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At least 109 records · Page 6

Cement stress and microstructure evolution during curing in semi-rigid high-pressure environments

The process of cement slurry curing into a solid has a direct effect on the initial state of stress in a composite concrete and steel structure. Failure models for critical infrastructure and wellbores could benefit from measurements of this initial stress because it greatly influences structural performance. Here, we present measurements of the initial stress state (total stress, effective stress, and pore pressure) of multiple cement formulations cured under a high-pressure of 40 MPa within a semi-rigid steel pipe. Our results show that cements cured in this restrained environment exhibit dense microstructures with low permeability (nano-Darcy), develop an anisotropic stress state greater than zero and less than the curing pressure, and undergo a staged curing process where hydration and mechanical behaviors evolve from a slurry into a pre-stressed porous medium. Both drained and undrained scenarios were investigated, revealing a feedback from the semi-rigid boundary towards improved cement performance.

36 MATERIALS SCIENCE↗

Beam energy dependence of the linear and mode-coupled flow harmonics in Au+Au collisions

The linear and mode-coupled contributions to higher-order anisotropic flow are presented for Au+Au collisions at √ S NN = 27, 39, 54.4, and 200 GeV and compared to similar measurements for Pb+Pb collisions at the Large Hadron Collider (LHC). The coefficients and the flow harmonics' correlations, which characterize the linear and mode-coupled response to the lower-order anisotropies, indicate a beam energy dependence consistent with an influence from the specific shear viscosity (η/s). In contrast, the dimensionless coefficients, mode-coupled response coefficients, and normalized symmetric cumulants are approximately beam-energy independent, consistent with a significant role from initial-state effects. These measurements could provide unique supplemental constraints to (i) distinguish between different initial-state models and (ii) delineate the temperature (T) and baryon chemical potential (μ B ) dependence of the specific shear viscosity η/s(T, μ B ).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Monthly mean simulation experiments with a course-mesh global atmospheric model

Substitution of observed monthly mean sea-surface temperatures (SSTs) as lower boundary conditions, in place of climatological SSTs, failed to improve the model simulations. While the impact of SST anomalies on the model output is greater at sea level than at upper levels the impact on the monthly mean simulations is not beneficial at any level. Shifts of one and two days in initialization time produced small, but non-trivial, changes in the model-generated monthly mean synoptic fields. No improvements in the mean simulations resulted from the use of either time-averaged initial data or re-initialization with time-averaged early model output. The noise level of the model, as determined from a multiple initial state perturbation experiment, was found to be generally low, but with a noisier response to initial state errors in high latitudes than the tropics.

Spar, J.↗

The Importance of Semi-Major Axis Knowledge in the Determination of Near-Circular Orbits

Modem orbit determination has mostly been accomplished using Cartesian coordinates. This usage has carried over in recent years to the use of GPS for satellite orbit determination. The unprecedented positioning accuracy of GPS has tended to focus attention more on the system's capability to locate the spacecraft's location at a particular epoch than on its accuracy in determination of the orbit, per se. As is well-known, the latter depends on a coordinated knowledge of position, velocity, and the correlation between their errors. Failure to determine a properly coordinated position/velocity state vector at a given epoch can lead to an epoch state that does not propagate well, and/or may not be usable for the execution of orbit adjustment maneuvers. For the quite common case of near-circular orbits, the degree to which position and velocity estimates are properly coordinated is largely captured by the error in semi-major axis (SMA) they jointly produce. Figure 1 depicts the relationships among radius error, speed error, and their correlation which exist for a typical low altitude Earth orbit. Two familiar consequences are the relationship Figure 1 shows are the following: (1) downrange position error grows at the per orbit rate of 3(pi) times the SMA error; (2) a velocity change imparted to the orbit will have an error of (pi) divided by the orbit period times the SMA error. A less familiar consequence occurs in the problem of initializing the covariance matrix for a sequential orbit determination filter. An initial covariance consistent with orbital dynamics should be used if the covariance is to propagate well. Properly accounting for the SMA error of the initial state in the construction of the initial covariance accomplishes half of this objective, by specifying the partition of the covariance corresponding to down-track position and radial velocity errors. The remainder of the in-plane covariance partition may be specified in terms of the flight path angle error of the initial state. Figure 2 illustrates the effect of properly and not properly initializing a covariance. This figure was produced by propagating the covariance shown on the plot, without process noise, in a circular low Earth orbit whose period is 5828.5 seconds. The upper subplot, in which the proper relationships among position, velocity, and their correlation has been used, shows overall error growth, in terms of the standard deviations of the inertial position coordinates, of about half of the lower subplot, whose initial covariance was based on other considerations.

