Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Classic”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impact of classical statistics on thermal conductivity predictions of BAs and diamond using machine learning molecular dynamics

Machine learning interatomic potentials (MLIPs) have greatly enhanced molecular dynamics (MD) simulations, achieving near-first-principles accuracy in thermal conductivity studies. In this work, we reveal that this accuracy, observed in BAs and diamond at sub-Debye temperatures, stems from an accidental error cancelation: classical statistics overestimates specific heat while underestimating phonon lifetimes, balancing out in thermal conductivity predictions. However, this balance is disrupted when isotopes are introduced, leading MLIP-based MD to significantly underpredict thermal conductivity compared to experiments and quantum statistics-based Boltzmann transport equation. This discrepancy arises not from classical statistics affecting phonon–isotope scattering rates but from its impact on the interplay between phonon–isotope and phonon–phonon scattering in the normal scattering-dominated BAs and diamond. In conclusion, this work underscores the limitations of MLIP-based MD for thermal conductivity studies at sub-Debye temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nonlinear optics in 2D materials: From classical to quantum

Nonlinear optics has long been a cornerstone of modern photonics, enabling a wide array of technologies, from frequency conversion to the generation of ultrafast light pulses. Recent breakthroughs in two-dimensional (2D) materials have opened a frontier in this field, offering new opportunities for both classical and quantum nonlinear optics. These atomically thin materials exhibit strong light–matter interactions and large nonlinear responses, thanks to their tunable lattice symmetries, strong resonance effects, and highly engineerable band structures. In this paper, we explore the potential that 2D materials bring to nonlinear optics, covering topics from classical nonlinear optics to nonlinearities at the few-photon level. We delve into how these materials enable possibilities, such as symmetry control, phase matching, and integration into photonic circuits. The fusion of 2D materials with nonlinear optics provides insights into the fundamental behaviors of elementary excitations—such as electrons, excitons, and photons—in low-dimensional systems and has the potential to transform the landscape of next-generation photonic and quantum technologies.

2D materials↗
DOE OSTI2026

Out-of-time-order correlators bridge classical transport and quantum dynamics

The out-of-time-order correlator (OTOC) has emerged as a central tool for quantifying decoherence across wide-ranging physical platforms. Here, we demonstrate its direct measurement in a classical ensemble using nuclear magnetic resonance with a modulated gradient spin echo sequence and extend the method into a multidimensional correlation to track exchange phenomena. Position is encoded through magnetic field gradients and momentum through the velocity autocorrelation function, enabling experimental access to OTOCs for proton motion confined within the self-similar lattice of the metal–organic framework MOF-808. Here, water confined to specified geometries within the MOF pores gives rise to spatially distinct diffusive eigenmodes with characteristic relative entropies. We demonstrate that periodic radio frequency driving combined with gradient modulation yields entropy evolution through the selection of distinct diffusion modes. Frequency-resolved diffusion spectra connect these entropy dynamics to classical heat exchange laws, revealing how operational features of quantum systems are mirrored in confined, macroscopic spin ensembles.

Fricke, Sophia N. [University of California, Berke↗
DOE OSTI2025

Classical signatures of quenched and thermal disorder in the dynamics of correlated spin systems

Neutron scattering is frequently used to look for evidence of features indicative of quantum-entangled phases of matter such as continua from fractionalisation or quantised excitations. However, the non-specificity of these features and difficulty of both fully quantum treatments and semiclassical models of disorder, make the diagnosis of such states problematic. Here, we demonstrate the feasibility of semiclassical treatments of disordered systems for supercells of ~10 000 spins. By examining a number of classically disordered models we show the presence of quantised excitations, broad continua and anomalous damping originating from quenched disorder or large classical degeneracies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Recurrent convolutional neural networks for modeling nonadiabatic dynamics of quantum-classical systems

Recurrent neural networks (RNNs) have recently been extensively applied to model the time evolution in fluid dynamics, weather predictions, and even chaotic systems due to their ability to capture temporal dependencies and sequential patterns in data. Here we present an RNN model based on convolutional neural networks for modeling the nonlinear nonadiabatic dynamics of hybrid quantum-classical systems. The dynamical evolution of the hybrid systems is governed by equations of motion for classical degrees of freedom and von Neumann equation for electrons. The Physics-Aware Recurrent Convolution (PARC) neural network structure incorporates a differentiator-integrator architecture that inductively models the spatiotemporal dynamics of generic physical systems. Here, we apply our RNN approach to learn the space-time evolution of a one-dimensional semiclassical Holstein model after an interaction quench. For shallow quenches (small changes in electron-lattice coupling), the deterministic dynamics can be accurately captured using a single-CNN-based recurrent network. In contrast, deep quenches induce chaotic evolution, making long-term trajectory prediction significantly more challenging. Nonetheless, we demonstrate that the PARC-CNN architecture can effectively learn the statistical climate of the Holstein model under deep-quench conditions.

