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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Study of the all orders multiplicative renormalizability of a local confining quark action in the Landau gauge

The inverse of the Faddeev–Popov operator plays a pivotal role within the Gribov–Zwanziger approach to the quantization of Euclidean Yang–Mills theories in Landau gauge. Following a recent proposal (Capri et al., 2014), we show that the inverse of the Faddeev–Popov operator can be consistently coupled to quark fields. Such a coupling gives rise to a local action while reproducing the behaviour of the quark propagator observed in lattice numerical simulations in the non-perturbative infrared region. By using the algebraic renormalization framework, we prove that the aforementioned local action is multiplicatively renormalizable to all orders.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Designing field-controllable graphene-dot-graphene single molecule switches: A quantum-theoretical proof-of-concept under realistic operating conditions

A theoretical proof of the concept that a particularly designed graphene-based moletronics device, constituted by two semi-infinite graphene subunits, acting as source and drain electrodes, and a central benzenoid ring rotator (a “quantum dot”), could act as a field-controllable molecular switch is outlined and analyzed with the density functional theory approach. Besides the ideal (0 K) case, we also consider the operation of such a device under realistic operating (i.e., finite-temperature) conditions. An in-depth insight into the physics behind device controllability by an external field was gained by thorough analyses of the torsional potential of the dot under various conditions (absence or presence of an external gating field with varying strength), computing the torsional correlation time and transition probabilities within the Bloembergen-Purcell-Pound formalism. Both classical and quantum mechanical tunneling contributions to the intramolecular rotation were considered in the model. The main idea that we put forward in the present study is that intramolecular rotors can be controlled by the gating field even in cases when these groups do not possess a permanent dipole moment (as in cases considered previously by us [I. Petreska et al., J. Chem. Phys. 134, 014708-1–014708-12 (2011)] and also by other groups [P. E. Kornilovitch et al., Phys. Rev. B 66, 245413-1–245413-7 (2002)]). Consequently, one can control the molecular switching properties by an external electrostatic field utilizing even nonpolar intramolecular rotors (i.e., in a more general case than those considered so far). Molecular admittance of the currently considered graphene-based molecular switch under various conditions is analyzed employing non-equilibrium Green’s function formalism, as well as by analysis of frontier molecular orbitals’ behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Data-driven learning of nonlocal physics from high-fidelity synthetic data

A key challenge to nonlocal models is the analytical complexity of deriving them from first principles, and frequently their use is justified a posteriori. Here, we extract nonlocal models from data, circumventing these challenges and providing data-driven justification for the resulting model form. Extracting data-driven surrogates is a major challenge for machine learning (ML) approaches, due to nonlinearities and lack of convexity — it is particularly challenging to extract surrogates which are provably well-posed and numerically stable. Our scheme not only yields a convex optimization problem, but also allows extraction of nonlocal models whose kernels may be partially negative while maintaining well-posedness even in small-data regimes. To achieve this, based on established nonlocal theory, we embed in our algorithm sufficient conditions on the non-positive part of the kernel that guarantee well-posedness of the learnt operator. These conditions are imposed as inequality constraints to meet the requisite conditions of the nonlocal theory. We demonstrate this workflow for a range of applications, including reproduction of manufactured nonlocal kernels; numerical homogenization of Darcy flow associated with a heterogeneous periodic microstructure; nonlocal approximation to high-order local transport phenomena; and approximation of globally supported fractional diffusion operators by truncated kernels.

42 ENGINEERING↗
DOE OSTI2026

The Physics Imposed on a Streaming Operator by Spherical Transport Problems

The streaming operator, which generates a displacement of a particle on a straight line at a constant speed in transport theory, is derived algebraically from a spherical coordinate formulation of Newton’s second law. This derivation leads to an operator that has more partial derivatives than a Cartesian coordinate formulation of the operator. The additional partial derivatives, which are with respect to the normalized velocity variables of a particle, take into account the intrinsic curvature of a ball. Moreover, these partial derivatives mitigate ray effects, which arise when a finite number of normalized velocities (also called directions or discrete ordinates) are used to simulate a continuous S 2 sphere of directions, by rotating the polar axis of the S 2 sphere into the radial direction of the coordinate system. As a consequence of this rotation, the number of actual discrete ordinates is greatly amplified to an enormous number of effective discrete ordinates by a multiplier that is equal to the number of patches that partitions a spherical surface. In addition to the derivation of the streaming operator, we provide in closed form a solution to the system of characteristic equations that is equivalent to the streaming operator. Furthermore, the solution to the system of characteristic equations enables the construction of an integral operator that is the inverse to the streaming operator. Examples in which ray effects are immensely mitigated by spherical coordinates are presented.

