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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards the understanding of the genuine three-body interaction for p–p–p and p–p–Λ

Three-body nuclear forces play an important role in the structure of nuclei and hypernuclei and are also incorporated in models to describe the dynamics of dense baryonic matter, such as in neutron stars. So far, only indirect measurements anchored to the binding energies of nuclei can be used to constrain the three-nucleon force, and if hyperons are considered, the scarce data on hypernuclei impose only weak constraints on the three-body forces. In this work, we present the first direct measurement of the p–p–p and p–p–Λ systems in terms of three-particle correlation functions carried out for pp collisions at $\sqrt{s}$=13 TeV. Three-particle cumulants are extracted from the correlation functions by applying the Kubo formalism, where the three-particle interaction contribution to these correlations can be isolated after subtracting the known two-body interaction terms. A negative cumulant is found for the p–p–p system, hinting to the presence of a residual three-body effect while for p–p–Λ the cumulant is consistent with zero. This measurement demonstrates the accessibility of three-baryon correlations at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Evidence for quark-matter cores in massive neutron stars

The theory governing the strong nuclear force—quantum chromodynamics—predicts that at sufficiently high energy densities, hadronic nuclear matter undergoes a deconfinement transition to a new phase of quarks and gluons. Although this has been observed in ultrarelativistic heavy-ion collisions, it is currently an open question whether quark matter exists inside neutron stars. By combining astrophysical observations and theoretical ab initio calculations in a model-independent way, we find that the inferred properties of matter in the cores of neutron stars with mass corresponding to 1.4 solar masses (M ⊙ ) are compatible with nuclear model calculations. However, the matter in the interior of maximally massive stable neutron stars exhibits characteristics of the deconfined phase, which we interpret as evidence for the presence of quark-matter cores. For the heaviest reliably observed neutron stars with mass M ≈ 2M ⊙ , the presence of quark matter is found to be linked to the behaviour of the speed of sound cs in strongly interacting matter. If the conformal bound ${c}_{\rm{s}}^{2}\le 1/3$ is not strongly violated, massive neutron stars are predicted to have sizable quark-matter cores. This finding has important implications for the phenomenology of neutron stars and affects the dynamics of neutron star mergers with at least one sufficiently massive participant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Uncertainty analysis for VERA problem 2 using the cell-code Condor v2.8.05

Condor is a cell-level neutronic calculation code that applies multi-group collision probabilities with heterogeneous response coupling method within generic geometry configurations. Under the Condor's code continuous development, the incorporation of up-to-date methodologies and state-of-the-art practices in reactor analysis represents a driving force. In this work, the capabilities of Condor v2.8.05 to develop an uncertainty analysis for realistic PWR-kind fuel assemblies are studied. The Total Monte Carlo approach is applied to quantify the impact of fabrication tolerances in the code's results for reactivity and power distributions, by means of randomly sampled input values using the VERA problem 2 as basis. The VERA problem 2 proposes a series of Westinghouse 2D 17 x 17-type fuel lattices, to be calculated reflected at beginning-of-life without Xe. The configurations correspond to a modern PWR. Selected neutronic parameters from Condor runs are thus analyzed in terms of the observed spread as well as the obtained distributions for the randomly perturbed cases, showing the capability of the code to handle the required input data, as well as its ability to provide valuable insights regarding uncertainty quantification.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

EIC'S HSR Rotator and Snake Configuration at IP6

The Electron-Ion Collider’s Hadron Storage Ring (HSR) will use a pair of spin rotators to achieve longitudinal polarization at IP6. Additionally there are to be six snakes located at azimuthal angles of 60 degrees from each other. Due to space constraints in the whole lattice, in order to achieve a 60 degree separation between the snakes, we are forced to place a snake near IP6 where the rotator normally would be. We explore if a powering scheme exists which would recover a longitudinal polarization at IP6 and the same spin rotation of a normal orthogonal snake at collision energies.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Self-consistent calculations of the electric charge, ion drag force, and the drift velocity of spherical grains using Langevin dynamics and comparisons against canonical experiments

