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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Droplet formation simulation using mixed finite elements

Droplet formation happens in finite time due to the surface tension force. The linear stability analysis is useful to estimate the size of a droplet but fails to approximate the shape of the droplet. This is due to a highly nonlinear flow description near the point where the first pinch-off happens. A one-dimensional axisymmetric mathematical model was first developed by Eggers and Dupont [“Drop formation in a one-dimensional approximation of the Navier–Stokes equation,” J. Fluid Mech. 262, 205–221 (1994)] using asymptotic analysis. This asymptotic approach to the Navier–Stokes equations leads to a universal scaling explaining the self-similar nature of the solution. Numerical models for the one-dimensional model were developed using the finite difference [Eggers and Dupont, “Drop formation in a one-dimensional approximation of the Navier–Stokes equation,” J. Fluid Mech. 262, 205–221 (1994)] and finite element method [Ambravaneswaran et al., “Drop formation from a capillary tube: Comparison of one-dimensional and two-dimensional analyses and occurrence of satellite drops,” Phys. Fluids 14, 2606–2621 (2002)]. The focus of this study is to provide a robust computational model for one-dimensional axisymmetric droplet formation using the Portable, Extensible Toolkit for Scientific Computation. The code is verified using the Method of Manufactured Solutions and validated using previous experimental studies done by Zhang and Basaran [“An experimental study of dynamics of drop formation,” Phys. Fluids 7, 1184–1203 (1995)]. The present model is used for simulating pendant drops of water, glycerol, and paraffin wax, with an aspiration of extending the application to simulate more complex pinch-off phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Hopping mediated transport between finite pools of redox proteins

Transport reactions in biology involve the flow of particles—electrons, ions, or molecules—between reservoirs. Here, we explore how electron transport between finite reservoirs depends on the nature of the reservoirs, including their size, occupancy, and interactions. We compare the transport kinetics produced by narrowband and wideband infinite reservoir models (described earlier) with a finite narrowband reservoir model. The transport between finite reservoirs is found to depend on both the initial charge distribution and the number of carriers present. Whether or not a steady-state transport regime is accessed prior to reaching the equilibrium charge distribution depends on these initial conditions.

10 SYNTHETIC FUELS↗
DOE OSTI2022

A universal formula for the density of states in theories with finite-group symmetry

In this study we use Euclidean gravity to derive a simple formula for the density of black hole microstates which transform in each irreducible representation of any finite gauge group. Since each representation appears with nonzero density, this gives a new proof of the completeness hypothesis for finite gauge fields. Inspired by the generality of the argument we further propose that the formula applies at high energy in any quantum field theory with a finite-group global symmetry, and give some evidence for this conjecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Computational properties of finite PNmatrices

Abstract Recent compositionality results in logic have highlighted the advantages of enlarging the traditional notion of logical matrix semantics, namely by incorporating non-determinism and partiality. Still, several important properties which are known to be computable for finite logical matrices have not been studied in the wider context of partial non-deterministic matrices (PNmatrices). In this paper, we study how incorporating non-determinism and/or partiality in logical matrices impacts on the computational properties of some natural problems regarding their induced logics and concretely their sets of theorems. We show that, while for some of these problems there is no relevant computational impact, there are problems whose computational complexity increases and still other problems that simply become undecidable. In particular, we show that the problem of checking whether the logics characterized by two finite PNmatrices have the same set of theorems is not decidable. This undecidability result explores the connection between PNmatrices and term-DAG-automata, where the universality problem is known to be undecidable. This link also motivates a final contribution, in the form of a pumping-like lemma, which can be used, in some cases, to show that a given logic cannot be characterized by a finite PNmatrix.

Filipe, Pedro↗
DOE OSTI2026

Beyond Contrast Transfer: Spectral SNR as a Finite-Dose Metric for STEM Phase Retrieval

The contrast transfer function (CTF) is widely used to evaluate phase retrieval methods in scanning transmission electron microscopy (STEM), including center-of-mass imaging, parallax imaging, direct ptychography, and iterative ptychography. However, the CTF reflects only the maximum usable signal, neglecting the effects of finite electron fluence and the Poisson-limited nature of detection. As a result, it can significantly overestimate practical performance, especially in low-dose regimes. Here, we employ the spectral signal-to-noise ratio (SSNR), as a finite-dose statistical framework to evaluate the recoverable signal as a function of spatial frequency. Using numerical reconstructions of white-noise objects, we show that center-of-mass, parallax, and direct ptychography exhibit dose-independent SSNRs, with close-form analytic expressions. In contrast, iterative ptychography exhibits a surprising dose dependence: at low fluence, its SSNR converges to that of direct ptychography; at high fluence, it saturates at a value consistent with the maximum detective quantum efficiency predicted by recent quantum Fisher information bounds. The results highlight the limitations of CTF-based evaluation and motivate SSNR as a more accurate, finite-dose metric for assessing STEM phase retrieval methods.