integral operator↗
DOE OSTI2025

Quantum computing for energy correlators

In recent years, energy correlators have emerged as powerful observables for probing the fragmentation dynamics of high-energy collisions. We introduce the first numerical strategy for calculating energy correlators using the Hamiltonian lattice approach, providing access to the intriguing nonperturbative dynamics of these observables. Furthermore, motivated by rapid advances in quantum computing hardware and algorithms, we propose a quantum algorithm for calculating energy correlators in quantum field theories. This algorithm includes ground state preparation, the application of source, sink, energy flux and real-time evolution operators, and the Hadamard test. We validate our approach by applying it to the SU(2) pure gauge theory in 2 + 1 dimensions on 3 × 3 and 5 × 5 honeycomb lattices with 𝑗 max = $\frac{1}{2}$ at various couplings, utilizing both classical methods and the quantum algorithm, the latter tested using the IBM emulator for specific configurations. The results are consistent with the expected behavior of the strong coupling regime and motivate a more comprehensive study to probe the confinement dynamics across the weak and strong coupling regimes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Manifestly causal in-in perturbation theory about the interacting vacuum

In-In perturbation theory is a vital tool for cosmology and nonequilibrium physics. Here, we reconcile an apparent conflict between two of its important aspects with particular relevance to De Sitter/inflationary contexts: (i) the need to slightly deform unitary time evolution with an iϵ prescription that projects the free (“Bunch-Davies”) vacuum onto the interacting vacuum and renders vertex integrals well-defined, and (ii) Weinberg’s “nested commutator” reformulation of in-in perturbation theory which makes manifest the constraints of causality within expectation values of local operators, assuming exact unitarity. We show that a modified iϵ prescription maintains the exact unitarity on which the derivation of (ii) rests, while nontrivially agreeing with (i) to all orders of perturbation theory.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

Stability of a rigid rotor supported on oil-film journal bearings under dynamic load

Most published work relating to dynamically loaded journal bearings are directed to determining the minimum film thickness from the predicted journal trajectories. These do not give any information about the subsynchronous whirl stability of journal bearing systems since they do not consider the equations of motion. It is, however, necessary to know whether the bearing system operation is stable or not under such an operating condition. The stability characteristics of the system are analyzed. A linearized perturbation theory about the equilibrium point can predict the threshold of stability; however it does not indicate postwhirl orbit detail. The linearized method may indicate that a bearing is unstable for a given operating condition whereas the nonlinear analysis may indicate that it forms a stable limit cycle. For this reason, a nonlinear transient analysis of a rigid rotor supported on oil journal bearings under: (1) a unidirectional constant load, (2) a unidirectional periodic load, and (3) variable rotating load are performed. The hydrodynamic forces are calculated after solving the time-dependent Reynolds equation by a finite difference method with a successive overrelaxation scheme. Using these forces, equations of motion are solved by the fourth-order Runge-Kutta method to predict the transient behavior of the rotor. With the aid of a high-speed digital computer and graphics, the journal trajectories are obtained for several different operating conditions.

Majumdar, B. C.↗
DOE OSTI2015

Bias in the effective field theory of large scale structures

We study how to describe collapsed objects, such as galaxies, in the context of the Effective Field Theory of Large Scale Structures. The overdensity of galaxies at a given location and time is determined by the initial tidal tensor, velocity gradients and spatial derivatives of the regions of dark matter that, during the evolution of the universe, ended up at that given location. Similarly to what was recently done for dark matter, we show how this Lagrangian space description can be recovered by upgrading simpler Eulerian calculations. We describe the Eulerian theory. We show that it is perturbatively local in space, but non-local in time, and we explain the observational consequences of this fact. We give an argument for why to a certain degree of accuracy the theory can be considered as quasi time-local and explain what the operator structure is in this case. Furthermore, we describe renormalization of the bias coefficients so that, after this and after upgrading the Eulerian calculation to a Lagrangian one, the perturbative series for galaxies correlation functions results in a manifestly convergent expansion in powers of k/k NL and k/k M , where k is the wavenumber of interest, k NL is the wavenumber associated to the non-linear scale, and k M is the comoving wavenumber enclosing the mass of a galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Role of Chiral Two-Body Currents in 6 Li Magnetic Properties in Light of a New Precision Measurement with the Relative Self-Absorption Technique