We present trajectory simulation-based modeling to capture the interactions between ions and charged grains in dusty or complex plasmas. Our study is motivated by the need for a self-consistent and experimentally validated approach for accurately calculating the ion drag force and grain charge that determine grain collective behavior in plasmas. We implement Langevin dynamics in a computationally efficient predictor–corrector approach to capture multiscale ion and grain dynamics. Predictions of grain velocity, grain charge, and ion drag force are compared with prior measurements to assess our approach. The comparisons reveal excellent agreement to within ±20% between predicted and measured grain velocities [Yaroshenko et al., Phys. Plasmas 12, 093503 (2005) and Khrapak et al., Europhys. Lett. 97, 35001 (2012)] for 0.64, 1.25 μm grains at ∼20−500 Pa. Comparisons with the measured grain charge [Khrapak et al., Phys. Rev. E 72, 016406 (2005)] under similar conditions reveal agreement to within ∼20% as well. Measurements of the ion drag force [Hirt et al., Phys. Plasmas 11, 5690 (2004); IEEE Trans. Plasma Sci. 32, 582 (2004)] are used to assess the viability of the presented approach to calculate the ion drag force experienced by grains exposed to ion beams of well-defined energy. Excellent agreement between calculations and measurements is obtained for beam energies >10 eV, and the overprediction below 10 eV is attributed to the neglect of charge exchange collisions in our modeling. Along with critical assessments of our approach, suggestions for future experimental design to probe charging of and momentum transfer onto grains that capture the effect of space charge concentration and external fields are outlined.

Physics↗
DOE OSTI2020

Horizon radiation reaction forces

Using Effective Field Theory (EFT) methods, we compute the effects of horizon dissipation on the gravitational interactions of relativistic binary black hole systems. We assume that the dynamics is perturbative, i.e it admits an expansion in powers of Newton’s constant (post-Minkowskian, or PM, approximation). As applications, we compute corrections to the scattering angle in a black hole collision due to dissipative effects to leading PM order, as well as the post-Newtonian (PN) corrections to the equations of motion of binary black holes in non-relativistic orbits, which represents the leading order finite size effect in the equations of motion. The methods developed here are also applicable to the case of more general compact objects, eg. neutron stars, where the magnitude of the dissipative effects depends on non-gravitational physics (e.g, the equation of state for nuclear matter).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Emergent viscous hydrodynamics from a single quantum particle

We investigate an explicit example of how spatial decoherence can lead to hydrodynamic behavior in the late-time, long-wavelength regime of open quantum systems. We focus on the case of a single nonrelativistic quantum particle linearly coupled to a thermal bath of noninteracting harmonic oscillators at temperature T , a la Caldeira and Leggett. Taking advantage of decoherence in the position representation, we expand the reduced density matrix in powers of the off-diagonal spatial components, so that high-order terms are suppressed at late times. Truncating the resulting power series at second order leads to a set of dissipative transient hydrodynamic equations similar to the nonrelativistic limit of equations widely used in simulations of the quark-gluon plasma formed in ultrarelativistic heavy-ion collisions. Transport coefficients are directly determined by the damping constant γ , which quantifies the influence of the environment. The asymptotic limit of our hydrodynamic equations reduces to the celebrated Navier-Stokes equations for a compressible fluid in the presence of a drag force. Furthermore, our results shed new light on the onset of hydrodynamic behavior in open quantum systems where a system with few degrees of freedom is coupled to a large thermal environment.

Hydrodynamics↗
DOE OSTI2023

Attract-repel path planner system for collision avoidance

A system for determining a travel direction that avoids objects when a vehicle travels from a current location to a target location is provided. The system determines a travel direction based on an attract-repel model. The system assigns a repel value to the object locations and an attract value. A repel represents a magnitude of a directional repulsive force, and the attract value represents the magnitude of a directional repulsive force. The system calculates an attract-repel field having an attract-repel magnitude and attract-repel direction for the current location based on the repel values and their directions and the attract value and its direction. The system then determines the travel direction for a vehicle to be the direction of the attract-repel field at the current location.

