Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “monotonicity”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effects of pressure on the electronic and magnetic properties of bulk NiI 2

Transition metal dihalides have recently garnered interest in the context of two-dimensional van der Waals magnets as their underlying geometrically frustrated triangular lattice leads to interesting competing exchange interactions. In particular, NiI 2 is a magnetic semiconductor that has been long known for its exotic helimagnetism in the bulk. Recent experiments have shown that the helimagnetic state survives down to the monolayer limit with a layer-dependent magnetic transition temperature that suggests a relevant role of the interlayer coupling. Here, we explore the effects of hydrostatic pressure as a means to enhance this interlayer exchange and ultimately tune the electronic and magnetic response of NiI 2 . We study first the evolution of the structural parameters as a function of external pressure using first-principles calculations combined with x-ray diffraction measurements. We then examine the evolution of the electronic structure and magnetic exchange interactions via first-principles calculations and Monte Carlo simulations. Further, we find that the leading interlayer coupling is an antiferromagnetic second-nearest-neighbor interaction that increases monotonically with pressure. The ratio between isotropic third- and first-nearest-neighbor intralayer exchanges, which controls the magnetic frustration and determines the magnetic propagation vector q of the helimagnetic ground state, is also enhanced by pressure. As a consequence, our Monte Carlo simulations show a monotonic increase in the magnetic transition temperature, indicating that pressure is an effective means to tune the magnetic response of NiI 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Beam-energy dependence of the production of light nuclei in Au + Au collisions

We study in the coalescence model the collision energy dependence of (anti-)deuteron and (anti- )triton production in the most central Au+Au collisions at $\sqrt{s_{NN}} $ = 7.7, 11.5, 19.6, 27, 39, 62.4 and 200 GeV. The needed phase-space distribution of nucleons at the kinetic freeze-out is generated from a new 3D hybrid dynamical model (iEBE-MUSIC) by using a smooth crossover equation of state (EoS) without a QCD critical point. Our model calculations predict that the coalescence parameters of (anti-)deuteron (B 2 (d) and B 2 ($\bar{d}$)) decrease monotonically as the collision energy increases, and the light nuclei yield ratio N t N p /$Nd^{2}_{d}$ remains approximately a constant with respect to the collision energy. These calculated observables fail to reproduce the non-monotonic behavior of the corresponding data from the STAR Collaboration. Without including any effects of the critical point in our model, our results serve as the baseline predictions for the yields of light nuclei in the search for the possible QCD critical points from the experimental beam energy scan of heavy ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Postprocessing techniques for gradient percolation predictions on the square lattice

In this work, we revisit the classic problem of site percolation on a regular square lattice. In particular, we investigate the effect of quantization bias errors on percolation threshold predictions for large probability gradients and propose a mitigation strategy. We demonstrate through extensive computational experiments that the assumption of a linear relationship between probability gradient and percolation threshold used in previous investigations is invalid. Moreover, we demonstrate that, due to skewness in the distribution of occupation probabilities visited the average does not converge monotonically to the true percolation threshold. Furthermore, we identify several alternative metrics which do exhibit monotonic (albeit not linear) convergence and document their observed convergence rates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Resilient Operation of Power Distribution Systems Using MPC-Based Critical Service Restoration

Power distribution systems are more prone to disruptions and cause most power system outages. We propose a service restoration technique to recover the system service (electricity delivery) following an extreme event-triggered substation outage. The proposed technique considers the problem of controlling distributed energy resources (DERs) of a distribution system with the objective of achieving maximum load pick up while satisfying network flow and voltage constraints. The problem is formulated as a model predictive control (MPC), where a linearized optimal power flow (OPF) model is employed to describe the network. The formulation is augmented with a ramping (up) reserve product for the DERs to ensure an upward monotonic load restoration as time evolves. We perform simulations considering the IEEE 13-bus test feeder integrated with wind, solar, microturbine, and energy storage devices. We demonstrate the efficacy of the devised technique in restoring the system loads monotonically, without shedding previously restored loads. We also show the benefit of co-optimization of power and reserve products for DERs on service restoration. In addition, the capability of the technique in regulating nodal voltages and reducing renewable power curtailment is demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Improved Guarantees for Optimal Nash Equilibrium Seeking and Bilevel Variational Inequalities