Holstein model↗
DOE OSTI2024

Complex orders and chirality in the classical Kitaev-Γ model

It is well recognized that the low-energy physics of many Kitaev materials is governed by two dominant energy scales, the Ising-type Kitaev coupling 𝐾 and the symmetric off-diagonal Γ coupling. An understanding of the interplay between these two scales is therefore the natural starting point toward a quantitative description that includes subdominant perturbations that are inevitably present in real materials. This study focuses on the classical 𝐾−Γ model on the honeycomb lattice, with a specific emphasis on the region 𝐾< 0 and Γ > 0 , which is the most relevant for the available materials and which remains enigmatic in both quantum and classical limits, despite much effort. We employ large-scale Monte Carlo simulations on specially designed finite-size clusters and unravel the presence of a complex multisublattice magnetic order in a wide region of the phase diagram, whose structure is characterized in detail. We show that this order can be quantified in terms of a coarse-grained scalar-chirality order, featuring a counterrotating modulation on the two spin sublattices. Here, we also provide a comparison to previous studies and discuss the impact of quantum fluctuations on the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A Typology of Quantum-Classical Faults

This paper introduces an extended taxonomy of faults specific to hybrid quantum-classical systems, addressing the unique challenges that arise from integrating quantum accelerators into high-performance computing (HPC) infrastructures. Building on the foundational fault classification by Avizienis et al., we incorporate fault types unique to quantum computing-such as qubit decoherence, spontaneous gate errors, and photon loss-alongside traditional and human-induced faults including development errors, operational mistakes, and malicious attacks. Our taxonomy classifies faults by their origin (natural vs. human-made), intent (accidental, deliberate non-malicious, or malicious), system boundaries (internal vs. external), and persistence (transient to permanent). We also explore how different architectural integration patterns-ranging from tight coupling to loose on-premise and cloud-based configurations-shape the manifestation and propagation of faults. These scenarios are analyzed in terms of timing mismatches, interface inconsistencies, and security threats such as data tampering and denial-of-service attacks. Through this fault-centric lens, we aim to support the co-design of dependable quantum-classical systems and highlight the critical role that integration strategies play in ensuring reproducibility, resilience, and security across hybrid computing platforms.

Giusto, Edorado [University of Naples Federico II,↗
DOE OSTI2025

Regularizing least squares quantum state tomography with classical shadows

Classical shadows herald remarkable opportunities for resource-efficient quantum estimation. Although superficially disconnected from traditional inference methods, we show how classical shadows fit under a larger umbrella of least squares regularization, revealing tradeoffs with related methods.

Zhu, Zhihui [Ohio State University]↗
DOE OSTI2026

Temporal Coarse Graining for Classical Stochastic Noise in Quantum Systems

Simulations of quantum systems with Hamiltonian classical stochastic noise can be challenging when the noise exhibits temporal correlations over a multitude of time scales, such as for 1/f noise in solid-state quantum information processors. Here we present an approach for simulating Hamiltonian classical stochastic noise that performs temporal coarse-graining by effectively integrating out the high-frequency components of the noise. We focus on the case where the stochastic noise can be expressed as a sum of Ornstein-Uhlenbeck processes. Temporal coarse-graining is then achieved by conditioning the stochastic process on a coarse realization of the noise, expressing the conditioned stochastic process in terms of a sum of smooth, deterministic functions and bridge processes with boundaries fixed at zero, and performing the ensemble average over the bridge processes. For Ornstein-Uhlenbeck processes, the deterministic components capture all dependence on the coarse realization, and the stochastic bridge processes are not only independent but taken from the same distribution with correlators that can be expressed analytically, allowing the associated noise propagators to be precomputed once for all simulations. This combination of noise trajectories on a coarse time grid and ensemble averaging over bridge processes has practical advantages, such as a simple concatenation rule, that we highlight with numerical examples.

Albash, Tameem [Sandia National Lab. (SNL-NM), Alb↗
NASA NTRS1976

Kinetic theory of turbulent compressible flows and comparison with classical theory

A complete set of turbulent correlations is given in terms of expansion coefficients in a double series of Hermite polynomials of a two-particle correlation in phase space. Only two of these coefficients, corresponding to Reynolds stress and turbulent heat flux, are shown to appear in gasdynamic equations of turbulence. This is accomplished by incorporating the phase-space correlation in the collision integral of Boltzmann's equation and by deriving generalized Navier-Stokes and Fourier transport relations. In contrast to the classical formalism, the simple expression remains invariant in form whether the flow is compressible or not. Nevertheless, a bilinear transformation of fluctuating quantities shows that the two formalisms are identical with regard to terms of double correlations. The kinetic theory justifies nonexistence of the higher-order correlations characteristic of compressible-turbulence equations in the classical regime.

