone proteoforms, where PTMs and truncations of the same protein may possess unique physiological roles – there is a wealth of work to be done. Here we jointly apply TDP and MSI to describe the microscale spatial proteomic landscape within B. subtilis and further demonstrate the feasibility of detecting differentiated subpopulations through proteoforms across the biofilm landscape.

bacterial biofilms↗

Global techno-economic and life cycle greenhouse gas emissions assessment of solar and wind based renewable hydrogen production

This study conducts a global assessment of renewable hydrogen production pathways, focusing on techno-economic performance and life cycle greenhouse gas (GHG) emissions. It evaluates standalone solar photovoltaic (PV), wind, and hybrid PV/wind systems, integrated with proton exchange membrane (PEM) electrolyzers, through multi-objective optimization and considering embodied emissions in manufacturing PV, wind and electrolyzers. Results identify optimal configurations to minimize levelized cost of hydrogen (LCOH) and carbon intensity (CI) of hydrogen, showing potential reductions of cost and CI by 2030. Standalone PV systems can achieve LCOH values smaller than 6.5 USD/kg H 2 and CI less than 2.5 kg CO 2 eq/kg H 2 in regions with high solar irradiance, such as North Africa, the Middle East and Chile. Wind systems in regions such as Middle East, North Africa, Australia and Central United States achieve LCOH below 5 USD/kg H 2 and CI under 1.5 kg CO 2 eq/kg H 2 . Hybrid systems emerge as the optimal solution for minimizing both the LCOH and CI by maximizing the use of renewable energy. Moreover, the results also indicate that, with the technological advancements, future reduction in the capital cost of renewable energy systems and the PEM electrolyzer as well as the trade of coproduct O 2 could drive the LCOH of all the RES-based hydrogen systems below 1 USD/kg H 2 and the CI below zero in different regions as Middle East, North Africa and Central United State

08 HYDROGEN↗

Microchannel reactive distillation for the conversion of aqueous ethanol to ethylene

Here we demonstrate the proof-of-concept for microchannel reactive distillation for alcohol-to-jet application: combining ethanol/water separation and ethanol dehydration in one unit operation. Ethanol is first distilled into the vapor phase, converted to ethylene and water, and then the water co-product is condensed to shift the reaction equilibrium. Process intensification is achieved through rapid mass transfer—ethanol stripping from thin wicks using novel microchannel architectures—leading to lower residence time and improved separation efficiency. Energy savings are realized with integration of unit operations. For example, heat of condensing water can offset vaporizing ethanol. Furthermore, the dehydration reaction equilibrium shifts towards completion by immediate removal of the water byproduct upon formation while maintaining aqueous feedstock in the condensed phase. For aqueous ethanol feedstock (40% w ), 71% ethanol conversion with 91% selectivity to ethylene was demonstrated at 220 °C, 600 psig, and 0.28 h -1 wt hour space velocity. 2.7 stages of separation were also demonstrated, under these conditions, using a device length of 8.3 cm. This provides a height equivalent of a theoretical plate (HETP), a measure of separation efficiency, of ~3.3 cm. By comparison, conventional distillation packing provides an HETP of ~30 cm. Thus, 9.1× reduction in HETP was demonstrated over conventional technology, providing a means for significant energy savings and an example of process intensification. Finally, preliminary process economic analysis indicates that by using microchannel reactive distillation technology, the operating and capital costs for the ethanol separation and dehydration portion of an envisioned alcohol-to-jet process could be reduced by at least 35% and 55%, respectively, relative to the incumbent technology, provided future improvements to microchannel reactive distillation design and operability are made.