We consider a class of hierarchical variational inequality (VI) problems that subsumes VI-constrained optimization and several other problem classes, including the optimal solution selection problem and the optimal Nash equilibrium (NE) seeking problem. Our main contribution is threefold. (i) We consider bilevel VIs with monotone and Lipschitz continuous mappings and devise a single-timescale iteratively regularized extragradient method, named IR-EG 𝚖,𝚖 . We improve the existing iteration complexity results for addressing both bilevel VI and VI-constrained convex optimization problems. (ii) Under the strong monotonicity of the outer-level mapping, we develop a method named IR-EG 𝚜,𝚖 and derive faster guarantees than those in (i). We also study the iteration complexity of this method under a constant regularization parameter. These results appear to be new for both bilevel VIs and VI-constrained optimization. (iii) To our knowledge, complexity guarantees for computing the optimal NE in nonconvex settings do not exist. Motivated by this lacuna, we consider VI-constrained nonconvex optimization problems and devise an inexactly projected gradient method, named IPR-EG, where the projection onto the unknown set of equilibria is performed using IR-EG 𝚜,𝚖 with a prescribed termination criterion and an adaptive regularization parameter. We obtain new complexity guarantees in terms of a residual map and an infeasibility metric for computing a stationary point. Here, we validate the theoretical findings using preliminary numerical experiments for computing the best and the worst NEs.

bilevel optimization↗
DOE OSTI2024

Vanishing adsorption limit of Riemann problem solutions for the polymer model

Here we examine the vanishing adsorption limit of solutions of Riemann problems for the Glimm–Isaacson model of chemical flooding of a petroleum reservoir. A contact discontinuity is deemed admissible if it is the limit of traveling waves or rarefaction waves for an augmented system that accounts for weak chemical adsorption onto the rock. We prove that this criterion justifies the admissibility criteria adopted previously by Keyfitz–Kranzer, Isaacson–Temple and de Souza–Marchesin, provided that the fractional flow function depends monotonically on chemical concentration. We also demonstrate that the adsorption criterion selects the undercompressive contact discontinuities required to solve the general Riemann problem in an example model with non-monotone dependence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Computational study on the impact of gasoline-ethanol blending on autoignition and soot/NO x emissions under low-load gasoline compression ignition conditions

Here, in the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NO x ), and soot emissions under low-load conditions. In order to represent the test gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF)+ethanol (ETPRF) surrogate (with 10% ethanol by volume; E10) is employed. A three-dimensional (3D) engine CFD model employing finite-rate chemistry with a skeletal kinetic mechanism (including NO x sub-mechanism), adaptive mesh refinement (AMR), and hybrid method of moments (HMOM) is adopted to capture the in-cylinder combustion phenomena and soot/NO x emissions. The engine CFD model is validated against experimental data for three gasoline-ethanol blends: E10, E30 and E100, with varying ethanol content by volume. Model validation is carried out for a broad range of start-of-injection (SOI) timings (−21, −27, −36, and −45 crank angle degrees (°CA) after top-dead-center (aTDC)) with respect to in-cylinder pressure, heat release rate, combustion phasing, NO x and soot emissions. For relatively later injection timings (−21 and −27 °CA aTDC), E30 yields higher amount of soot than E10; while the trend reverses for early injection cases (−36 and −45 °CA aTDC ). On the other hand, E100 yields the lowest amount of soot among all fuels irrespective of SOI timing. Further, E10 shows a non-monotonic trend in soot emissions with SOI timing: SOI-36>SOI-45>SOI-21>SOI-27, while soot emissions from E30 exhibit monotonic decrease with advancing SOI timing. NO x emissions from various fuels follow a trend of E10>E30>E100. On the other hand, NO x emissions increase as SOI timing is advanced for all fuels, with an anomaly for E10 and E100 where NO x decreases when SOI is advanced beyond −36 °CA aTDC. Detailed analysis of the numerical results is performed to investigate the soot/NO x emission trends and elucidate the impact of chemical composition and physical properties on autoignition and emissions characteristics.

