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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ultrafast population and structural dynamics of a Ni-bipyridine photoredox catalyst reveal a significant deactivation pathway

The ultrafast excited state pathways and dynamics of NiII-bipyridine complexes influence the yield of photochemical processes involved in their catalytic cross-coupling reactions. Here we present ultrafast Ni K x-ray emission spectroscopy (XES) and x-ray solution scattering (XSS) of a NiII-bipyridine aryl halide complex, [Ni(t-Bubpy)(o-tol)Br], to quantify the excited state population dynamics and structural changes of the pre-catalyst. Due to the local spin-sensitivity of XES, the population dynamics of metal-to-ligand charge transfer (MLCT) and metal-centered (MC) excited states is established. A rapid ground state recovery pathway is newly identified, representing a significant deactivation pathway during photocatalysis. Furthermore, the pseudotetrahedral structure of the long-lived MC excited state is unambiguously identified and refined by XSS. The results advance our understanding of the ultrafast relaxation mechanisms that impact the photocatalytic mechanism and yield for NiII-bipyridine aryl halide cross-coupling catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

A Lagrangian theory of the classical spinning electron

A Lagrangian is defined that governs the dynamics of a classical electron with spin, moving under the influence of electromagnetic forces. The Euler-Lagrange equations associated with this Lagrangian for space-time position x exp-alpha provide a generalization of the Lorentz force law. The remaining Euler-Lagrange equations lead directly to the (generalized) Frenkel (1926)-Thomas (1927)-BMT (1959) equations.

Nash, P. L.↗
DOE OSTI2026

Rapid Quantum Ground State Preparation via Dissipative Dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

decoherence↗
NASA NTRS1961

A Theoretical Study of the Angular Motions of Spinning Bodies in Space

Euler's dynamic equations were linearized and solved analytically. Analytical expressions which relate angular motions to spin-rate and inertia distributions were obtained and found to be in good agreement with machine solutions of the nonlinear equations for the case of a rectangular-pulse pitching-moment disturbance. Consideration was given to the effects produced by having artificial damping in the system.

Suddath, Jerrold H.↗
DOE OSTI2025

Selected magnetoelectrical phonon stiffening in Cr 2 ⁢O 3

A thorough understanding of lattice dynamics, particularly how they couple with spin through spin-phonon interactions, is crucial for pioneering new spin-caloritronic applications. Here, despite extensive studies on Cr 2 ⁢O 3 , the origin of nonlinear thermal expansions and the unusual stiffening of optical phonon modes is still elusive. Through inelastic neutron scattering and atomistic calculations, we found that these behaviors can be attributed to the renormalization of electron states owing to the magnetic transition, and we ruled out the effects from thermal expansion, phonon anharmonicity, magnetostriction, or electron-phonon interactions. Importantly, our quantitative modeling suggests that the common belief that dynamic spin-phonon interactions are the origin of anomalous phonon energy stiffening in magnetic compounds does not apply in Cr 2 ⁢O 3 .

DFT+U↗
NASA NTRS1972

Cable Connected Spinning Spacecraft, 1. the Canonical Equations, 2. Urban Mass Transportation, 3

Work on the dynamics of cable-connected spinning spacecraft was completed by formulating the equations of motion by both the canonical equations and Lagrange's equations and programming them for numerical solution on a digital computer. These energy-based formulations will permit future addition of the effect of cable mass. Comparative runs indicate that the canonical formulation requires less computer time. Available literature on urban mass transportation was surveyed. Areas of the private rapid transit concept of urban transportation are also studied.

Sitchin, A.↗
NASA NTRS1991

Mid- and high-latitude total ozone observations from over three earth radii measured from Dynamics Explorer I

Column ozone measurements obtained from a Spin-scan Ozone Imager (SOI) aboard the Dynamics Explorer I (DE-I) satellite are discussed. The orbital geometry has many features similar to the Molniya satellite orbits. The ozone imagery obtained from DE-I are unique in being synoptic views of a region of continental scale for a period of a few hours. A brief description of the instrument, data, and orbit is followed by a discussion of some applications of DE-I data and the potential usefulness of an ozone imager aboard a satellite in a Molniya-type orbit.

Reynolds, Nathaniel D.↗
NASA NTRS1975

Spacecraft detumbling using movable telescoping appendages

The dynamics of detumbling a randomly spinning spacecraft using externally mounted, movable telescoping appendages were studied both analytically and numerically. Two types of telescoping appendages are considered: where an end mass is mounted at the end of an (assumed) massless boom; and where the appendage is assumed to consist of a uniformly distributed homogeneous mass throughout its length. From an application of Liapunov's second method, boom extension maneuvers were determined to approach either of two desired final states: close to a zero inertial angular velocity state, and a final spin rate about only one of the principal axes. Recovery dynamics are evaluated analytically for the case of symmetrical deployment. Numerical examination of other asymmetrical cases verifies the practicality of using movable appendages to recover a randomly tumbling spacecraft.

Bainum, P. M.↗
NASA NTRS1975

Spacecraft detumbling using movable telescoping appendages

The dynamics of detumbling a randomly spinning spacecraft using externally mounted, movable telescoping appendages are studied both analytically and numerically. Two types of telescoping appendages are considered: (1) where an end mass is mounted at the end of an (assumed) massless boom; and (2) where the appendage is assumed to consist of a uniformly distributed homogeneous mass throughout its length. From an application of Liapunov's second method boom extension maneuvers can be determined to approach either of two desired final states: close to a zero inertial angular velocity state, and a final spin rate about only one of the principal axes. Recovery dynamics are evaluated analytically for the case of symmetrical deployment. Numerical examination of other asymmetrical cases verifies the practicality of using movable appendages to recover a randomly tumbling spacecraft.