Carpenter, J. Russell↗

A m-ary linear feedback shift register with binary logic

A family of m-ary linear feedback shift registers with binary logic is disclosed. Each m-ary linear feedback shift register with binary logic generates a binary representation of a nonbinary recurring sequence, producible with a m-ary linear feedback shift register without binary logic in which m is greater than 2. The state table of a m-ary linear feedback shift register without binary logic, utilizing sum modulo m feedback, is first tubulated for a given initial state. The entries in the state table are coded in binary and the binary entries are used to set the initial states of the stages of a plurality of binary shift registers. A single feedback logic unit is employed which provides a separate feedback binary digit to each binary register as a function of the states of corresponding stages of the binary registers.

Perlman, M.↗

State-Selective Double Photoionization of Atomic Carbon and Neon

Double photoionization (DPI) allows for a sensitive and direct probe of electron correlation, which governs the structure of all matter. For atoms, much of the work in theory and experiment that informs our fullest understanding of this process has been conducted on helium, and efforts continue to explore many-electron targets with the same level of detail to understand the angular distributions of the ejected electrons in full dimensionality. Expanding on previous results, we consider here the double photoionization of two 2p valence electrons of atomic carbon and neon and explore the possible continuum states that are connected by dipole selection rules to the coupling of the outgoing electrons in 3P, 1D, and 1S initial states of the target atoms. Carbon and neon share these possible symmetries for the coupling of their valence electrons. Results are presented for the energy-sharing single differential cross section (SDCS) and triple differential cross section (TDCS), further elucidating the impact of the initial state symmetry in determining the angular distributions that are impacted by the correlation that drives the DPI process.

Yip, Frank L. (ORCID:000000025409495X)↗

Fragment-based initialization for quantum subspace methods

Here, we present a novel quantum-classical algorithm called LAS-QKSD for multireference systems, by combining a classical localized active space (LAS) fragment-based multireference algorithm with the quantum Krylov subspace diagonalization (QKSD) method for quantum computers. The algorithm uses wave function information from a LAS self-consistent field (LASSCF) calculation to prepare an initial state with better overlap with the target ground state than the Hartree-Fock state. This is coupled with the use of QKSD to ultimately converge to the exact energy, providing faster convergence than starting from the Hartree-Fock state. Fragmentation has the two-fold benefit of fewer configurations on the classical side of the algorithm as well as fewer state preparation gates on the quantum side. First, we compare the LAS-QKSD method to the classical LASSCF method and to QKSD with a Hartree-Fock initial state. We then examine ways to load the LASSCF wave function using direct initialization and a QKSD-motivated spectral filtering approach. Finally, using a bimetallic complex, we show that the LAS-QKSD method is an efficient alternative to highly expensive complete active space SCF (CASSCF) calculations on strongly correlated systems.

D'Cunha, Ruhee↗

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for these types of calculations. Here we describe a recently developed technique, the finite element Z-matrix method, Analogous to the R-matrix, method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics, the Z-matrix method is fully variational. In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A3Su+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N2, and to the lowest two limits in the case of CF. For N2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X1 Sg+ state, but direct dissociation appears to be preferable if the initial state is the A3Su+ state. Multi-configuration SCF target functions are used in the collisional calculation.

Huo, Winifred M.↗

Photon pumping in a weakly-driven quantum cavity–spin system

Highlights: • We study photon frequency conversion in a driven spin coupled to a cavity mode. • Quantized frequency conversion is excpected in the strong-drive adiabatic limit. • A new photon pumping effect is established in the accessible weak drive regime. • Pumping is linked to the delocalization of the corresponding Floquet states. • Quantum coherence is preserved in both the strong and ultraweak-drive limits. We investigate the photon pumping effect in a topological model consisting of a periodically driven spin-1/2 coupled to a quantum cavity mode out of the adiabatic limit. In the strong-drive adiabatic limit, a quantized frequency conversion of photons is expected as the temporal analog of the Hall current. We numerically establish a novel photon pumping phenomenon in the experimentally accessible nonadiabatic driving regime for a broad region of the parameter space. The photon frequency conversion efficiency exhibits strong fluctuations and high efficiency that can reach up 80% of the quantized value for commensurate frequency combinations. We link the pumping properties to the delocalization of the corresponding Floquet states which display multifractal behavior as the result of hybridization between localized and delocalized sectors. Finally we demonstrate that the quantum coherence properties of the initial state are preserved during the frequency conversion process in both the strong and ultra-weak-drive limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Collisions and merging of disk galaxies