10 SYNTHETIC FUELS↗

Quantum Pair Generation in Nonlinear Metasurfaces with Mixed and Pure Photon Polarizations

Metasurfaces are highly effective at manipulating classical light in the linear regime; however, effectively controlling the polarization of nonclassical light generated from nonlinear resonant metasurfaces remains a challenge. Here, in this study, we present a solution by achieving polarization engineering of frequency-nondegenerate biphotons emitted via spontaneous parametric down-conversion in GaAs metasurfaces, utilizing quasi-bound states in the continuum (qBIC) resonances to enhance biphoton generation. Through comprehensive polarization tomography, we demonstrate that the emitted photons’ polarization directly reflects the qBIC mode’s far-field properties. Furthermore, we show that both the type of qBIC mode and the symmetry of the meta-atoms can be tailored to control each single-photon polarization state, and that the subsequent two-photon polarization states are nearly separable, offering potential applications in the heralded generation of single photons with adjustable polarization. This work provides a significant step toward utilizing metasurfaces to generate quantum light and engineer their polarization, a critical aspect for future quantum technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Coherent Spins in van der Waals Semiconductor GeS 2 at Ambient Conditions

Optically active spin defects in van der Waals (vdW) materials have emerged as versatile quantum sensors, enabling applications for a wide range of quantum phenomena in condensed matter systems. Their ease of exfoliation and compatibility with device integration make them promising candidates for future quantum technologies. Here we report the observation and room-temperature coherent control of ensemble spin defects in the high-temperature crystalline phase of germanium disulfide (β-GeS 2 ), a two-dimensional (2D) semiconductor with low nuclear spin density. The defects exhibit spin-1/2 behavior, and their dynamics can be explained by a weakly coupled spin-pair model. We implement dynamical decoupling techniques to extend the coherence time (T 2 ) by a factor of 20. Finally, we use density functional theory (DFT) calculations to estimate the structures and spin densities of two possible spin defect candidates. This work will help to expand the field of quantum sensing with spin defects in 2D materials.

2D materials↗

Solution-Processed Ultrafast, Room-Temperature Single-Photon Source at 1550 nm

Single photons are cornerstones of quantum technologies. The need for an ultrafast, bright, and stable photon source emitting in the telecom-band at ∼1550 nm, ideally operating at room temperature, has resulted in a decades-long quest. However, to date, telecom sources are hampered by inherently long radiative lifetimes that severely limit brightness and speed, material instability, or the need for cryogenic operation. Here, in this study, stable colloidal PbS/CdS quantum dots emitting at 1550 nm (C-band) or 1350 nm (O-band) are embedded in a solution-synthesized nanoparticle-on-mirror cavity. Single cavity-coupled quantum dots experience extreme Purcell factors up to 10,700, resulting in ultrafast emission lifetimes of 65 ps, along with near-complete blinking suppression. As a result, 12 million single photons are emitted per second affording a single photon source at 1550 nm that is more than two orders of magnitude brighter than previously possible at room-temperature. These telecom-band single photon sources are solution-processable and lithography-free and may leverage mature colloidal fabrication technologies for future quantum applications.

36 MATERIALS SCIENCE↗

Evolution of Mass Spectrometers for High m / z Biological Ion Formation, Transmission, Analysis and Detection: A Personal Perspective

Mass spectrometry (MS) has become an essential tool in virtually all academic, pharmaceutical, and biopharmaceutical analytical laboratories. The specialized and bespoke area of MS research and application of high m / z ion (> m / z 6000 and high mass, >150 kDa) formation, transmission, analysis, and detection is a relatively new area of focus for MS that has seen dramatic acceleration in interest over the last two decades. Herein we delve into this exciting aspect of MS, discussing how MS instrumentation has been refined and evolved for native-MS analysis. We cover the early groundbreaking experiments showing high m / z ion formation, transmission, and preservation of protein structure in the gas phase. Additionally, we discuss specific instrument optimizations and modifications that have advanced high m / z ion generation, transmission, analysis, and detection, contributing to the research area known as gas-phase structural biology. Native-MS sample introduction methods, emerging technologies, and future perspectives are also examined. Finally, we share personal opinions, observations, and experiences that are new to the community or previously unpublished.

