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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Search for Θ+ in KLp→K+n reaction in KLF at JLab

The possibility of the existence of multiquark hadrons made of 4-quarks for mesons and 5-quarks for baryons was predicted by Gell-Mann [Phys. Lett. 8, 214 (1964)]. The renewed interest for the search for exotic pentaquark states was initiated by the paper by Diakonov, Petrov, and Polyakov [Z. Phys. A 359, 305 (1997)]. The 2003 experimental reports on the observation of [Formula: see text] pentaquark with [Formula: see text] quark content created a great excitement and many following experiments have reported its observation [K. H. Hicks, Eur. Phys. J. H 37, 1 (2012)]. After high-statistics experiments at JLab, which did not confirm previous claims by the CLAS collaboration, the community concluded that the [Formula: see text] pentaquark either does not exist at all or has an extremely small cross-section, making it currently unobserved. There were different review papers on this subject, questioning the existence of [Formula: see text] or trying to explain the reasons why reaching a conclusion based on production experiments is challenging [M. Amaryan, Eur. Phys. J. Plus 137, 684 (2022)]. To address the challenge of minimal 3-body final states, a formation experiment with a projectile-kaon beam is proposed. In the following, we discuss how the [Formula: see text] could be observed in the [Formula: see text] reaction in the KLF experiment at JLab [M. Amaryan et al. [KLF Collaboration], arXiv:2008.08215 [nucl-ex]].

Astronomy & Astrophysics↗
DOE OSTI2020

Partition functions of $\mathcal{N}$ = 1 gauge theories on S 2 × $\mathbb{R}_ε^2$ and duality

We compute the partition functions of [Formula: see text] gauge theories on [Formula: see text] using supersymmetric localization. The path integral reduces to a sum over vortices at the poles of [Formula: see text] and at the origin of [Formula: see text]. The exact partition functions allow us to test Seiberg duality beyond the supersymmetric index. We propose the [Formula: see text] partition functions on the [Formula: see text]-background, and show that the Nekrasov partition functions can be recovered from these building blocks.

Physics↗
DOE OSTI2021

Entanglement minimization in hadronic scattering with pions

Recent work [S. R. Beane, D. B. Kaplan, N. Klco and M. J. Savage, Phys. Rev. Lett. 122, 102001 (2019), arXiv:1812.03138.] conjectured that entanglement is minimized in low-energy hadronic scattering processes. It was shown that the minimization of the entanglement power (EP) of the low-energy baryon–baryon [Formula: see text]-matrix implies novel spin–flavor symmetries that are distinct from large-[Formula: see text] QCD predictions and are confirmed by high-precision lattice QCD simulations. Here, the conjecture of minimal entanglement is investigated for scattering processes involving pions and nucleons. The EP of the [Formula: see text]-matrix is constructed for the [Formula: see text] and [Formula: see text] systems, and the consequences of minimization of entanglement are discussed and compared with large-[Formula: see text] QCD expectations.

Physics↗
DOE OSTI2023

A solvable quantum field theory with asymptotic freedom in (3+1) dimensions

Recently, Ai, Bender and Sarkar gave a prescription on how to obtain [Formula: see text]-symmetric field theory results from an analytic continuation of Hermitian field theories. We perform this analytic continuation for the massless (critical) [Formula: see text] model with quartic interaction in (3+1) dimensions. In the large-[Formula: see text] limit, this theory is exactly solvable, and has negative [Formula: see text]-function in the ultraviolet, and a stable bound state in the infrared. The coupling diverges at a scale [Formula: see text], but can be continued into the far infrared. At finite temperature, the theory exhibits two phases separated by a second-order phase transition near [Formula: see text].