A direct measurement of the decay width of the excited $0^+_1$ state of 6 Li using the relative self-absorption technique is reported. Our value of $Γ_{γ,0^{+}_{1}} → 1^{+}_{1}$ = 8.17 (14) stat. (11) syst. eV provides sufficiently low experimental uncertainties to test modern theories of nuclear forces. The corresponding transition rate is compared to the results of ab initio calculations based on chiral effective field theory that take into account contributions to the magnetic dipole operator beyond leading order. This allows for a precision test of the impact of two-body currents that enter at next-to-leading order.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Renormalization of the Standard Model Effective Field Theory from geometry

S-matrix elements are invariant under field redefinitions of the Lagrangian. They are determined by geometric quantities such as the curvature of the field-space manifold of scalar and gauge fields. We present a formalism where scalar and gauge fields are treated together, with a metric on the combined space of both types of fields. Scalar and gauge scattering amplitudes are given by the Riemann curvature Rijkl of this combined space, with indices i, j, k, l chosen to be scalar or gauge indices depending on the type of external particle. One-loop divergences can also be computed in terms of geometric invariants of the combined space, which greatly simplifies the computation of renormalization group equations. We apply our formalism to the Standard Model Effective Field Theory (SMEFT), and compute the renormalization group equations for even-parity bosonic operators to mass dimension eight.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Expansion in higher harmonics of boson stars using a generalized Ruffini-Bonazzola approach. Part 1. Bound states

The method pioneered by Ruffini and Bonazzola (RB) to describe boson stars involves an expansion of the boson field which is linear in creation and annihilation operators. This expansion constitutes an exact solution to a non-interacting field theory, and has been used as a reasonable ansatz for an interacting one. In this work, we show how one can go beyond the RB ansatz towards an exact solution of the interacting operator Klein-Gordon equation, which can be solved iteratively to ever higher precision. Our Generalized Ruffini-Bonazzola approach takes into account contributions from nontrivial harmonic dependence of the wavefunction, using a sum of terms with energy $k\,E_0$, where $k\geq1$ and $E_0$ is the chemical potential of a single bound axion. The method critically depends on an expansion in a parameter $\Delta \equiv \sqrt{1-E_0{}^2/m^2}<1$, where $m$ is the mass of the boson. In the case of the axion potential, we calculate corrections which are relevant for axion stars in the transition or dense branches. We find with high precision the local minimum of the mass, $M_{min}\approx 463\,f^2/m$, at $\Delta\approx0.27$, where $f$ is the axion decay constant. This point marks the crossover from transition to dense branches of solutions, and a corresponding crossover from structural instability to stability.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

An effective formalism for testing extensions to General Relativity with gravitational waves

The recent direct observation of gravitational waves (GW) from merging black holes opens up the possibility of exploring the theory of gravity in the strong regime at an unprecedented level. It is therefore interesting to explore which extensions to General Relativity (GR) could be detected. We construct an Effective Field Theory (EFT) satisfying the following requirements. It is testable with GW observations; it is consistent with other experiments, including short distance tests of GR; it agrees with widely accepted principles of physics, such as locality, causality and unitarity; and it does not involve new light degrees of freedom. The most general theory satisfying these requirements corresponds to adding to the GR Lagrangian operators constructed out of powers of the Riemann tensor, suppressed by a scale comparable to the curvature of the observed merging binaries. The presence of these operators modifies the gravitational potential between the compact objects, as well as their effective mass and current quadrupoles, ultimately correcting the waveform of the emitted GW.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Causality, unitarity, and the weak gravity conjecture

We consider the shift of charge-to-mass ratio for extremal black holes in the context of effective field theory, motivated by the Weak Gravity Conjecture. We constrain extremality corrections in different regimes subject to unitarity and causality constraints. In the asymptotic IR, we demonstrate that for any supersymmetric theory in flat space, and for all minimally coupled theories, logarithmic running at one loop pushes the Wilson coefficient of certain four-derivative operators to be larger at lower energies, guaranteeing the existence of sufficiently large black holes with Q > M. We identify two exceptional cases of nonsupersymmetric theories involving large numbers of light states and Planck-scale nonminimal couplings, in which the sign of the running is reversed, leading to black holes with negative corrections to Q/M in the deep IR, but argue that these do not rule out extremal black holes as the requisite charged states for the WGC. We separately show that causality and unitarity imply that the leading threshold corrections to the effective action from integrating out massive states, in any weakly coupled theory, can be written as a sum of squares and is manifestly positive for black hole backgrounds. Quite beautifully, the shift in the extremal Q/M ratio is directly proportional to the shift in the on-shell action, guaranteeing that these threshold corrections push Q > M in compliance with the WGC. Our results apply for black holes with or without dilatonic coupling and charged under any number of U(1)s.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Glauber-theory analysis of nuclear reactions on a 12 C target with variational Monte Carlo wave functions