STEM phase retrieval↗
DOE OSTI2026

Real-time estimators for scattering observables: A full account of finite-volume errors for quantum simulation

The real-time correlators of quantum field theories can be directly probed through new approaches to simulation, such as quantum computing and tensor networks. This provides a new framework for computing scattering observables in lattice formulations of strongly interacting theories, such as lattice quantum chromodynamics. In this paper, we prove that the proposal of real-time estimators of scattering observables is universally applicable to all scattering observables of gapped quantum field theories. All finite-volume errors are exponentially suppressed, and the rate of this suppression is controlled by the regulator considered, namely, a displacement of the spectrum of the theory into the complex plane. A partial restoration of Lorentz symmetry by averaging over different boosts gives an additional suppression of finite volume errors. Our results also apply to the simulation of wave packet scattering, where a similar averaging is performed to construct the wave packets that regulate the finite volume effects. This result represents a necessary key step toward determining a broad class of scattering observables via quantum computing that are currently inaccessible via classical computing. Such observables are relevant for various applications, including hadron spectroscopy, hadron structure, and precision tests of the Standard Model. We also comment on potential applications of our results to traditional computational schemes.

Burbano, Ivan M. [University of California, Berkel↗
DOE OSTI2025

Shear viscosity from perturbative quantum chromodynamics to the hadron resonance gas at finite baryon, strangeness, and electric charge densities

Through model-to-data comparisons from heavy-ion collisions, it has been shown that the quark gluon plasma has an extremely small shear viscosity at vanishing densities. At large baryon densities, significantly less is known about the nature of the shear viscosity from quantum chromodynamics (QCD). Within heavy-ion collisions, there are three conserved charges: baryon number (B), strangeness (S), and electric charge (Q). Here we calculate the shear viscosity in two limits using perturbative QCD (pQCD) and an excluded-volume hadron resonance gas at finite BSQ densities. We then develop a framework that interpolates between these two limits such that shear viscosity is possible to calculate across a wide range of finite BSQ densities. We find that the pQCD and hadron resonance gas calculations have different BSQ density dependencies such that a rather nontrivial shear viscosity appears at finite densities.

Phenomenology↗
DOE OSTI2024

Robust finite-temperature many-body scarring on a quantum computer

Mechanisms for suppressing thermalization in disorder-free many-body systems, such as Hilbert space fragmentation and quantum many-body scars, have recently attracted much interest in foundations of quantum statistical physics and potential quantum information processing applications. However, their sensitivity to realistic effects such as finite temperature remains largely unexplored. Here, we have utilized IBM's Kolkata quantum processor to demonstrate an unexpected robustness of quantum many-body scars at finite temperatures when the system is prepared in a thermal Gibbs ensemble. We identify such robustness in the PXP model, which describes quantum many-body scars in experimental systems of Rydberg atom arrays and ultracold atoms in tilted Bose-Hubbard optical lattices. By contrast, other theoretical models which host exact quantum many-body scars are found to lack such robustness and their scarring properties quickly decay with temperature. Our study sheds light on the important differences between scarred models in terms of their algebraic structures, which impacts their resilience to finite temperature. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Protecting a quantum state from environmental noise by an incompatible finite-time measurement

We show that measurements of finite duration performed on an open two-state system can protect the initial state from a phase-noisy environment, provided the measured observable does not commute with the perturbing interaction. When the measured observable commutes with the environmental interaction, the finite-duration measurement accelerates the rate of decoherence induced by the phase noise. For the description of the measurement of an observable that is incompatible with the interaction between system and environment, we have found an approximate analytical expression, valid at zero temperature and weak coupling with the measuring device. We have tested the validity of the analytical predictions against an exact numerical approach, based on the superoperator-splitting method, that confirms the protection of the initial state of the system. When the coupling between the system and the measuring apparatus increases beyond the range of validity of the analytical approximation, the initial state is still protected by the finite-time measurement, according with the exact numerical calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Tracking an open quantum system using a finite state machine: Stability analysis

A finite-dimensional Markovian open quantum system will undergo quantum jumps between pure states, if we can monitor the bath to which it is coupled with sufficient precision. In general these jumps, plus the between-jump evolution, create a trajectory which passes through infinitely many different pure states, even for ergodic systems. However, as shown recently by us [Phys. Rev. Lett. 106, 020406 (2011)], it is possible to construct adaptive monitorings which restrict the system to jumping between a finite number of states. That is, it is possible to track the system using a finite state machine as the apparatus. In this paper we consider the question of the stability of these monitoring schemes. Restricting to cyclic jumps for a qubit, we give a strong analytical argument that these schemes are always stable and supporting analytical and numerical evidence for the example of resonance fluorescence. This example also enables us to explore a range of behaviors in the evolution of individual trajectories, for several different monitoring schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Finite-size and particle-number effects in an ultracold Fermi gas at unitarity