Physics↗
DOE OSTI2020

Refined large N duality for knots

We formulate large [Formula: see text] duality of [Formula: see text] refined Chern–Simons theory with a torus knot/link in [Formula: see text]. By studying refined BPS states in M-theory, we provide the explicit form of low-energy effective actions of Type IIA string theory with D4-branes on the [Formula: see text]-background. This form enables us to relate refined Chern–Simons invariants of a torus knot/link in [Formula: see text] to refined BPS invariants in the resolved conifold. Assuming that the extra [Formula: see text] global symmetry acts on BPS states trivially, the duality predicts graded dimensions of cohomology groups of moduli spaces of M2–M5 bound states associated to a torus knot/link in the resolved conifold. Thus, this formulation can be also interpreted as a positivity conjecture of refined Chern–Simons invariants of torus knots/links. We also discuss about an extension to non-torus knots.

Mathematics↗
DOE OSTI2024

High-Order Wall-Modeled Large-Eddy Simulation of High-Lift Configuration

This paper presents the assessment of several recent enhancements for a high-order wall-modeled large-eddy simulation (WMLES) approach and demonstrates order independence with a fixed data exchange location in the wall model. The two enhancements include the use of isotropic tetrahedral elements to improve accuracy and an explicit subgrid-scale model, the Vreman model, to improve accuracy and robustness. The [Formula: see text] study focused on the high-lift Common Research Model (HL-CRM) at the angle of attack of 19.57 deg, a benchmark problem from the 4th AIAA High-Lift Prediction Workshop. Solution polynomial orders of [Formula: see text], and 5 were used in the study. The study demonstrated [Formula: see text] independence in integrated forces, pitch moment, velocity profile in the wall-normal direction, and surface flow topology. It also showed that a [Formula: see text] order of at least 3 ([Formula: see text]) was needed to correctly predict the external inviscid flow and the surface flow topology. Thereafter, [Formula: see text] simulations over several other angles of attack demonstrated that the high-order WMLES approach can correctly predict the maximum lift and flow separation regions for HL-CRM with about 40 million degrees of freedom (DOF) compared to at least 250 million DOF required by second-order methods.

Engineering↗
DOE OSTI2023

Solid-state crystallization of metal organic frameworks within mesoporous materials methods and hybrid materials thereof

A method, comprising i) contacting an aqueous solution of an organic ligand salt of the formula A X (L −X ) with a mesoporous material (MPM) to form an impregnated mesoporous salt material of the formula A X (L −X )/MPM, ii) treating the impregnated mesoporous salt material with an aqueous acidic solution to form an impregnated mesoporous acid material of the formula H X (L −X )/MPM, iii) contacting an aqueous solution of a metal precursor of the formula M +y (B)y with the impregnated mesoporous acid material to form an impregnated mesoporous metal organic framework precursor of the formula [M +y (B) y ][H x (L −x )]/MPM, and iv) at least one of 1) heating the impregnated mesoporous metal organic framework precursor in the absence of a solvent or 2) exposing the impregnated mesoporous metal organic framework precursor to a volatile vapor in the absence of a solvent such that the heating or the exposing forms a hybrid material of the formula (M +y L −x )/MPM, wherein the hybrid material comprises a nano-crystalline metal organic framework (MOF) embedded within the mesoporous material.

Minguez, Ignacio Luz↗
DOE OSTI2022

High-resolution ultra-low field magnetic resonance imaging with a high-sensitivity sensing coil

We present high-resolution magnetic resonance imaging (MRI) at ultra-low field (ULF) with a proton Larmor frequency of around 120 kHz. The key element is a specially designed high-sensitivity sensing coil in the shape of a solenoid with a few millimeter gap between windings to decrease the proximity effect and, hence, increase the coil’s quality ([Formula: see text]) factor and sensitivity. External noise is strongly suppressed by enclosing the sensing coil in a copper cylindrical shield, large enough not to negatively affect the coil’s [Formula: see text] factor and sensitivity, measured to be 217 and 0.47 fT/Hz[Formula: see text], respectively. To enhance small polarization of proton spins at ULF, a strong pulsed 0.1 T prepolarization field is applied, making the signal-to-noise ratio (SNR) of ULF MRI sufficient for high-quality imaging in a short time. We demonstrate ULF MRI of a copper sulfate solution phantom with a resolution of [Formula: see text] and SNR of 10. The acquisition time is 6.3 min without averaging. The sensing coil size in the current realization can accommodate imaging objects of 9 cm in size, sufficient for hand, and it can be further increased for human head imaging in the future. Since the in-plane resolution of [Formula: see text] is typical in anatomical medical imaging, this ULF MRI method can be an alternative low-cost, rapid, portable method for anatomical medical imaging of the human body or animals. This ULF MRI method can supplement other MRI methods, especially when such methods are restricted due to high cost, portability requirement, imaging artifacts, and other factors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Rigorous justification for the space–split sensitivity algorithm to compute linear response in Anosov systems