Tsuge, S.↗
NASA NTRS1979

Extensions to the classical calculation of the effect of mutual shadowing in diffuse reflection

The classical method for accounting for the mutual shadowing among closely packed particles in multiple scattering calculations is extended in the following ways. (1) By modeling the particle distribution by a Poisson process with a varying density parameter, a 'Van der Waals' type approximation allows extension to a greater fractional volume density, D. In this case it is only required that D squared be much less than 1 instead of D being much less than 1. (2) In the case that the particle distribution is not uniform the classical calculation may be weighted by the pair correlation function of the distribution. (3) The use of the Markov chain formalism for radiative transfer allows inclusion of the effect of shadowing for two orders of scattering. For conditions such as might apply in Saturn's rings, the inclusion of this effect makes less than a 0.1% difference in the calculated phase curves, compared to previous calculations which have included shadowing only in the first scattering. The latter are thus shown to be quite accurate.

Esposito, L. W.↗
NASA NTRS1981

Classical and modern control design of a speed-hold system for a STOL airplane

A speed-hold system for an experimental short takeoff and landing jet airplane has been designed using both classical root-locus and modern optimal control synthesis techniques. The purpose of the speed-hold system is to maintain airspeed during final approach in the presence of wind shears, gusts, engine failures, and pilot control inputs. Designs were based on using airspeed as a single measurement and two symmetrically deployed upper surface blown flaps as a single control. An optimal control law feeding back all the states and the integral of airspeed through constant gains provided superior performance in terms of speed tracking and control surface activity. However, when a constant-gain Kalman filter was inserted to estimate the states using only the measurement of airspeed, the performance of the optimal control law was reduced to the same as that of a much simpler classical proportional-path plus integral-path control law. To improve the performance of the optimal control law, additional measurements would be required.

Blight, J. D.↗
NASA NTRS1981

Modeling the formation of ion clusters by applying classical nucleation theory

Experiments have been conducted to study the clustering of atmospheric trace gases around ion cores (Castleman and Tang, 1972; Searcy and Fenn, 1974; Castleman, 1978). The classical liquid-drop model is used to investigate this ion-induced formation mechanism. Results obtained from models of the distribution of Pb(+)-(H2O)n and H(+)-(H2O)n type clusters under various conditions are compared with experimental results. The distribution of water-ion clusters in the atmosphere as a function of altitude is calculated. In situ measurements of the water-ion cluster distributions in the upper atmosphere are then compared with present predictions. It is concluded that the classical nucleation theory can be used to predict rough estimates for ion cluster sizes under many conditions.

Yue, G. K.↗
NASA NTRS1984

Long-period classical Cepheids - Theory versus observation

New full amplitude models of classical Cepheids having periods longer than 13 days have been calculated, allowing the complete systematics of the observed light and velocity curves of classical Cepheids to be discussed in detail. Assuming that a normal evolutionary mass-luminosity relation is obeyed, the models reproduce such empirical phenomena as the full Hertzsprung progression of light and velocity curves and the gradual shift in phase of the Hertzsprung bump, together with the persistence in phase of the postmaximum shoulder on the light curve. Also reproduced are the retardation of maximum expansion velocity after maximum light, the correlation of light and velocity amplitudes, and the period-amplitude scatter diagram for both the light and the velocity amplitude. The average period predicted for a Cepheid light curve type is noted to be about 40 percent longer than that actually observed.

Carson, T. R.↗
NASA NTRS1987

Applications of classical and zero-total-pressure-loss sets of Euler equations to delta wings

Classical and zero-total pressure-loss sets of Euler equations were applied to sharp- and round-edge delta wings. The origin of the total pressure was explained in the classical set. For sharp-edged delta wings, all sets of Euler equations produce the same separated flow solutions. For round-edged delta wings and for coarse grids, the solution depends on the level of dissipation, the accuracy of the surface boundary condition, and the type of Euler equations set. For round-edged delta wings and for fine grids, attached flow solutions are obtained. Also presented were three dimensional flow solutions and asymmetric flow solutions including unsteady flow for sharp-edged delta wings. Euler equations should be restricted to sharp-edged wings for real flow solutions. For roung-edged wings, Navier-Stokes equations must be used.

Kandil, Osama A.↗
NASA NTRS1986

Classical novae detected in the IRAS survey

Of the four classical novae presently identified as having accurately known optical positions with counterparts in the IRAS Point Source Catalog, two correspond to events observed by IRAS within one year of their respective optical maxima; these are noted to be the first classical novae detected at IR wavelengths longer than 20 microns. The novae are Sgr 1982, Mus 1983, FH Ser (1970) and HR Del (1967), of which the latter two were also detected by IRAS. Mus 1983 is noted to have IR emission characteristics that are consistent with a free-free spectrum, as opposed to dust emission. The behavior of this and the Sgr 1982 nova is consistent with a previously suggested correlation between the inferred mass of heated dust and luminosity/speed class.

Dinerstein, Harriet L.↗
NASA NTRS1988

Geometric angles in cyclic evolutions of a classical system

A perturbative method, using Lie transforms, is given for calculating the Hannay angle for slow, cyclic evolutions of a classical system, taking into account the finite rate of change of the Hamiltonian. The method is applied to the generalized harmonic oscillator. The classical Aharonov-Anandan angle is also calculated. The interpretational ambiguity in the definitions of geometrical angles is discussed.

Bhattacharjee, A.↗