The application of Glauber theory has been playing an increasingly important role with the study of unstable or exotic nuclei. Its adaptation to medium and high-energy nucleus-nucleus collisions is severely limited because one has to evaluate the matrix elements of multiple-scattering operators. The extraction of physical observables has been done using ‘approximate’ Glauber theory whose validity is hard to evaluate. Here, we perform a full calculation of the matrix elements using Monte Carlo integration and analyze the elastic differential cross sections and the total reaction cross sections for p+¹²C, ⁴,⁶He+¹²C, and ¹²C+¹²C collisions. We use the variational Monte Carlo wave functions for ⁴,⁶He and ¹²C obtained by using realistic two- and three-nucleon potentials. We demonstrate the performance of the Glauber-theory calculations by comparing with available experimental data. We further discuss the accuracy of the conventional approximate methods in the light of the cumulant expansion for Glauber’s phase-shift function.

Horiuchi, W. [Osaka Metropolitan University (Japan↗
DOE OSTI2014

Coherent states formulation of polymer field theory

We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations. The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

CyPhyR: a cyber‐physical analysis tool for measuring and enabling resiliency in microgrids

This study presents a tool to study the cyber‐physical resiliency (CyPhyR) of critical energy infrastructure system, in particular the effect of cyber attacks on the microgrid's resiliency. The developed tool enables measuring resiliency using data from cyber and physical systems and suggests control decisions for resilient planning and operation of the microgrid. The microgrid resiliency is formulated based on graph theory based indices and cyber‐power system characteristics. A Common Vulnerability Scoring System based metric called the Cyber Asset Impact Potential is developed and used in the planning phase, and another metric, Cyber Impact Severity is introduced to study the system performance in the operational phase. The information from these two phases is provided to the operator to make informed and proactive decisions to ensure the resilient operation of the microgrid. The performance of the developed tool has been tested using comprehensive real‐time cyber‐power testbed for a Consortium for Electric Reliability Technology Solutions microgrid test system.

Venkataramanan, Venkatesh↗
DOE OSTI2016

Constraints on single-field inflation

Many alternatives to canonical slow-roll inflation have been proposed over the years, one of the main motivations being to have a model, capable of generating observable values of non-Gaussianity. In this work, we (re-)explore the physical implications of a great majority of such models within a single, effective field theory framework (including novel models with large non-Gaussianity discussed for the first time below). The constraints we apply — both theoretical and experimental — are found to be rather robust, determined to a great extent by just three parameters: the coefficients of the quadratic EFT operators (δN){sup 2} and δNδE, and the slow-roll parameter ε. This allows to significantly limit the majority of single-field alternatives to canonical slow-roll inflation. While the existing data still leaves some room for most of the considered models, the situation would change dramatically if the current upper limit on the tensor-to-scalar ratio decreased down to r<10{sup −2}. Apart from inflationary models driven by plateau-like potentials, the single-field model that would have a chance of surviving this bound is the recently proposed slow-roll inflation with weakly-broken galileon symmetry. In contrast to canonical slow-roll inflation, the latter model can support r<10{sup −2} even if driven by a convex potential, as well as generate observable values for the amplitude of non-Gaussianity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Band gap engineering of Si-Ge alloys for mid-temperature thermoelectric applications

The viability of Si-Ge alloys in thermoelectric applications lies in its high figure-of-merit, non-toxicity and earth-abundance. However, what restricts its wider acceptance is its operation temperature (above 1000 K) which is primarily due to its electronic band gap. By means of density functional theory calculations, we propose that iso-electronic Sn substitutions in Si-Ge can not only lower its operation to mid-temperature range but also deliver a high thermoelectric performance. While calculations find a near invariance in the magnitude of thermopower, empirical models indicate that the materials thermal conductivity would also reduce, thereby substantiating that Si-Ge-Sn alloys are promising mid-temperature thermoelectrics.

36 MATERIALS SCIENCE↗