Ruelle gave a formula for linear response of transitive Anosov diffeomorphisms. Recently, practically computable realizations of Ruelle's formula have emerged that potentially enable sensitivity analysis of certain high-dimensional chaotic numerical simulations encountered in the applied sciences. In this paper, we provide full mathematical justification for the convergence of one such efficient computation, the space–split sensitivity, or S3, algorithm. In S3, Ruelle's formula is computed as a sum of two terms obtained by decomposing the perturbation vector field into a coboundary and a remainder that is parallel to the unstable direction. Such a decomposition results in a splitting of Ruelle's formula that is amenable to efficient computation. Here, we prove the existence of the S3 decomposition and the convergence of the computations of both resulting components of Ruelle's formula.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The optimal beam-loading in two-bunch nonlinear plasma wakefield accelerators

Abstract Due to the highly nonlinear nature of the beam-loading, it is currently not possible to analytically determine the beam parameters needed in a two-bunch plasma wakefield accelerator for maintaining a low energy spread. Therefore in this paper, by using the Broyden–Fletcher–Goldfarb–Shanno algorithm for the parameter scanning with the code QuickPIC and the polynomial regression together with k -fold cross-validation method, we obtain two fitting formulas for calculating the parameters of tri-Gaussian electron beams when minimizing the energy spread based on the beam-loading effect in a nonlinear plasma wakefield accelerator. One formula allows the optimization of the normalized charge per unit length of a trailing beam to achieve the minimal energy spread, i.e. the optimal beam-loading. The other one directly gives the transformer ratio when the trailing beam achieves the optimal beam-loading. A simple scaling law for charges of drive beams and trailing beams is obtained from the fitting formula, which indicates that the optimal beam-loading is always achieved for a given charge ratio of the two beams when the length and separation of two beams and the plasma density are fixed. The formulas can also help obtain the optimal plasma densities for the maximum accelerated charge and the maximum acceleration efficiency under the optimal beam-loading respectively. These two fitting formulas will significantly enhance the efficiency for designing and optimizing a two-bunch plasma wakefield acceleration stage.

Physics↗
DOE OSTI2025

Exponentially Reduced Circuit Depths Using Trotter Error Mitigation

Product formulas are a popular class of digital quantum simulation algorithms due to their conceptual simplicity, low overhead, and performance, which often exceeds theoretical expectations. Recently, Richardson extrapolation and polynomial interpolation have been proposed to mitigate the Trotter error incurred by the use of these formulas. This work provides a rigorous, general analysis of these techniques for computing time-evolved observables, simplifying the interpolation algorithm in the process, and shows that extrapolation generically improves the performance of product formulas for this task. We demonstrate that, to achieve error 𝜖 in a simulation of time 𝑇 using a 𝑝 ⁢th-order product formula with extrapolation, circuit depths of 𝑂⁡(𝑇 1+1/𝑝 ⁢polylog (1/𝜖)) are sufficient—an exponential improvement in the precision over product formulas alone. Furthermore, we prove that these algorithms achieve commutator scaling, and improve the 𝑇 complexity for the interpolation algorithm. By relaxing the requirement of performing exact Chebyshev interpolation, our simplified algorithm eliminates the need for fractional implementations of Trotter steps, reducing computational overhead. Finally, we show these techniques can be combined with the classical shadows method to estimate many time-evolved local observables. Taken together, our findings provide the strongest evidence yet for the utility of Trotter error-mitigation techniques in algorithmic applications.

