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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Pd‐Ru Alloy Nanocages with a Face‐Centered Cubic Structure and Their Enhanced Activity toward the Oxidation of Ethylene Glycol and Glycerol

Abstract This article reports a facile method for the synthesis of Pd‐Ru nanocages by activating the galvanic replacement reaction between Pd nanocrystals and a Ru(III) precursor with I ‐ ions. The as‐synthesized nanocages feature a hollow interior, ultrathin wall of ≈2.5 nm in thickness, and a cubic shape. Our quantitative study suggests that the reduction rate of the Ru(III) precursor can be substantially accelerated upon the introduction of I ‐ ions and then retarded as the ratio of I ‐ /Ru 3+ is increased. The Pd‐Ru nanocages take an alloy structure, with the Ru atoms in the nanocages crystallized in a face‐centered cubic structure instead of the hexagonal close‐packed phase taken by bulk Ru. Using Pd nanocubes with different edge lengths, the dimensions of the nanocages in the range of 6−18 nm can readily be tuned. When tested as catalysts toward the electro‐oxidation of ethylene glycol and glycerol, respectively, the Pd‐Ru cubic nanocages prepared from 18 nm Pd cubes exhibit 5.1‐ and 6.2‐fold enhancements in terms of mass activity relative to the commercial Pd/C. After 1000 cycles of accelerated durability test, the mass activities of the nanocages are still 3.3 and 3.7 times as high as that of the pristine commercial Pd/C catalyst, respectively.

Zhao, Ming↗
DOE OSTI2025

Light dark matter search with nitrogen-vacancy centers in diamonds

We propose an approach to directly search for light dark matter, such as the axion or the dark photon, by using magnetometry with nitrogen-vacancy centers in diamonds. If the dark matter couples to the electron spin, it affects the evolution of the Bloch vectors consisting of the spin triplet states, which may be detected through several magnetometry techniques. We give several concrete examples with the use of dc and ac magnetometry and estimate the sensitivity on dark matter couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Cross section measurements of the $e^+e^–$ → $D^{*+}D^{*–}$ and $e^+e^–$ → $D^{*+}D^{–}$ processes at center-of-mass energies from 4.085 to 4.600 GeV

The Born cross sections of the $e^+e^–$ → $D^{*+}D^{*–}$ and $e^+e^–$ → $D^{*+}D^{–}$ processes are measured using $e^+e^–$ collision data collected with the BESIII experiment at center-of-mass energies from 4.085 to 4.600 GeV, corresponding to an integrated luminosity of 15.7 fb -1 . The results are consistent with and more precise than the previous measurements by the Belle, Babar and CLEO collaborations. The measurements are essential for understanding the nature of vector charmonium and charmonium-like states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Measurement of Born cross section of $$ {e}^{+}{e}^{-}\to {\Sigma}^{+}{\overline{\Sigma}}^{-} $$ at center-of-mass energies between 3.510 and 4.951 GeV

Abstract Using 24.1 fb −1 ofe + e − collision data collected with the BESIII detector at the BEPCII collider, the Born cross sections and effective form factors of the$$ {e}^{+}{e}^{-}\to {\Sigma}^{+}{\overline{\Sigma}}^{-} $$ e + e − → Σ + Σ ¯ − reaction are measured. The measurements are performed at center-of-mass energies ranging from 3.510 to 4.951 GeV. No significant evidence for the decay of the charmonium(-like) states,ψ(3770),ψ(4040),ψ(4160),Y(4230),Y(4360),ψ(4415), andY(4660), into a$$ {\Sigma}^{+}{\overline{\Sigma}}^{-} $$ Σ + Σ ¯ − final state is observed. Consequently, upper limits for the products of the branching fractions and the electronic partial widths at the 90% confidence level are reported for these decays.

Physics↗
DOE OSTI2022

Cross section measurements of the processes $e^+e^–$ → $ωπ^0$ and $ωη$ at center-of-mass energies between 3.773 and 4.701 GeV

The Born cross sections of the processes $e^+e^–$ → $ωπ^0$ and $e^+e^–$ → $ωη$ are measured at center-of-mass energies between 3.773 and 4.701 GeV using a total integrated luminosity of 22.7 fb –1 collected with the BESIII detector operating at the BEPCII collider. A simple $s^{-n}$ dependence for the continuum process can describe the measured Born cross sections. No significant contributions from the ψ(4160), Y(4230), Y(4360), ψ(4415), Y(4660) resonances are found, which indicates relative small branching fractions for these resonances into the $ωπ^0$ and $ωη$ final states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Measurement of the cross sections of $$ {e}^{+}{e}^{-}\to {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ at center-of-mass energies between 3.510 and 4.914 GeV

