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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Coherent control of strongly interacting spins in the solid-state

The major goal of this project is to develop coherent interacting spin systems in the solid state, based on rare earth ions. By leveraging the ability to controllably incorporate rare earth ions such as Er into a solid-state host, and maintain individual-ion addressability below the diffraction limit based on inhomogeneous broadening, we aim to create strongly interacting electron spin clusters with individual-site control. Performing spectroscopy of these strongly interacting systems will shed light on their fundamental properties, as well as enable applications to quantum information science, in particular quantum networks that are also enabled by a telecom-band spin-photon interface in Er.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Resolving femtosecond photoinduced energy flow: capture of nonadiabatic reaction pathway topography and wavepacket dynamics from photoexcitation through the conical intersection seam (Final Technical Report)

The dynamics that take place within just tens to hundreds of femtoseconds following the absorption of light by a molecule can play a critical role in how the absorbed energy is directed, allowing it to be used for a specific function or dissipated harmlessly. The form of chemical change that occurs rapidly in these molecules is called a “nonadiabatic electronic transition.” Such transitions are known to mediate energy flow in natural biological systems such as the ultraviolet photoprotection mechanism of DNA and the first step of the human vision response. Understanding how these mechanisms work precisely may help scientists achieve controlled manipulation of solar energy or optical control of a wide range of energy management functions in artificial systems. Experimental methods, however, have not yet allowed a precisely resolved and complete measurement of nonadiabatic electronic transitions. This constitutes a major obstacle to progress in the field. For progress to occur that would inform a wide body of research aiming to efficiently harness the energy of light for practical purposes, it is especially important to benchmark computational models of the molecules undergoing these rapid changes with experimental measurements, in order to learn which models are accurate. With Dept. of Energy funding, we have made strong progress towards establishing a new optical method for experimentally detecting the full nonadiabatic electronic transition. This requires having coordinated pulses of light covering the visible through the mid-infrared range of the electromagnetic spectrum that last only ten femtoseconds. We have developed a new, relatively simple approach for generating such pulses of laser light, and have incorporated them into a time-resolved spectrometer for measuring rapid changes in molecules. These tools can provide the greater precision and new types of data that are needed to benchmark computational models of molecular change and thus to make progress in the field. Our tools were tested on graphene, an excellent solid-state sample for verifying the capabilities and limitations of our instrumentation. The investment made in these tools by the Dept. of Energy Office of Science will allow new fundamental scientific understanding of energy dynamics in molecules in future studies.

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

sPHENIX heavy flavor jet tagging studies in p+p at $\sqrt{s_{NN}}=200~GeV$

Heavy-flavor jets, which are initiated from heavy quarks, are ideal probes for studying flavor dependent parton energy loss. We report on the performance of jet flavor tagging using two Neural Network Machine Learning (ML) models: the Long Short-Term Memory (LSTM) model and an Attention-based Neural Network, in simulations of 200 GeV p + p collisions. The tagging performance of bottom quark initiated jets with both ML models surpasses that of the traditional cut-based method. Technical details, including sample and kinematic variable selections, the machine learning training and testing setup with parameter tuning, and outcome comparisons, will be discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Parametric Analysis of Holdup in HEPA Filters

This technical document (TECH) contains an analysis of several conditions deemed credible for plutonium oxide buildup in high-efficiency air particulate (HEPA) filters to determine the effect of holdup inside the filter on reactivity. This document is performed in accordance with NCS-AP-005, R3 [Ref. (1)].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Integrative computational investigation of the spectroscopy, dynamics, and controlling of molecular excitons in complex environments (Final Technical Report)

The major goal of this research project was to advance theoretical and computational capability to describe the dynamics and the spectroscopy of molecular excitons as reliably and efficiently as possible. Outcomes of the project contributed to new understanding of the interaction between light and molecular materials and ensuing dynamics of excited electronic states. These can assist experimentalists in developing novel methods to utilize quantum properties of molecules and molecular excitons for new energy harvesting and quantum information processing.

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

Conference Support for CU*IP at UCONN

This award supported six students to attend the national Conference for Undergraduate Women and Gender Minorities in Physics (CU*IP) held at the University of Connecticut on January 24-26, 2025. The CU*IP conference series provides opportunities for under-represented undergraduate students to obtain real conference experience, hear from role models in the field of physics, and to network with their peers. The funds will support travel, lodging, and meal expenses for students otherwise not able to attend the meeting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Potential Applications of Quantum Computing at Los Alamos National Laboratory, v0.3.0

Since the scientific revolution in the 16th and 17th centuries, the process of scientific discovery has followed an iterative feedback process of observation, hypothesis development and testing with physical experiments, which is widely referred to as the scientific method. This process remained largely unchanged until the middle of the 20th century, when the emergence of digital computers empowered scientist to build and inspect detailed simulations of physical phenomena. Over the last century, computational tools have transformed modern approaches to scientific discovery by enabling fast and affordable hypothesis testing before physical experiments are conducted, shown in Figure 1-1. Some notable examples include: global climate forecasts to understand how the environment may change over decades [130]; modeling the behavior of plasma to design fusion reactors [59]; and understanding the behavior of molecules in biological processes [161, 223].