Computational fluid dynamics↗
DOE OSTI2022

Noise-resistant Landau-Zener sweeps from geometrical curves

Landau-Zener physics is often exploited to generate quantum logic gates and to perform state initialization and readout. The quality of these operations can be degraded by noise fluctuations in the energy gap at the avoided crossing. We leverage a recently discovered correspondence between qubit evolution and space curves in three dimensions to design noise-robust Landau-Zener sweeps through an avoided crossing. In the case where the avoided crossing is purely noise-induced, we prove that operations based on monotonic sweeps cannot be robust to noise. Hence, we design families of phase gates based on non-monotonic drives that are error-robust up to second order. In the general case where there is an avoided crossing even in the absence of noise, we present a general technique for designing robust driving protocols that takes advantage of a relationship between the Landau-Zener problem and space curves of constant torsion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Ion-Selective Scattering Studied Using the Variable-Energy Electron Irradiation in the Ba 0.2 K 0.8 Fe 2 As 2 Superconductor

Low-temperature variable-energy electron irradiation was used to induce non-magnetic disorder in a single crystal of a hole-doped iron-based superconductor, Ba $1-x$ K $x$ Fe 2 As 2 , $x$ = 0.80. To avoid systematic errors, the beam energy was adjusted non-consequently for five values between 1.0 and 2.5 MeV when sample resistance was measured in situ at 22 K. For all energies, the resistivity raises linearly with the irradiation fluence suggesting the creation of uncorrelated dilute point-like disorder (confirmed by simulations). The rate of the resistivity increase peaks at energies below 1.5 MeV. Comparison with calculated partial cross-sections points to the predominant creation of defects in the iron sublattice. Simultaneously, superconducting $T_c$, measured separately between the irradiation runs, is monotonically suppressed as expected, since it depends on the total scattering rate, hence on the total cross-section, which is a monotonically increasing function of the energy. Our work experimentally confirms an often-made assumption of the dominant role of the iron sub-lattice in iron-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Pressure-Induced Exciton Formation and Superconductivity in Platinum-Based Mineral Sperrylite

We report a comprehensive study of Sperrylite (PtAs 2 ), the main platinum source in natural minerals, as a function of applied pressures up to 150 GPa. While no structural phase transition is detected from pressure-dependent X-ray measurements, the unit cell volume shrinks monotonically with pressure following the third-order Birch–Murnaghan equation of state. The mildly semiconducting behavior found in pure synthesized crystals at ambient pressures becomes more insulating upon increasing the applied pressure before metalizing at higher pressures, giving way to the appearance of an abrupt decrease in resistance near 3 K at pressures above 92 GPa consistent with the onset of a superconducing phase. The pressure evolution of the calculated electronic band structure reveals the same physical trend as our transport measurements, with a non-monotonic evolution explained by a hole band that is pushed below the Fermi energy and an electron band that approaches it as a function of pressure, both reaching a touching point suggestive of an excitonic state. A Lifshitz transition of the electronic structure and an increase in the density of states may naturally explain the onset of superconductivity in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Zika Virus Infection and Antibody Neutralization in FcRn Expressing Placenta and Engineered Cell Lines