Bainum, P. M.↗
DOE OSTI2025

Interacting spin and charge density waves in the kagome metal FeGe

Unveiling the interplay between spin density wave (SDW) and charge density wave (CDW) orders in correlated electron materials is important in obtaining a comprehensive understanding of their electronic, structural, and magnetic properties. Kagome lattice materials are interesting because their flat electronic bands, Dirac points, and Van Hove singularities can enable a variety of exotic electronic and magnetic phenomena. The kagome metal FeGe (the B35 phase), which exhibits a CDW order deep within an A-type antiferromagnetic (AFM) phase, was found to respond dramatically to postgrowth annealing—with the ability to tune the CDW repeatedly from long-range order to negligible order. Additionally, neutron scattering studies suggest that incommensurate magnetic peaks that onset at 𝑇 Canting = 𝑇 SDW ≈ 60 K in the system arise from a SDW order instead of the AFM double-cone structure. Here, in this study, we use inelastic neutron scattering to show that two distinct spin excitations exist below 𝑇 Canting corresponding to two coexisting magnetic orders in the system in both sets of annealed samples with and without CDW. While CDW order or negligible order can dramatically affect the onset temperature of 𝑇 Canting and elastic incommensurate magnetic scattering, its impact on low-energy spin fluctuations is more limited. In both samples, a pair of gapless incommensurate spin excitations arising from the SDW order wave vector coexist with gapped commensurate spin waves from the A-type AFM order across 𝑇 Canting . The low-energy spin excitations for both samples couple dynamically to the lattice through enhanced magnetic scattering intensity on cooling below 𝑇 CDW , regardless of the status of the static long-range CDW order. The incommensurate SDW order in the long-range CDW ordered sample also induces a tiny in-plane lattice distortion of the kagome lattice that is absent in the negligible CDW ordered sample, in a way that is different from the previously known SDW and CDW ordering materials.

charge density waves↗
NASA NTRS1981

Theory of satellite orbit-orbit resonance

On the basis of the strong mathematical and physical parallels between orbit-orbit and spin-orbit resonances, the dynamics of mutual orbit perturbations between two satellites about a massive planet are examined, exploiting an approach previously adopted in the study of spin-orbit coupling. Resonances are found to exist when the mean orbital periods are commensurable with respect to some rotating axis, which condition also involves the apsidal and nodal motions of both satellites. In any resonant state the satellites are effectively trapped in separate potential wells, and a single variable is found to describe the simultaneous librations of both satellites. The librations in longitude are 180 deg out-of-phase, with fixed amplitude ratio that depends only on their relative masses and semimajor axes. The theory is applicable to Saturn's resonant pairs Titan-Hyperion and Mimas-Tethys, and in these cases the calculated libration periods are in reasonably good agreement with the observed periods.

Blitzer, L.↗
DOE OSTI2025

Machine learning force field model for kinetic Monte Carlo simulations of itinerant Ising magnets

Here, we present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by conducting electrons, the calculation of energy change due to a local spin update requires solving an electronic structure problem. Such repeated electronic structure calculations could be overwhelmingly prohibitive for large systems. Assuming the locality principle, a convolutional neural network (CNN) model is developed to directly predict the effective local field and the corresponding energy change associated with a given spin update based on Ising configuration in a finite neighborhood. As the kernel size of the CNN is fixed at a constant, the model can be directly scalable to kMC simulations of large lattices. Our approach is reminiscent of the ML force field models widely used in first-principles molecular dynamics simulations. Applying our ML framework to a square-lattice double-exchange Ising model, we uncover unusual coarsening of ferromagnetic domains at low temperatures. Our work highlights the potential of ML methods for large-scale modeling of similar itinerant systems with discrete dynamical variables.

machine learning↗
NASA NTRS1985

Inconsistency of topologically massive hypergravity

The coupled topologically massive spin-5/2 gravity system in D = 3 dimensions whose kinematics represents dynamical propagating gauge invariant massive spin-5/2 and spin-2 excitations, is shown to be inconsistent, or equivalently, not locally hypersymmetric. In contrast to D = 4, the local constraints on the system arising from failure of the fermionic Bianchi identities do not involve the 'highest spin' components of the field, but rather the auxiliary spinor required to construct a consistent massive model.

Aragone, C.↗
NASA NTRS2008

Automated Method for Estimating Nutation Time Constant Model Parameters for Spacecraft Spinning on Axis

Calculating an accurate nutation time constant (NTC), or nutation rate of growth, for a spinning upper stage is important for ensuring mission success. Spacecraft nutation, or wobble, is caused by energy dissipation anywhere in the system. Propellant slosh in the spacecraft fuel tanks is the primary source for this dissipation and, if it is in a state of resonance, the NTC can become short enough to violate mission constraints. The Spinning Slosh Test Rig (SSTR) is a forced-motion spin table where fluid dynamic effects in full-scale fuel tanks can be tested in order to obtain key parameters used to calculate the NTC. We accomplish this by independently varying nutation frequency versus the spin rate and measuring force and torque responses on the tank. This method was used to predict parameters for the Genesis, Contour, and Stereo missions, whose tanks were mounted outboard from the spin axis. These parameters are incorporated into a mathematical model that uses mechanical analogs, such as pendulums and rotors, to simulate the force and torque resonances associated with fluid slosh.

Source record↗