quantum algorithms & computation↗
DOE OSTI2023

Drude weights in one-dimensional systems with a single defect

Ballistic transport of a quantum system can be characterized by Drude weight, which quantifies the response of the system to a uniform electric field in the infinitely long timescale. The Drude weight is often discussed in terms of the Kohn formula, which gives the Drude weight by the derivative of the energy eigenvalue of a finite-size system with the periodic boundary condition in terms of the Aharonov-Bohm flux. Recently, the Kohn formula is generalized to nonlinear responses. However, the nonlinear Drude weight determined by the Kohn formula often diverges in the thermodynamic limit. In order to elucidate the issue, in this work we examine a simple example of a one-dimensional tight-binding model in the presence of a single defect at zero temperature. We find that its linear and nonlinear Drude weights given by the Kohn formula (i) depend on the Aharonov-Bohm flux and (ii) diverge proportionally to a power of the system size. Here, we argue that the problem can be attributed to different order of limits. The Drude weight according to the Kohn formula (“Kohn-Drude weight”) indicates the response of a finite-size system to an adiabatic insertion of the Aharonov-Bohm flux. While it is a well-defined physical quantity for a finite-size system, its thermodynamic limit does not always describe the ballistic transport of the bulk. The latter should be rather characterized by a “bulk Drude weight” defined by taking the thermodynamic limit first before the zero-frequency limit. While the potential issue of the order of limits has been sometimes discussed within the linear response, the discrepancy between the two limits is amplified in nonlinear Drude weights. We demonstrate the importance of the low-energy excitations of O(1/L), which are excluded from the Kohn-Drude weight, in regularizing the bulk Drude weight.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Extracting the Quantum Hall Conductance from a Single Bulk Wave Function

In this work, we propose a new formula that extracts the quantum Hall conductance from a single (2+1)⁢ D gapped wave function. The formula applies to general many-body systems that conserve particle number, and is based on the concept of modular flow, i.e., unitary dynamics generated from the entanglement structure of the wave function. The formula is shown to satisfy all formal properties of the Hall conductance: it is odd under time reversal and reflection, even under charge conjugation, universal and topologically rigid in the thermodynamic limit. Further evidence for relating the formula to the Hall conductance is obtained from conformal field theory arguments. Finally, we numerically check the formula by applying it to a noninteracting Chern band where excellent agreement is obtained.

2-dimensional systems↗
DOE OSTI2021

Theory of Trotter Error with Commutator Scaling

The Lie-Trotter formula, together with its higher-order generalizations, provides a simple approach to decomposing the exponential of a sum of operators. Despite significant effort, the error scaling of such product formulas remains poorly understood. We develop a theory of Trotter error that overcomes the limitations of truncating the Baker-Campbell-Hausdorff expansion. Our analysis directly exploits the commutativity of operator summands, producing tighter error bounds for both real- and imaginary-time evolutions. Whereas previous work achieves similar goals for systems with geometric locality or Lie-algebraic structure, our approach holds in general. We give a host of improved algorithms for digital quantum simulation and quantum Monte Carlo methods, nearly matching or even outperforming the best previous results. Our applications include: (i) a simulation of second-quantized plane-wave electronic structure, nearly matching the interaction-picture algorithm of Low and Wiebe; (ii) a simulation of $k$-local Hamiltonians almost with induced one-norm scaling, faster than the qubitization algorithm of Low and Chuang; (iii) a simulation of rapidly decaying power-law interactions, outperforming the Lieb-Robinson-based approach of Tran et al.; (iv) a hybrid simulation of clustered Hamiltonians, dramatically improving the result of Peng, Harrow, Ozols, and Wu; and (v) quantum Monte Carlo simulations of the transverse field Ising model and quantum ferromagnets, tightening previous analyses of Bravyi and Gosset. We obtain further speedups using the fact that product formulas can preserve the locality of the simulated system. Specifically, we show that local observables can be simulated with complexity independent of the system size for power-law interacting systems, which implies a Lieb-Robinson bound nearly matching a recent result of Tran et al. Our analysis reproduces known tight bounds for first- and second-order formulas. We further investigate the tightness of our bounds for higher-order formulas. For quantum simulation of a one-dimensional Heisenberg model with an even-odd ordering of terms, our result overestimates the complexity by only a factor of $5$. Our bound is also close to tight for power-law interactions and other orderings of terms. This suggests that our theory can accurately characterize Trotter error in terms of both the asymptotic scaling and the constant prefactor.