Paglieroni, David W.↗
DOE OSTI2020

Control of long-distance motion of single molecules on a surface

Spatial control over molecular movement is typically limited because motion at the atomic scale follows stochastic processes. Here, we used scanning tunneling microscopy to bring single molecules into a stable orientation of high translational mobility where they moved along precisely defined tracks. Single dibromoterfluorene molecules moved over large distances of 150 nanometers with extremely high spatial precision of 0.1 angstrom across a silver (111) surface. The electrostatic nature of the effect enabled the selective application of repulsive and attractive forces to send or receive single molecules. The high control allows us to precisely move an individual and specific molecular entity between two separate probes, opening avenues for velocity measurements and thus energy dissipation studies of single molecules in real time during diffusion and collision.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Comparing pion production in transport simulations of heavy-ion collisions at 270⁢𝐴 MeV under controlled conditions

Within the TMEP, we present a detailed study of the performance of different transport models in Sn+Sn collisions at 270A MeV, and put particular emphasis on the production of pions and Delta resonances, which have been used as probes of the nuclear symmetry energy. We prescribe a common and rather simple physics model, and follow in detail the results of 4 BUU models and 6 QMD models. The nucleonic evolution of the collision and the nucleonic observables in these codes do not completely converge, but the differences among the codes can be understood as being due to several reasons: the basic differences between BUU and QMD models in the representation of the phase-space distributions, computational differences in the mean-field evaluation, and differences in the adopted strategies for the Pauli blocking in the collision integrals. For pionic observables, we find that a higher maximum density leads to an enhanced pion yield and a reduced pi- pi+ yield ratio, while a more effective Pauli blocking generally leads to a slightly suppressed pion yield and an enhanced pi- pi+ yield ratio. We specifically investigate the effect of the Coulomb force, and find that it increases the total pi- pi+ yield ratio but reduces the ratio at high pion energies, although differences in its implementations do not have a dominating role in the differences among the codes. Taking into account only the results of codes that strictly follow the homework specifications, we find a convergence of the codes in the final charged pion yield ratio to a 1 sigma deviation of about 5%. Furthermore, the uncertainty is expected to be reduced to about 1.6% if the same or similar strategies and ingredients, i.e., an improved Pauli blocking and calculation of the non-linear term in the mean-field potential, are similarly used in all codes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Calculation of self-diffusion coefficients in supercritical carbon dioxide using mean force kinetic theory

This paper presents an application of mean force kinetic theory (MFT) to the calculation of the self-diffusivity of CO 2 in the supercritical fluid regime. Two modifications to the typical application of MFT are employed to allow its application to a system of molecular species. Therefore, the first is the assumption that the inter-particle potential of mean force can be obtained from the molecule center-of-mass pair correlation function, which in the case of CO 2 is the C–C pair correlation function. The second is a new definition of the Enskog factor that describes the effect of correlations at the surface of the collision volume. The new definition retains the physical picture that this quantity represents a local density increase, resulting from particle correlations, relative to that in the zero density homogeneous fluid limit. These calculations are facilitated by the calculation of pair correlation functions from molecular dynamics (MD) simulations using the FEPM2 molecular CO2 model. The self-diffusivity calculated from theory is in good agreement with that from MD simulations up to and slightly beyond the density at the location of the Frenkel line. The calculation is compared with and is found to perform similarly well to other commonly used models but has a greater potential for application to systems of mixed species and to systems of particles with long range interatomic potentials due to electrostatic interactions.

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

Dampening of the Precipitation Response to Aerosol Pollution From Turbulence in Cumulus Clouds

Using aircraft observations and a cloud model with particle‐based microphysics, it is shown that the enhancement of drop collision‐coalescence from turbulence in clouds not only leads to earlier onset of rain in warm cumulus clouds as past studies have suggested, but also significantly dampens the precipitation susceptibility to aerosol loading. Enhanced drop coalescence from turbulence substantially increases the production of drizzle embryos just above cloud base, which in turn act as seeds that accelerate rain drop growth at mid and upper cloud levels even in highly polluted conditions. In contrast, pollution aerosols strongly inhibit rainfall when the commonly assumed gravitational‐only collision kernel is used and turbulent coalescence is neglected. Overall, turbulence‐enhanced drop coalescence strongly influences the response of warm cumulus clouds and precipitation to aerosol loading, suggesting that the effects of turbulent coalescence should be included in Earth system model representations of aerosol‐cloud‐precipitation interactions and aerosol indirect radiative forcing.