collisions↗

Tunneling current-controlled spin states in few-layer van der Waals magnets

Abstract Effective control of magnetic phases in two-dimensional magnets would constitute crucial progress in spintronics, holding great potential for future computing technologies. Here, we report a new approach of leveraging tunneling current as a tool for controlling spin states in CrI 3 . We reveal that a tunneling current can deterministically switch between spin-parallel and spin-antiparallel states in few-layer CrI 3 , depending on the polarity and amplitude of the current. We propose a mechanism involving nonequilibrium spin accumulation in the graphene electrodes in contact with the CrI 3 layers. We further demonstrate tunneling current-tunable stochastic switching between multiple spin states of the CrI 3 tunnel devices, which goes beyond conventional bi-stable stochastic magnetic tunnel junctions and has not been documented in two-dimensional magnets. Our findings not only address the existing knowledge gap concerning the influence of tunneling currents in controlling the magnetism in two-dimensional magnets, but also unlock possibilities for energy-efficient probabilistic and neuromorphic computing.

Science & Technology - Other Topics↗

Light-Induced Reorientation Transition in an Antiferromagnetic Semiconductor

Because of the lack of a net magnetic moment, antiferromagnets possess a unique robustness to external magnetic fields and are thus predicted to play an important role in future magnetic technologies. However, this robustness also makes them quite difficult to control, and the development of novel methods to manipulate these systems with external stimuli is a fundamental goal of antiferromagnetic spintronics. In this work, we report evidence for a metastable reorientation of the order parameter in an antiferromagnetic semiconductor triggered by an ultrafast quench of the equilibrium order via photoexcitation above the band gap. The metastable state forms less than 10 ps after the excitation pulse, and persists for longer than 150 ps before decaying to the ground state via thermal fluctuations. Importantly, this transition cannot be induced thermodynamically, and requires the system to be driven out of equilibrium. Broadly speaking, this phenomenology is ultimately the result of large magnetoelastic coupling in combination with a relatively low symmetry of the magnetic ground state. Since neither of these properties are particularly uncommon in magnetic materials, the observations presented here imply a generic path toward novel device technology enabled by ultrafast dynamics in antiferromagnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Persistent Current Simulation for CCT Testing Magnet Used in EIC

The Electron-Ion Collider (EIC), a powerful new facility to be built in the United States at the U.S. Department of Energy's Brookhaven National Laboratory in collaboration with Thomas Jefferson National Accelerator Facility, will explore the most fundamental building blocks of nearly all visible matter. Here, there are many different types of superconducting magnets near the interaction region (IR) of EIC. Due to space constraints and special lattice requirements, Tapered CCT (canted-cosine theta) magnets have been used for EIC. At beam injection, the magnetic field is only ~5.5% of the maximum operating field. Considerable field errors will be generated from persistent current in superconducting strands even using very fine filament for those superconductors. A tapered CCT demonstrator magnet has been built and tested successfully at BNL since July 2020 to evaluate the key technologies for future tapered CCT magnets. In October 2023, BNL team also measured the persistent current in this demonstrator magnet. To validate the persistent current simulation methods for CCT magnets in EIC, this paper used a full 3D Opera Model and measured magnetization data from superconducting strand for the simulation. Simulation results showed reasonable agreement with recent measurement results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Through the lens of bioenergy crops: advances, bottlenecks, and promises of plant engineering

Advances in engineering of bioenergy crops were driven over the past years by adapting technological breakthroughs and accelerating conventional applications but also exposed intriguing challenges. New tools revealed rich interconnectivity in the exponentially growing and dynamic 'big' omics data' of metabolomes, transcriptomes, and genomes at previously inaccessible magnitude (global, cross-species, meta-) and resolution (single cell). Insights enabled fresh hypotheses and stimulated disciplines such as functional genomics with discovery of broad regulatory networks and their determinants, that is, DNA parts, including promoters, regulatory elements, and transcription factors. Their rational design, assembly into increasingly complex blueprints, and installation into diverse chassis is an existing frontier that may benefit from emerging technologies to address bottlenecks. Interweaving nature-inspired to fully synthetic parts has already allowed building of fine-tuned regulatory circuits, or new-to-nature metabolic routes insulated from the biological context of the chassis species. Similarly, developments and the evolving need for unifying principles in plant transformation and species-agnostic technologies highlight future opportunities for engineering the next generation of bioenergy plants.