We investigate an ultracold Fermi gas at unitarity confined in a periodic box V=L{sup 3} using renormalization group techniques. Within this approach we can quantitatively assess the long-range bosonic order parameter fluctuations, which dominate finite-size effects. We determine the finite-size and particle-number dependence of universal quantities, such as the Bertsch parameter and the fermion gap. Moreover, we analyze how these universal observables respond to the variation of an external pairing source. Our results indicate that the Bertsch parameter saturates rather quickly to its value in the thermodynamic limit as a function of increasing box size. On the other hand, we observe that the fermion gap shows a significantly stronger dependence on the box size, in particular for small values of the pairing source. Our results may contribute to a better understanding of finite-size and particle-number effects present in Monte Carlo simulations of ultracold Fermi gases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Chiral Topological Surface States on a Finite Square Photonic Crystal Bounded by Air

Chiral, topologically protected, photonic surface states can be found at the boundary between gyrotropic photonic crystals where a changing magnetic field induces different topology across the interface. Typically, photonic crystals with either a suitable band structure on both sides of the interface to provide a band gap and evanescent decay of the surface states away from the interface, or an outer layer with engineered material properties is required. In this paper, we show the emergence of topological, unidirectional surface states at the termination of finite gyrotropic photonic crystals with a simple square lattice and C 4 rotational symmetry bounded by a vacuum, eliminating the need for an outside layer to enable chiral surface modes. Here, we start from an infinite, time-reversal-symmetry-breaking photonic crystal with a band gap associated with bands with nonzero Chern numbers, different from all-zero Chern numbers in air. We then modify the photonic crystal to move this band gap below the light line, while maintaining the Chern-number discontinuities. Band-structure calculations for a supercell approximating a photonic crystal finite in the direction normal to the surface demonstrate the existence, dispersion, and chirality of the surface mode. Extensive direct scattering calculations for a point source and spatial Fourier analysis further reveal a unidirectional free-space topological surface state, which propagates counterclockwise around the surface of a finite photonic crystal, providing a nearly foolproof way to cross-check the surface-mode band structure unaffected by backscattering from local defects. Additionally, scattering simulations allow an independent characterization of the state dispersion and unveil the robustness of the topological plasmonic mode propagation around the 90° bends of the structure, being due to only radiation leakage. In contrast to buried topological surface states, the observed surface modes at the photonic crystal–air interface have the advantage of being accessible to the outside world, allowing one to take advantage of the defect-tolerant backscattering-free surface modes to engineer emission from photonic crystal surfaces into arbitrary free-space beam shapes and directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Phase diagram and edge states of the 𝜈 = 5/2 fractional quantum Hall state with Landau level mixing and finite well thickness

The 𝜈 = 5/2 fractional quantum Hall effect is a system of intense experimental and theoretical interest as its ground state may host non-Abelian excitations, but the exact nature of the ground state is still undetermined. We present the results of an exact diagonalization study of an electron system in the disk configuration, including the effects of Landau level (LL) mixing and the finite thickness of the quantum well confining the electrons. The degeneracy between the two leading candidates for the ground state, the Pfaffian and anti-Pfaffian, is broken by interactions with a neutralizing background, in addition to the inclusion of two- and three-body interactions via LL mixing. As a result of the neutralizing background in the disk configuration, there is a phase transition from the anti-Pfaffian to the Pfaffian as LL mixing is turned on, in stark contrast to what is observed in spherical geometry. This behavior is in agreement with existing experiments, showing the appearance of the Pfaffian state at strong LL mixing before the system enters a compressible phase. Furthermore, the inclusion of LL mixing leads to an increased charge 𝑒/4 quasihole size. LL mixing interactions are also shown to overcome the effects of edge reconstruction. Due to finite thickness effects, these properties are enhanced dramatically. We also find that only the Pfaffian and anti-Pfaffian states continue to possess energy gaps at finite width, while gaps for compressible stripe states close, which is in agreement with available experimental data.