Chandrakar, Kamal Kant [NSF National Center for At↗
DOE OSTI2021

Tutorial: Langevin Dynamics methods for aerosol particle trajectory simulations and collision rate constant modeling

The Langevin Dynamics (LD) method (also known in the literature as Brownian Dynamics) is routinely used to simulate aerosol particle trajectories for transport rate constant calculations as well as to understand aerosol particle transport in internal and external fluid flows. This tutorial intends to explain the methodological details of setting up a LD simulation of a population of aerosol particles and to deduce rate constants from an ensemble of classical trajectories. We discuss the applicability and limitations of the translational Langevin equation to model the combined stochastic and deterministic motion of particles in fields of force or fluid flow. The drag force and stochastic “diffusion” force terms that appear in the Langevin equation are discussed elaborately, along with a summary of common forces relevant to aerosol systems (electrostatic, gravity, van der Waals, …); a commonly used first order and a fourth order Runge-Kutta time stepping schemes for linear stochastic ordinary differential equations are presented. A MATLAB® implementation of a LD code for simulating particle settling under gravity using the first order scheme is included for illustration. Scaling analysis of aerosol transport processes and the selection of timestep and domain size for trajectory simulations are demonstrated through two specific aerosol processes: particle diffusion charging and coagulation. Fortran® implementations of the first order and fourth order time-stepping schemes are included for simulating the 3D motion of a particle in a periodic domain. Lastly, potential applications and caveats to the usage of LD are included as a summary.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Molecular dynamics simulations of reflection and sputtering behavior of boron under deuterium ion irradiation

Boronization is a commonly used method of wall conditioning in fusion reactors. The application of boron films to the plasma-facing materials results in enhanced plasma performance due to the reduction of intrinsic impurities. This is primarily driven by a reduction in oxygen content that is chemically trapped in the boron film. The reactive nature of these boron films also raises questions concerning interactions with hydrogen isotopes. In this work, boron-deuterium interactions were studied using molecular dynamics (MD). Reactive force field potentials were used to model the chemical interactions between B and D. An amorphous boron substrate was irradiated by D atoms at varying incident energies, 10 eV < E i < 150 eV and angles, 0° < α < 85°. The reflection probability was calculated and compared to results from the commonly-used binary collision approximation (BCA) method. This comparison found that the BCA underestimated the reflection probability at E i < 35 eV and α > 45 ∘ . The source of this discrepancy was found to be the surface binding energy model. The BCA calculation with an isotropic surface binding energy model was more closely aligned to the MD result. This, in combination with a correction function based on the MD results allows for corrections to the reflection probability of deuterium impinging on boron surfaces. The sputtering of the substrate material was also studied. While this study did not contain sufficient events to quantitatively describe the sputtering behavior, some qualitative results emerged: namely, chemical sputtering of B and D-containing molecules (BD, BD 2 , BD 3 ) at low ( < 20 eV) incident deuterium energies. This result suggests that chemical sputtering could be a significant factor in limiting boron coating lifetime when exposed to lower ion energies, such as those in detached plasmas. The results show that chemical interactions should be taken into account when modeling the interactions between D ions and B surfaces.