Abstract Usinge + e − collision data collected with the BESIII detector at the BEPCII collider at center-of-mass energies between 3.510 and 4.914 GeV, corresponding to an integrated luminosity of 25 fb −1 , we measure the Born cross sections for the process$$ {e}^{+}{e}^{-}\to {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ e + e − → K − Ξ ¯ + Λ / Σ 0 at thirty-five energy points with a partial-reconstruction strategy. By fitting the dressed cross sections of$$ {e}^{+}{e}^{-}\to {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ e + e − → K − Ξ ¯ + Λ / Σ 0 , evidence for$$ \psi (4160)\to {K}^{-}{\overline{\Xi}}^{+}\Lambda $$ ψ 4160 → K − Ξ ¯ + Λ is found for the first time with a significance of 4.4σ, including systematic uncertainties. No evidence for other possible resonances is found. In addition, the products of electronic partial width and branching fraction for all assumed resonances decaying into$$ {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ K − Ξ ¯ + Λ / Σ 0 are determined.

Physics↗
DOE OSTI2023

Study of the e + e - → π + π - ω process at center-of-mass energies between 4.0 and 4.6 GeV

Using 15.6 fb -1 of e + e - collision data collected at twenty-four center-of-mass energies from 4.0 to 4.6 GeV with the BESIII detector, the helicity amplitudes of the process e+e- → π+π-ω are analyzed for the first time. Born cross section measurements of two-body intermediate resonance states with statistical significance greater than 5σ are presented, such as f 0 (500), f 0 (980), f 2 (1270), f 0 (1370), b 1 (1235) ± , and ρ(1450) ± . In addition, evidence of a resonance state in e + e - → π + π - ω production is found. The mass of this state obtained by line shape fitting is about 4.2 GeV/c 2 , which is consistent with the production of ψ(4160) or Y(4220).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Towards the construction of multi-centered black holes in AdS

We find a class of approximate perturbative solutions describing multi-centered BPS black holes in asymptotically AdS 4 . These black holes are moving coplanarly in a circular orbit with common radius but fixed phase differences, where the radius is characterized by a common boost velocity v. While the solutions are not complete, as they are only accurate up to O (M 2 v 2 ), we are able to locally investigate their supersymmetric properties in four-dimensional N = 2 supergravity. The result indicates that, while a single BPS black hole preserves half of the supersymmetries, a configuration with two or more black holes is only 1/4 BPS. These perturbative solutions reduce in the asymptotically Minkowski limit to the multi-black hole solution of Majumdar and Papapetrou.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the cross section of $$ {e}^{+}{e}^{-}\to {\Xi}^{-}{\overline{\Xi}}^{+} $$ at center-of-mass energies between 3.510 and 4.843 GeV

Abstract Usinge + e − collision data corresponding to a total integrated luminosity of 12.9 fb −1 collected with the BESIII detector at the BEPCII collider, the exclusive Born cross sections and the effective form factors of the reaction$$ {e}^{+}{e}^{-}\to {\Xi}^{-}{\overline{\Xi}}^{+} $$ e + e − → Ξ − Ξ ¯ + are measured via the single baryon-tag method at 23 center-of-mass energies between 3.510 and 4.843 GeV. Evidence for the decay$$ \psi (3770)\to {\Xi}^{-}{\overline{\Xi}}^{+} $$ ψ 3770 → Ξ − Ξ ¯ + is observed with a significance of 4.5σby analyzing the measured cross sections together with earlier BESIII results. For the other charmonium(-like) statesψ(4040),ψ(4160),Y(4230),Y(4360),ψ(4415), andY(4660), no significant signal of their decay to$$ {\Xi}^{-}{\overline{\Xi}}^{+} $$ Ξ − Ξ ¯ + is found. For these states, upper limits of the products of the branching fraction and the electronic partial width at the 90% confidence level are provided.