quantum computing, numerical analysis↗
DOE OSTI2021

Characterization of an electrically conductive proppant for fracture diagnostics

Fracture diagnosis with electromagnetic (EM) and electrical tools requires proppants with high electrical conductivity and mechanical strength. Lab measurements of the electrical and hydraulic conductivity of proppants are critical for selecting the best candidates. Such measurements greatly benefit simulations, field tests, and the ultimate application of such proppants in the field. To that end, a new lab protocol is developed for measuring the electrical and hydraulic conductivity of proppants. The lab setup, which mainly includes a resistivity core holder and a Hassler sleeve core holder, allows for simulation of realistic pressure and temperature conditions when making measurements. Petroleum coke (PC) is proposed as a candidate proppant because of its widespread availability and low cost. Lab measurements show that the effective electrical conductivity of pure PC in a model fracture is approximately 5000 S/m, under a closure stress greater than [Formula: see text] (4000 psi). When PC is mixed with sand, the effective electrical conductivity of the mixture decreases with an increasing weight percentage of sand. Although sand degrades the contact between PC particles, the electrical conductivity stays reasonably high (approximately 1700 S/m) when 50% sand is added. Hydraulic conductivity measurements show that when a fracture is propped with pure PC, the measured fracture conductivity is greater than [Formula: see text] ([Formula: see text]) (dimensionless fracture conductivity greater than 100 for a shale with [Formula: see text] or 100 nD permeability) under a confining pressure of [Formula: see text] (6000 psi). This means that a fracture propped with PC is infinitely conductive in a typical shale formation. When sand is added, the fracture’s hydraulic conductivity becomes even higher, which clearly shows PC’s ability of sustaining high stresses. The proposed protocol provides a robust and effective method that can be generalized for lab testing for other candidate proppants. The data presented clearly show that PC has the potential for field-scale applications in EM hydraulic fracture diagnostics.

Geochemistry & Geophysics↗
DOE OSTI2023

(U) A General-Purpose Code for Correlated Sampling Using Batch Statistics with MCNP6 for Fixed-Source Problems