The stable disks required as initial states for an experiment are produced by embedding the disk (which is visible) in a halo (invisible). The disk is a luminous tracer that represents only 1 percent of the total mass of the system. The stability of the initial state of the model is confirmed experimentally. Collisions with various combinations of initial orbital energy and angular momentum and of disk orientations are investigated. Two initially parabolic cases with different impact parameters are followed in time until the interactions lead to a merger. The interpenetration of the two galaxies gives rise to a contraction and subsequent disruption of the entire system. A variety of responses is found for the visible disks, ranging from stretched-out nearly linear features to rapidly propagating ringlike patterns. It is noted that these forms depend critically on initial disk orientations but do not depend strongly on the sense of disk rotation. The ringlike patterns are found even for collisions with significant impact parameters.

Smith, B. F.↗

First high-resolution γ-ray spectroscopy of 41 Si

The first high-resolution in-beam γ -ray spectroscopy is reported for the neutron-rich nucleus 41 Si, a tenant of the N = 28 island of inversion. Excited states were populated in the direct one-proton removal reaction from 42 P projectiles and pn removal from 43 P. Seven γ-ray transitions were observed, only one of which had been reported previously in the literature. Furthermore, this makes 41 Si the most neutron-rich odd-even N = 27 isotone with high-resolution excited-state information. For the one-proton removal, the measured partial cross-section distribution to all observed bound final states is contrasted with results from direct one-proton removal calculations that combine eikonal reaction dynamics with SDPF-MU shell-model spectroscopic factors and assume various possible initial states for the poorly known 42 P projectile. Rather distinct calculated cross-section distributions emerge that, in comparison to the new data, imply that the initial state in 42 P is most likely 3 – or 2 – rather than 1 – or 0 – , the predicted shell-model ground state of 42 P. It is further shown that the level scheme from the novel VS-IMSRG calculation closely agrees with the one of SDPF-MU, the most successful phenomenological shell-model effective interaction in describing the much discussed neighboring isotope 42 Si, perhaps cross-validating these complementary approaches on the quest to model rapid shell evolution away from the valley of β stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simulation of adiabatic quantum computing for molecular ground states

Quantum computation promises to provide substantial speedups in many practical applications with a particularly exciting one being the simulation of quantum many-body systems. Adiabatic state preparation (ASP) is one way that quantum computers could recreate and simulate the ground state of a physical system. In this paper, we explore a novel approach for classically simulating the time dynamics of ASP with high accuracy and with only modest computational resources via an adaptive sampling configuration interaction scheme for truncating the Hilbert space to only the most important determinants. We verify that this truncation introduces negligible error and use this new approach to simulate ASP for sets of small molecular systems and Hubbard models. Furthermore, we examine two approaches to speeding up ASP when performed on quantum hardware: (i) using the complete active space configuration interaction (CASCI) wave function instead of the Hartree–Fock initial state and (ii) a nonlinear interpolation between the initial and target Hamiltonians. We find that starting with a CASCI wave function with a limited active space yields substantial speedups for many of the systems examined, while nonlinear interpolation does not. In additional, we observe interesting trends in the minimum gap location (based on the initial state) as well as how state preparation time can depend on certain molecular properties, such as the number of valence electrons. Importantly, we find that the required state preparation times do not show an immediate exponential wall that would preclude an efficient run of ASP on actual hardware.

Kremenetski, Vladimir↗

Vibration-translation energy transfer in anharmonic diatomic molecules. 2: The vibrational quantum number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom was used to predict the variation of thermally averaged vibration-translation rate coefficients with temperature and initial-state quantum number. Multiple oscillator states were included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model was also used as a basis for evaluating several less complete but analytic models. Two computationally simple analytic approximations were found that successfully reproduced the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations were also identified. The relative rates of multiple-quantum transitions from excited states were evaluated for several molecular types.

Mckenzie, R. L.↗

Vibration-translation energy transfer in anharmonic diatomic molecules. II - The vibrational quantum-number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom is used to predict the variation of thermally averaged vibrational-translational rate coefficients with temperature and initial-state quantum number. Multiple oscillator states are included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model is also used as a basis for evaluating several less complete, but analytic, models. Two computationally simple analytic approximations are found that successfully reproduce the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations are identified, and the relative rates of multiple-quantum transitions from excited states are evaluated for several molecular types.