Boron↗
DOE OSTI2026

Few is different: deciphering many-body dynamics in mesoscopic quantum gases

Emergent macroscopic descriptions of matter, such as hydrodynamics, are central to our description of complex physical systems across a wide spectrum of energy scales. The conventional understanding of these many-body phenomena has recently been shaken by a number of experimental findings. Collective behavior of matter has been observed in mesoscopic systems, such as high-energy hadron–hadron collisions, or ultracold gases with only a few strongly interacting fermions. In such systems, the separation of scales between macroscopic and microscopic dynamics (at the heart of any effective theory) is inapplicable. To address the conceptual challenges that arise from these observations and explore the universality of emergent descriptions of matter, the EMMI Rapid Reaction Task Force was assembled. This document summarizes the RRTF discussions on recent theoretical and experimental advances in this rapidly developing field. Leveraging technological breakthroughs in the control of quantum systems, we can now quantitatively explore what it means for a system to exhibit behavior beyond the sum of its individual parts. In particular, the report highlights how the (in)applicability of hydrodynamics and other effective theories can be probed across three principal frontiers: the size frontier, the equilibrium frontier, and the interaction frontier.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Hydrogen irradiation-driven computational surface chemistry of lithium oxide and hydroxide

We have investigated, using molecular dynamics, the surface chemistry of hydrogen incident on the amorphous and crystalline lithium oxide and lithium hydroxide surfaces upon being slowed down by a collision cascade and retained in the amorphous surface of either Li 2 O or LiOH. We looked for the bonding of H to the resident structures in the surface to understand a possible chain of chemical reactions that can lead to surface transformation upon H atom impact. Our findings, using Density-Functional Theory (DFT) trained ReaxFF force field/electronegativity equalization method potentials, stress the importance of inclusion of polarization in the dynamics of a Li–O–H system, which is also illustrated by DFT energy minimization and quantum–classical molecular dynamics using tight binding DFT. The resulting polar-covalent chemistry of the studied systems is complex and very sensitive to the instantaneous positions of all atoms as well as the ratio of concentrations of various resident atoms in the surface.

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

Beyond $\rho ^{2/3}$ scaling: microscopic origins and multimessengers of high-density nuclear symmetry energy

The nature and Equation of State (EOS) of dense neutron-rich matter are still very poorly known, while they have broad impacts on many interesting issues in both astrophysics and nuclear physics. In particular, the nuclear symmetry energy $E_{\textrm{sym}}(\rho )$ encoding the cost to make nuclear matter more neutron-rich has been the most uncertain component of the EOS of dense neutron-rich nucleonic matter. It significantly affects the radii, tidal deformations, cooling rates, and frequencies of various oscillation modes of isolated neutron stars as well as the strain amplitude and frequencies of gravitational waves from their mergers, besides its many effects on the structures of nuclei as well as the dynamics and observables of their collisions. Siemens (1970s) observed that $E_{\textrm{sym}}(\rho )$ scales as $(\rho /\rho _0)^{2/3}$ near the saturation density $\rho _0$ of nuclear matter, since both the kinetic part and the potential contribution (quadratic in momentum) exhibit this dependence. The scaling holds if: (1) the nucleon isoscalar potential is quadratic in momentum, and (2) the isovector interaction is weakly density-dependent. After examining many empirical evidences and understanding theoretical findings in the literature, we conclude that: (1) Siemens’ $\rho ^{2/3}$ scaling is robust and serves as a valuable benchmark for both nuclear theories and experiments up to $2\rho _0$ but breaks down at higher densities, (2) Experimental and theoretical findings about $E_{\textrm{sym}}(\rho )$ up to $2\rho _0$ are broadly consistent, but uncertainties remain large for its curvature $K_{\textrm{sym}}(\rho )$ and higher-order parameters, (3) Above $2\rho _0$ , uncertainties grow due to poorly constrained spin-isospin-dependent tensor and three-body forces as well as the resulting nucleon short-range correlations. Looking forward, combining signals from both observations of neutron stars and terrestrial heavy-ion reaction experiments is the most promising path to finally constraining the high-density $E_{\textrm{sym}}(\rho )$ and the EOS of supradense neutron-rich matter. Multiple examples of community efforts to further constrain the high-density $E_{\textrm{sym}}(\rho )$ using both real and mocked data of present and future high-precision observations of neutron stars, as well as heavy-ion collisions involving high-energy rare isotopes, are briefly reviewed.

Li, Bao-An [East Texas A & M Univ., Commerce, TX (↗