60 APPLIED LIFE SCIENCES↗

Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms

Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum many-body GW methods are state-of-the-art for treating electronic excited states and couplings but often hindered due to the costly numerical complexity. Here, we present innovative implementations of advanced GW methods within the BerkeleyGW package, enabling large-scale simulations on Frontier and Aurora exascale platforms. Our approach demonstrates exceptional versatility for complex heterogeneous systems with up to 17,574 atoms, along with achieving true performance portability across GPU architectures. We demonstrate excellent strong and weak scaling to thousands of nodes, reaching double-precision core-kernel performance of 1.069 ExaFLOP/s on Frontier (9,408 nodes) and 707.52 PetaFLOP/s on Aurora (9,600 nodes), corresponding to 59.45% and 48.79% of peak, respectively. Our work demonstrates a breakthrough in utilizing exascale computing for quantum materials simulations, delivering unprecedented predictive capabilities for rational designs of future quantum technologies.

Zhang, Benran [University of Southern California, ↗

On-chip terahertz emission from Floquet-Bloch states [Invited]

Floquet engineering uses time-periodic electromagnetic fields to modify the electronic properties of quantum materials via the creation of Floquet-Bloch states. These photon-dressed states inherit features from both the material and the driving field, enabling the exploration and control of quantum phenomena in light-matter hybrid systems. In non-centrosymmetric materials, shift currents can arise from the quantum geometric properties of electronic wavefunctions. However, shift currents from Floquet-Bloch states remain experimentally unexplored. Here, we employ an on-chip optoelectronic circuit to detect intrinsic terahertz emission from Floquet-Bloch states in T d -WTe 2 under intense optical driving. We observe strong edge-localized terahertz emission that scales linearly with the driving field, consistent with the theoretical prediction for shift currents generated by Floquet-Bloch states. The results advance our understanding of strongly driven quantum materials and provide insights for developing efficient, bias-free terahertz sources for future optoelectronic technologies.

Li, Xinyu [Max Planck Institute for the Structure ↗

Nanoindentation’s imprint on an advanced society: Toward application conditions at the extremes

Abstract As society strives for a more sustainable future, key technologies depend on advanced materials development. Nanoindentation enables highly localized nanoscale measurement of mechanical properties, crucial for optimizing the performance of functional materials. Coupled with chemical charging, variable temperatures, or high deformation speeds, it offers insights into pressing materials science challenges necessary for sustainable energy transitions. This article explores the role of nanoindentation in advancing vital next-generation technologies. Graphical abstract

36 MATERIALS SCIENCE↗

Analog Signal Multiplexing System for the Iota Proton Injector

The Fermilab Accelerator Science and Technology (FAST) Facility at FNAL is a dedicated research and development center focused on advancing particle accelerator technologies for future applications worldwide. Currently, a key objective of FAST Operations is to commission the 2.5 MeV IOTA Proton Injector (IPI) and enable proton injection into the Integrable Optics Test Accelerator (IOTA) storage ring. The low and medium-energy sections of the IPI include four frame-style dipole trims and two multi-function correctors with independently controlled coils, requiring readout of 32 analog channels for current and voltage monitoring in total. To reduce cost and optimize rack space within the PLC-based control system, a 32-to-4 analog signal multiplexing system was designed and implemented. This system enables real-time readback of excitation parameters from all magnetic correctors. This paper presents the design, construction, implementation, and performance of the multiplexing system.

MacLean, Daniel R. [Fermilab] (ORCID:0000000210103↗