Mckenzie, R. L.↗

Soft-hard framework with exact four-momentum conservation for small systems

A new framework, called x-scape, for the combined study of both hard and soft transverse momentum sectors in high-energy proton-proton (𝑝−𝑝) and proton-nucleus (𝑝−𝐴) collisions is set up. A dynamical initial state is set up using the 3d-Glauber model with transverse locations of hotspots within each incoming nucleon. A hard scattering that emanates from two colliding hotspots is carried out using the Pythia generator. Initial state radiation from the incoming hard partons is carried out in a new module called I-matter, which includes the longitudinal location of initial splits. The energy-momentum of both the initial hard partons and their associated beam remnants is removed from the hot spots, depleting the energy-momentum available for the formation of the bulk medium. Outgoing showers are simulated using the matter generator, and results are presented for both cases, allowing for and not allowing for energy loss. First comparisons between this hard-soft model and single inclusive hadron and jet data from 𝑝−𝑝 and minimum bias 𝑝−Pb collisions are presented. Single hadron spectra in 𝑝−𝑝 are used to carry out a limited (in number of parameters) Bayesian calibration of the model. Fair comparisons with data are indicative of the utility of this new framework. Theoretical studies of the correlation between jet 𝑝 𝑇 and event activity at mid and forward rapidity are carried out.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Detecting Spin-Bath Polarization with Quantum Quench Phase Shifts of Single Spins in Diamond

Single-qubit sensing protocols can be used to measure qubit-bath coupling parameters. However, for sufficiently large coupling, the sensing protocol itself perturbs the bath, which is predicted to result in a characteristic response in the sensing measurements. Here, we observe this bath perturbation, also known as a quantum quench, by preparing the nuclear spin bath of a nitrogen-vacancy (NV) center in polarized initial states and performing phase-resolved spin-echo measurements on the NV electron spin. These measurements reveal a time-dependent phase determined by the initial state of the bath. We derive the relationship between the sensor phase and the Gaussian spin-bath polarization and apply it to reconstruct both the axial and transverse polarization components. Using this insight, we optimize the transfer efficiency of our dynamic nuclear polarization sequence. This technique for directly measuring bath polarization may assist in preparing high-fidelity quantum memory states, improving nanoscale NMR methods, and investigating non-Gaussian quantum baths.

36 MATERIALS SCIENCE↗

Optimization performance, fidelity, and cost: SIAM VQE

This dataset contains files storing results from classically-simulated quantum subroutines within a dynamical mean-field theory workflow, and jupyter notebooks processing the data in these files to generate plots. The files store: (1) Results from variational quantum eigensolver (VQE) simulations searching for optimal parameters allowing parametrized quantum circuits to prepare approximations to ground states of different Anderson impurity models (AIMs) (2) Results from simulations of a quantum Lanczos algorithm (QLA) estimating the Lanczos coefficients defining the continued-fraction representation of an (AIM) Green’s function Description: Any file named vqe_gs_results* stores approximations to the ground state and energy of a given AIM estimated using three different methods: (1) Numerical diagonalization (2) Ideal VQE simulation (3) VQE simulation with sampling noise For each VQE simulations metadata about the optimization (optimization results plus number of quantum circuits that would have been executed on real hardware) is also stored. Any file named qla_dos_results* estimations for the Lanczos coefficients defining the Green’s function of an AIM. The stored estimations are achieved using different methods: (1) Numerical Lanczos algorithm from initial states obtained from numerical diagonalization (2) Simulated quantum Lanczos algorithm from initial states prepared from parametrized quantum circuits yielded by corresponding ideal and noisy VQE subroutines. The dataset is used and described in M. Karabin et al., "Quantum solver for single-impurity Anderson models with particle-hole symmetry", Phys. Rev. Research 8, 033066 (2026). DOI: https://doi.org/10.1103/7ys3-tl4l

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gravity flow of powder in a lunar environment. Part 2: Analysis of flow initiation

A small displacement-small strain finite element technique utilizing the constant strain triangle and incremental constitutive equations for elasticplastic (media nonhardening and obeying a Coulomb yield condition) was applied to the analysis of gravity flow initiation. This was done in a V-shaped hopper containing a powder under lunar environmental conditions. Three methods of loading were examined. Of the three, the method of computing the initial state of stress in a filled hopper prior to drawdown, by adding material to the hopper layer by layer, was the best. Results of the analysis of a typical hopper problem show that the initial state of stress, the elastic moduli, and the strength parameters have an important influence on material response subsequent to the opening of the hopper outlet.

Pariseau, W. G.↗