Physics↗
DOE OSTI2022

Measurement of the cross section of e + e - → ηπ + π - at center-of-mass energies from 3.872 GeV to 4.700 GeV

Using data samples with an integrated luminosity of 19 fb -1 at twenty-eight center-of-mass energies from 3.872 GeV to 4.700 GeV collected with the BESIII detector at the BEPCII electron-positron collider, the process e + e - → ηπ + π - and the intermediate process e + e - → ηρ 0 are studied for the first time. The Born cross sections are measured. No significant resonance structure is observed in the cross section lineshape.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Tailoring the d-band center on Ru 1 Cu single-atom alloy nanotubes for boosting electrochemical non-enzymatic glucose sensing

The development of cost-effective and highly efficient electrocatalysts is critical to help electrochemical non-enzymatic sensors achieve high performance. Here, in this work, a new class of catalyst, Ru single atoms confined on Cu nanotubes as a single-atom alloy (Ru 1 Cu NTs), with a unique electronic structure and property, was developed to construct a novel electrochemical non-enzymatic glucose sensor for the first time. The Ru 1 Cu NTs with a diameter of about 24.0 nm showed a much lower oxidation potential (0.38 V) and 9.0-fold higher response (66.5 μA) current than Cu nanowires (Cu NWs, oxidation potential 0.47 V and current 7.4 μA) for glucose electrocatalysis. Moreover, as an electrochemical non-enzymatic glucose sensor, Ru1Cu NTs not only exhibited twofold higher sensitivity (54.9 μA mM −1 cm −2 ) and wider linear range (0.5–8 mM) than Cu NWs, but also showed a low detection limit (5.0 μM), excellent selectivity, and great stability. According to theoretical calculation results, the outstanding catalytic and sensing performance of Ru 1 Cu NTs could be ascribed to the upshift of the d-band center that helped promote glucose adsorption. This work presents a new avenue for developing highly active catalysts for electrochemical non-enzymatic sensors.

electrochemistry↗
DOE OSTI2021

Insights into Defect-Mediated Nucleation of the Equilibrium B2 Phase in Face-Centered Cubic High-Entropy Alloys

A fine scale second phase distribution is important for strengthening metallic materials. High precipitate density is often difficult to achieve due to sluggish precipitation kinetics and limited nucleation sites. Based on the CALPHAD predictions, transition element-based complex concentrated alloys (CCAs)/ High Entropy Alloys (HEAs), have a highly stable face-centered cubic (FCC) phase and intermetallic B2 phase. The precipitation of the strengthening B2 phase is often limited to low fractions in these alloys due to a high nucleation barrier in the FCC matrix. Here, by illustrating in three different alloys, we present a defect mediated nucleation of a high fraction equilibrium B2 phase. The degree of cold work is used to manipulate the phase fraction, morphology, and distribution of B2 precipitates. Our approach synergistically improves the strength and ductility of these alloys and is widely applicable to many other complex alloys.

Sharma, Abhishek↗
DOE OSTI2021

Differential sensitivity to oxygen among the bacteriochlorophylls g in the type-I reaction centers of Heliobacterium modesticaldum

The type-I, homodimeric photosynthetic reaction center (RC) of Heliobacteria (HbRC) is the only known RC in which bacteriochlorophyll g (BChl g) is found. It is also simpler than other RCs, having the smallest number of protein subunits and bound chromophores of any type-I RC. In the presence of oxygen, BChl g isomerizes to 8 1 -hydroxychlorophyll aF (Chl a F ). This naturally occurring process provides a way of altering the chlorophylls and studying the efect of these changes on energy and electron transfer. Transient absorbance diference spectroscopy reveals that triplet-state formation occurs in the antenna chlorophylls of HbRCs but does not provide site-specifc information. Herein, we report on an extended optically detected magnetic resonance (ODMR) study of the antenna triplet states in HbRCs with difering levels of conversion of BChl g to Chl a F . The data reveal pools of BChl g molecules with diferent triplet zero-feld splitting parameters and diferent susceptibilities to chemical oxidation. Finally, by relating the detailed spectroscopic characteristics derived from the ODMR data to the recently solved crystallographic structure, we have tentatively identifed BChl g molecules in which the probability of triplet formation is high and sites at which BChl g conversion is more likely, providing useful information about the fate of the excitation in the complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chlorophylls as primary electron acceptors in reaction centers