As a developmental toxicant, Zika virus (ZIKV) attacks both the growing nervous system, causing congenital Zika syndrome, and the placenta, resulting in pathological changes and associated adverse fetal outcomes. There are no vaccines, antibodies, or other treatments for ZIKV, despite the potential for its re-emergence. Multiple studies have highlighted the risk of antibodies for enhancing ZIKV infection, including during pregnancy, but the mechanisms for such effects are not fully understood. We have focused on the ability of the neonatal Fc receptor (FcRn) to interact with ZIKV in the presence and absence of relevant antibodies. We found that ZIKV replication was higher in Marvin Darby Canine Kidney (MDCK) cells that overexpress FcRn compared to those that do not, and knocking down FcRn decreased ZIKV RNA production. In the placenta trophoblast BeWo cell line, ZIKV infection itself downregulated FcRn at the mRNA and protein levels. Addition of anti-ZIKV antibodies to MDCK/FcRn cells resulted in non-monotonous neutralization curves with neutralization attenuation and even enhancement of infection at higher concentrations. Non-monotonous neutralization was also seen in BeWo cells at intermediate antibody concentrations. Our studies highlight the underappreciated role FcRn plays in ZIKV infection and may have implications for anti-ZIKV prophylaxis and therapy in pregnant women.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Testing Classical Properties from Quantum Data

Many properties of Boolean functions can be tested far more efficiently than the function itself can be learned. However, this dramatic advantage often disappears when testers are limited to random samples of ƒ instead of adaptively chosen queries to f. In this work we investigate the quantum version of this restriction: quantum algorithms that test properties of a Boolean function f solely from copies of either the function state |ƒ⟩ ∝ ∑ x |x, ƒ(x)⟩ or the phase state |(-1) ƒ ⟩ ∝ ∑ x (-1) ƒ(x) |x⟩. For monotonicity, symmetry, and triangle-freeness, we show passive quantum testers are unboundedly or super-polynomially better than their classical passive testing counterparts. They are competitive with classic query -based testers in each case. Our new testers use techniques beyond quantum Fourier sampling, and it turns out this is necessary: we show a certain class of bent functions can be tested from 𝒪(1) function states but has a sample complexity lower bound of 2 Ω(n) for any tester relying exclusively on Fourier and classical samples. Our passive quantum testers are competitive with classical query -based testers, but this isn't universal: we exhibit a testing problem that can be solved from 𝒪(1) classical queries but requires Ω(2 n/2 ) function state copies. The Forrelation problem provides a separation of the same magnitude in the opposite direction, so we conclude that quantum data and classical queries are "maximally incomparable" resources for testing. We also begin the study of lower bounds for testing from quantum data. For quantum monotonicity testing, we prove that the ensembles of [Goldreich et al., 2000; Black, 2024], which give exponential lower bounds for classical sample-based testing, do not yield any nontrivial lower bounds for testing from quantum data. New insights specific to quantum data will be required for proving copy complexity lower bounds for testing in this model.

Boolean Functions↗
DOE OSTI2025

Enhanced signal of momentum broadening in hard splittings for $γ$-tagged jets in a multistage approach

We investigate medium-induced modifications to jet substructure observables that characterize hard splitting patterns in central Pb-Pb collisions at the top energy of the Large Hadron Collider (LHC). Using a multistage Monte Carlo simulation of in-medium jet shower evolution, we explore flavor-dependent medium effects through simulations of inclusive and $γ$-tagged jets. The results show that quark jets undergo a non-monotonic modification compared to gluon jets in observables such as the Pb-Pb to $p$-$p$ ratio of the Soft Drop prong angle $r_g$, the relative prong transverse momentum $k_{T,g}$ and the groomed mass $m_g$ distributions. Due to this non-monotonic modification, $γ$-tagged jets, enriched in quark jets, provide surprisingly clear signals of medium-induced structural modifications, distinct from effects dominated by selection bias. This work highlights the potential of hard substructures in $γ$-tagged jets as powerful tools for probing the jet-medium interactions in high-energy heavy-ion collisions. All simulations for $γ$-tagged jet analyses carried out in this paper used triggered events containing at least one hard photon, which highlights the utility of these observables for future Bayesian analysis.