36 MATERIALS SCIENCE↗
DOE OSTI2023

Exclusive $|V_{ub}|$ determinations using Padé Approximants

We determine the CKM parameter |V ub | from the exclusive semileptonic decays B→πℓν ℓ and B s →Kℓν ℓ , employing Lattice QCD theoretical information on the form factors in combination with experimental measurements of the differential branching ratio distributions. Using Pad\'{e} approximants to the participating form factors we obtain |V ub |=3.86(11)x10 -3 and |V ub |=3.58(9)x10 -3 from the analyses of the individual decay channels, respectively, and |V ub |=3.68(5)x10 -3 from a simultaneous analysis of both decays. Our results highlight the importance of the decay B s →Kμν μ in complementing the traditional B→πℓν ℓ one in the exclusive determination of |V ub | , and strengthens the case for precise measurements of the differential B s →Kℓν ℓ decay rate with a finer resolution of the q 2 bins, as it would definitely allow achieving more conclusive results for |V ub | .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Efficiency Studies of Fast Neutron Tracking Using MCNP

Fast neutron identification and spectroscopy is of great interest to nuclear physics experiments. Using the neutron elastic scattering, the fast neutron momentum can be measured. Wang and Morris introduced the theoretical concept that the initial fast neutron momentum can be derived from up to three consecutive elastic collisions between the neutron and the target, including the information of two consecutive recoil ion tracks and the vertex position of the third collision or two consecutive elastic collisions with the timing information. Here, we also include the additional possibility of measuring the deposited energies from the recoil ions. In this paper, we simulate the neutron elastic scattering using the Monte Carlo N-Particle Transport Code (MCNP) and study the corresponding neutron detection and tracking efficiency. The corresponding efficiency and the scattering distances are simulated with different target materials, especially natural silicon (92.23%28Si, 4.67%29Si, and 3.1%30Si) and helium-4 (4He). The timing of collision and the recoil ion energy are also investigated, which are important characters for the detector design. We also calculate the ion traveling range for different energies using the software, “The Stopping and Range of Ions in Matter (SRIM)”, showing that the ion track can be most conveniently observed in 4He unless sub-micron spatial resolution can be obtained in silicon.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Functionalized Hydroperoxide Formation from the Reaction of Methacrolein-Oxide, an Isoprene-Derived Criegee Intermediate, with Formic Acid: Experiment and Theory

Methacrolein oxide (MACR-oxide) is a four-carbon, resonance-stabilized Criegee intermediate produced from isoprene ozonolysis, yet its reactivity is not well understood. This study identifies the functionalized hydroperoxide species, 1-hydroperoxy-2-methylallyl formate (HPMAF), generated from the reaction of MACR-oxide with formic acid using multiplexed photoionization mass spectrometry (MPIMS, 298 K = 25 °C, 10 torr = 13.3 hPa). Electronic structure calculations indicate the reaction proceeds via an energetically favorable 1,4-addition mechanism. The formation of HPMAF is observed by the rapid appearance of a fragment ion at m/z 99, consistent with the proposed mechanism and characteristic loss of HO2 upon photoionization of functional hydroperoxides. The identification of HPMAF is confirmed by comparison of the appearance energy of the fragment ion with theoretical predictions of its photoionization threshold. The results are compared to analogous studies on the reaction of formic acid with methyl vinyl ketone oxide (MVK-oxide), the other four-carbon Criegee intermediate in isoprene ozonolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Time-resolved Rotational Velocities in the Upper Atmosphere of WASP-33 b

While steady empirical progress has been made in understanding the structure and composition of hot-planet atmospheres, direct measurements of velocity signatures, including winds, rotation, and jets, have lagged behind. Quantifying atmospheric dynamics of hot planets is critical for a complete understanding of their atmospheres, and such measurements may even illuminate other planetary properties, such as magnetic field strengths. In this manuscript we present the first detection of the Balmer lines Hα and Hβ in the atmosphere of the ultra-hot Jupiter WASP-33 b. Using atmospheric models that include the effects of atmospheric dynamics, we show that the shape of the average Balmer line transmission spectrum is consistent with rotational velocities in the planet’s thermosphere of v{sub rot}=10.1{sub −1.0}{sup +0.8} km s{sup −1}. We also measure a low-significance day- to nightside velocity shift of −4.6{sub −3.4}{sup +3.4} km s{sup −1} in the transmission spectrum, which is naturally explained by a global wind across the planet’s terminator. In a separate analysis the time-resolved velocity centroids of individual transmission spectra show unambiguous evidence of rotation, with a best-fit velocity of 10.0{sub −2.0}{sup +2.4} km s{sup −1}, consistent with the value of v {sub rot} derived from the shape of the average Balmer line transmission spectrum. Our observations and analysis confirm the power of time-resolved transmission spectra with a high signal-to-noise ratio to measure the velocity structures in exoplanet atmospheres. The high rotational and wind velocities we measure highlight the need for more detailed 3D global climate simulations of the rarefied upper atmospheres of ultra-hot gas giants.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