Correlated sampling can be used to reduce the uncertainty of a difference of tallies by taking advantage of the negative covariance term in the sandwich formula. Booth first showed how correlated sampling can be applied with batch statistics using MCNP’s tally fluctuation chart (TFC) to reduce the uncertainty of a difference of tallies in fixed-source problems. Booth presented a problem in which a 1273% uncertainty in a difference was reduced to 8% by accounting for correlations. Researchers He and Su recently studied correlated sampling using the TFC in MCNP version 5. They determined that the code did not print enough digits in the TFC tally means for accurate batch statistics in some cases. After modifying the source code, they concluded that “correlated sampling can yield a standard deviation of about one magnitude smaller than that predicted by the direct, un-correlated simulation when the changes in system response are small (say about 1%), which is equivalent to saving in CPU time by a factor of 100. Such saving [sic] becomes less significant as the change in system response becomes larger.” He and Su provided the formulas needed to apply batch statistics to compute the correlated uncertainty of a difference of tallies. In this report, we follow up on their work by providing the formulas needed to apply batch statistics to compute the correlated uncertainty of a ratio of tallies and of a difference of two tallies divided by a third tally. We extend these formulas to differences and ratios of ratios. These formulas are applied to reduce the uncertainty associated with calculating a relative sensitivity. He and Su did not investigate the accuracy of their correlated sampling uncertainty estimates. We use their test problems and evaluate the accuracy of the uncertainty estimates by comparing with results obtained from random sampling, and, in simple cases, with theoretical values of the “exact” uncertainties. We find that the uncertainties obtained from batch statistics are accurate as long as at least 100 batches are used. We present a new computer code, COSUBS (COrrelated Sampling Using Batch Statistics), that reads MCNP6 TFCs and applies correlated sampling using batch statistics for the tally combinations that the user specifies. COSUBS is a very general tool that compares all TFCs for a base case and one or two perturbed cases. It computes uncertainties for ratios if given only a base case. This report is organized as follows. The equations to apply batch statistics to the difference of random tallies are reviewed in Sec. II. Section III presents the equations for applying batch statistics to a ratio of random tallies; this is useful for computing relative sensitivities using a one-sided finite difference and the relative sensitivity using the differential operator method. Section IV presents the equations for applying batch statistics to a difference of two random tallies divided by a third; this is useful for computing a relative sensitivities using a central difference. Section V presents the equations for applying batch statistics to a difference of two ratios with four random tallies. Section VI presents the equations for applying batch statistics to a one-sided finite difference estimate of the relative sensitivity of a ratio (this uses four random tallies). Section VII presents the equations for applying batch statistics to a central difference estimate of the relative sensitivity of a ratio (this uses six random tallies). Section VIII presents the equations for applying batch statistics to a sum of random tallies. Section IX discusses how to apply batch statistics using MCNP6. Section X presents COSUBS, describing its command-line options and logic. Sections XI through XVI present numerical results for various test problems. Section XVII is a summary and conclusions. Appendix A derives the theoretical Monte Carlo tally variance given certain assumptions; these variances are used to verify the batch statistics for some of the problems. Appendix B lists the MCNP6 input for the unperturbed example problem. Appendix C presents modifications made to MCNP6.3 to support this work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Explicit Form for the Most General Lorentz Transformation Revisited

Explicit formulae for the 4×4 Lorentz transformation matrices corresponding to a pure boost and a pure three-dimensional rotation are very well known. Significantly less well known is the explicit formula for a general Lorentz transformation with arbitrary non-zero boost and rotation parameters. We revisit this more general formula by presenting two different derivations. The first derivation (which is somewhat simpler than previous ones appearing in the literature) evaluates the exponential of a 4×4 real matrix A, where A is a product of the diagonal matrix diag(+1,−1,−1,−1) and an arbitrary 4×4 real antisymmetric matrix. The formula for expA depends only on the eigenvalues of A and makes use of the Lagrange interpolating polynomial. The second derivation exploits the observation that the spinor product η†σ¯μχ transforms as a Lorentz four-vector, where χ and η are two-component spinors. The advantage of the latter derivation is that the corresponding formula for a general Lorentz transformation Λ reduces to the computation of the trace of a product of 2×2 matrices. Both computations are shown to yield equivalent expressions for Λ.

Science & Technology - Other Topics↗
DOE OSTI2020

Method for preparing bis-(silylalkyl)carbonate esters

Carbonate esters of Formula (I): (R1)(R2)(R3)Si—R4—O—C(═O)—O—R4—Si(R1)(R2)(R3) are prepared by reaction of a silyl-substituted alcohol of Formula (II): (R1)(R2)(R3)Si—R4—OH with an activated carbonyl compound of Formula (III): C(═O)Z2 in the presence of a catalyst (e.g., an bicyclic amidine, a bicyclic guanidine, or a phosphazene) in an aprotic solvent. In Formulas (I) and (II) each of R1 and R2 independently is alkyl; R3 is alkyl or —X1—Si(R5)(R6)(R7); X1 is O or alkylene; R4 is alkylene; and each R5, R6, and R7 independently is alkyl. In Formula (III), Z is 1-N-imidazolyl or 1-N-succinimidyl. In some embodiments, the catalyst used in the methods described herein comprises at least one base selected from the group consisting of a bicyclic amidine and a bicyclic guanidine. The reaction proceeds readily under both bulk and continuous flow reactor conditions.

25 ENERGY STORAGE↗