Tylan-Tyler, Anthony↗
DOE OSTI2019

Nuclear matter properties at finite temperatures from effective interactions

We study if commonly used nucleon-nucleon effective interactions, obtained from fitting the properties of cold nuclear matter and of finite nuclei, can properly describe the hot dense nuclear matter produced in intermediate-energy heavy-ion collisions. We use two representative effective interactions, i.e., an improved isospin- and momentum-dependent interaction with its isovector part calibrated by the results from the ab initio nonperturbative self-consistent Green's function (SCGF) approach with chiral forces, and a Skyme-type interaction fitted to the equation of state of cold nuclear matter from chiral effective many-body perturbation theory and the binding energy of finite nuclei. In the mean-field approximation, we evaluate the equation of state and the single-nucleon potential for nuclear matter at finite temperatures and compare them to those from the SCGF approach. We find that the improved isospin- and momentum-dependent interaction reproduces reasonably well the SCGF results due to its weaker momentum dependence of the mean-field potential than in the Skyrme-type interaction. Furthermore, our study thus indicates that effective interactions with the correct momentum dependence of the mean-filed potential can properly describe the properties of hot dense nuclear matter and are thus suitable for use in transport models to study heavy-ion collisions at intermediate energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Complex scaling in finite volume

Quantum resonances, i.e., metastable states with a finite lifetime, play an important role in nuclear physics and other domains. Describing this phenomenon theoretically is generally a challenging task. In this work, we combine two established techniques to address this challenge. Complex scaling makes it possible to calculate resonances with bound-state-like methods. Finite-volume simulations exploit the fact that the infinite-volume properties of quantum systems are encoded in how discrete energy levels change as one varies the size of the volume. Herein we apply complex scaling to systems in finite periodic boxes and derive the volume dependence of states in this scenario, demonstrating with explicit examples how one can use these relations to infer infinite-volume resonance energies and lifetimes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Description of induced nuclear fission with Skyrme energy functionals. II. Finite temperature effects

Understanding the mechanisms of induced nuclear fission for a broad range of neutron energies could help resolve fundamental science issues, such as the formation of elements in the universe, but could have also a large impact on societal applications in energy production or nuclear waste management. The goal of this paper is to set up the foundations of a microscopic theory to study the static aspects of induced fission as a function of the excitation energy of the incident neutron, from thermal to fast neutrons. To account for the high excitation energy of the compound nucleus, we employ a statistical approach based on finite temperature nuclear density functional theory with Skyrme energy densities, which we benchmark on the 239 Pu ($n ,f$) reaction. We compute the evolution of the least-energy fission pathway across multidimensional potential energy surfaces with up to five collective variables as a function of the nuclear temperature and predict the evolution of both the inner and the outer fission barriers as a function of the excitation energy of the compound nucleus. We show that the coupling to the continuum induced by the finite temperature is negligible in the range of neutron energies relevant for many applications of neutron-induced fission. We prove that the concept of quantum localization introduced recently can be extended to T > 0 , and we apply the method to study the interaction energy and total kinetic energy of fission fragments as a function of the temperature for the most probable fission. While large uncertainties in theoretical modeling remain, we conclude that a finite temperature nuclear density functional may provide a useful framework to obtain accurate predictions of fission fragment properties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Unitarity of the infinite-volume three-particle scattering amplitude arising from a finite-volume formalism

Hansen and Sharpe derived a relation between the scattering amplitude of three identical bosons, $\mathcal M_3$, and a real function referred to as the divergence-free $K$ matrix and denoted $\mathcal K_{df,3}$. The result arose in the context of a relation between finite-volume energies and $\mathcal K_{df,3}$, derived to all orders in the perturbative expansion of a generic low-energy effective field theory. In this work we set aside the role of the finite volume and focus on the relation between $\mathcal K_{df,3}$ and $\mathcal M_3$. We show that, for any real choice of $\mathcal K_{df,3}$, $\mathcal M_3$ satisfies the three-particle unitarity constraint to all orders. Given that $\mathcal K_{df,3}$ is also free of a class of kinematic divergences, the function may provide a useful tool for parametrizing three-body scattering data. Applications include the phenomenological analysis of experimental data (where the connection to the finite volume is irrelevant) as well as calculations in lattice quantum chromodynamics (where the volume plays a key role).

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Lattice finite-volume dependence of the nucleon parton distributions

There have been rapid developments in the direct calculation of the Bjorken-x dependence of parton distribution functions (PDFs) using lattice QCD, and the technique shows promising results. Among various new methods, large-momentum effective theory (LaMET), which calculates boosted hadron matrix elements of multiple spatial displacements on the lattice, shows promising PDFs at physical pion mass by both LP 3 and ETMC Collaborations. However, the finite-volume systematics have not yet been studied, and it has been suggested that such systematics can be more significant for LaMET-type operators than the traditional bilinear quark operators in charges and form factors. In this work, we present the first study of the finite-volume systematic for both isovector nucleon unpolarized and helicity matrix elements on three lattice volumes (2.88, 3.84, 4.8 fm) with lattice spacing 0.12 fm and 220-MeV pion mass. We perform two-state simultaneous fits using multiple source-sink separations to remove excited-state contamination and obtain reliable ground-state matrix elements. We then implement nonperturbative renormalization and Fourier transform the matrix elements to momentum-space quasi-PDFs. Overall, we do not see significant finite-volume systematics at the studied boost momenta of P z = 1.3 and 2.6 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