Photosynthetic Reaction Centers (RCs) can be considered blueprints for highly efficient energy transfer. Embedded with an array of cofactors, including (bacterio)chlorophyll ((B)Chl) and (B)pheophytin ((B)Pheo) molecules, RCs function with a high quantum yield that spans a wide spectral range. Understanding the principles that underlie their function can influence the design of the next generation of artificial photosynthetic devices. We are particularly interested in the factors that influence the early stages of light-driven charge separation in RCs. With the recent publication of several highly anticipated RC structures and advanced computational methods available, it is possible to probe both the geometric and electronic structures of an array of RCs. In this chapter, we review the electronic and geometric structures of the (B)Chl and (B)Pheo primary electron acceptors from fiveRCs, comprising both Type I and Type II RCs and representing both heterodimeric and homodimeric systems. We showcase the dimeric A0•- state of Type I RCs, whereby the unpaired electron is delocalized, to various extents, over two (B)Chl molecules (B)Chl2 and (B)Chl3. This delocalization is controlled by several factors, including the structure of the (B)Chls, interactions with the surrounding protein matrix, and the orientation and distances of the cofactors themselves. In contrast, the primary acceptors of Type II RCs are entirely monomeric, with electron density residing solely on the (B)Pheo. We compare the natural design of the primary acceptors of the Type I and Type II RCs from both an evolutionary and application based perspective.

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

Revolutionizing thermal Management in Next-Generation AI data centers: Challenges and breakthrough innovations

Data centers (DCs) serve as critical infrastructure for powering the growth and evolution of AI. Next-generation AI DCs present unique challenges in thermal management driven by unprecedented computational demands. This paper provides a comprehensive summary of key stakeholder perspectives on technology gaps, infrastructure requirements, test bed needs, emerging opportunities, and preliminary solutions related to thermal management for AI DCs. It establishes six strategic pillars of thermal management for next generation AI DC: reliability, deployability, efficiency, resilience, measurability, and valorization. The discussion spans a range of critical topics, including advanced cooling technologies, thermal strategies for emerging modular and edge DCs, system-level optimization and control frameworks, infrastructure planning and grid integration designs, benchmarking approaches, and pathways for waste heat recovery and reuse. The proposed research, development, and demonstration efforts are aimed at accelerating the deployment of AI DCs while ensuring energy efficiency, reliability, safety, and regulatory compliance.

Wang, Pengtao [ORNL] (ORCID:0000000214713429)↗
DOE OSTI2024

Observations of airflow around a supertall curved building and its impact on temperature and humidity in Houston's urban center

Characterization of realistically shaped skyscrapers embedded in non-uniform neighbourhoods experiencing intricate weather patterns remains inadequately investigated. Aiming to close this gap, the Center for Multiscale Applied Sensing team deployed its mobile observatory in the street canyons around the curved Wells Fargo Plaza skyscraper in downtown Houston, TX. Three deployments allowed airflow observations under different inflow wind and thermodynamic stability conditions. Doppler lidar measurements reveal that when inflow hits the curved wall of the skyscraper, perpendicular canyons experience similar vortex configurations creating two windward and two leeward circulations. Windsond measurements support that buoyancy within the deep street canyons can generate thermal updrafts as strong as 2 m s -1 which is sufficient to overturn the mechanical downwash under gentle wind conditions. Canyons experiencing venting during the daytime were observed to be more thermodynamically stable at night while thermodynamically stable canyons during the day were observed to be more thermodynamically unstable at night owing to the accumulation of heat near street-level. Fourier decomposition of the vertical velocity measurements shows that in all cases flow exhibited high Reynolds numbers and was composed of turbulent eddies of predominantly 6 and 15 min periods. Here, this observational dataset provides insights to assess wind load, pedestrian comfort, urban air mobility, and natural ventilation and may be used as a benchmark for numerical model and wind tunnel studies attempting to represent realistically complex urban conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions

We present an implementation of all-electron density-functional theory for massively parallel GPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain decomposition of the problem on non-uniform grids, which enables compute- and memory-parallel execution across thousands of nodes for real-space operations, e.g. the update of the electron density, the integration of the real-space Hamiltonian matrix, and calculation of Pulay forces. To assess the performance of our GPU implementation, we performed benchmarks on three different architectures using a 103-material test set. We find that operations which rely on dense serial linear algebra show dramatic speedups from GPU acceleration: in particular, SCF iterations including force and stress calculations exhibit speedups ranging from 4.5 to 6.6. For the architectures and problem types investigated here, this translates to an expected overall speedup between 3–4 for the entire calculation (including non-GPU accelerated parts), for problems featuring several tens to hundreds of atoms. Additional calculations for a 375-atom Bi2Se3 bilayer show that the present GPU strategy scales for large-scale distributed-parallel simulations.

42 ENGINEERING↗
DOE OSTI2026

Holistic energy analysis method for thermal management architectures of data centers

Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