FOS: Physical sciences↗
DOE OSTI2022

Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol applied to Earth system models

Abstract. Strongly coupled nonlinear phenomena such as those described by Earth system models (ESMs) are composed of multiple component models with independent mesh topologies and scalable numerical solvers. A common operation in ESMs is to remap or interpolate component solution fields defined on their computational mesh to another mesh with a different combinatorial structure and decomposition, e.g., from the atmosphere to the ocean, during the temporal integration of the coupled system. Several remapping schemes are currently in use or available for ESMs. However, a unified approach to compare the properties of these different schemes has not been attempted previously. We present a rigorous methodology for the evaluation and intercomparison of remapping methods through an independently implemented suite of metrics that measure the ability of a method to adhere to constraints such as grid independence, monotonicity, global conservation, and local extrema or feature preservation. A comprehensive set of numerical evaluations is conducted based on a progression of scalar fields from idealized and smooth to more general climate data with strong discontinuities and strict bounds. We examine four remapping algorithms with distinct design approaches, namely ESMF Regrid (Hill et al., 2004), TempestRemap (Ullrich and Taylor, 2015), generalized moving least squares (GMLS) (Trask and Kuberry, 2020) with post-processing filters, and WLS-ENOR (Li et al., 2020). By repeated iterative application of the high-order remapping methods to the test fields, we verify the accuracy of each scheme in terms of their observed convergence order for smooth data and determine the bounded error propagation using challenging, realistic field data on both uniform and regionally refined mesh cases. In addition to retaining high-order accuracy under idealized conditions, the methods also demonstrate robust remapping performance when dealing with non-smooth data. There is a failure to maintain monotonicity in the traditional L2-minimization approaches used in ESMF and TempestRemap, in contrast to stable recovery through nonlinear filters used in both meshless GMLS and hybrid mesh-based WLS-ENOR schemes. Local feature preservation analysis indicates that high-order methods perform better than low-order dissipative schemes for all test cases. The behavior of these remappers remains consistent when applied on regionally refined meshes, indicating mesh-invariant implementations. The MIRA intercomparison protocol proposed in this paper and the detailed comparison of the four algorithms demonstrate that the new schemes, namely GMLS and WLS-ENOR, are competitive compared to standard conservative minimization methods requiring computation of mesh intersections. The work presented in this paper provides a foundation that can be extended to include complex field definitions, realistic mesh topologies, and spectral element discretizations, thereby allowing for a more complete analysis of production-ready remapping packages.

58 GEOSCIENCES↗
NASA NTRS1972

Nth-order flat approximation of the signum function by a polynomial

In the interval studied, the signum function, sgn x, was demonstrated to be uniquely approximated by an odd polynomial f sub n (x) of order 2n-1, for which the approximation is nth order flat with respect to the points (1,1) and (-1,-1). A theorem was proved which states that for even integers n or = 2, the approximating polynomial has a pair of nonzero real roots + or - x sub n such that the x sub n form a monotonically decreasing sequence which converges to the root of 2 as n approaches infinity. For odd n i, f sub n (x) represents a strictly increasing monotonic function for all real x. As n tends to infinity, f sub n (x) converges to sgn x uniformly in two interval ranges.

Hosenthien, H. H.↗
NASA NTRS1972

Hodographic approach to predicting inelastic strain at high temperature

An experimental study of the effect of continuous and discontinuous changes in strain rate on the relationship among strain rate, strain, and stress is described. Data from Udimet 700 in tension at 925 C were used in order to relate cyclic tensile creep to the monotonic properties of the material by means of the hodograph. The nature of modifications caused to the hodograph by discontinuous variation of the strain rate was determined from tests. Reloading at discontinuous strain rate caused reactivation of primary creep. A simple method, based on monotonic material properties, is proposed for predicting cyclic tensile creep response. Preliminary results of cyclic tests agree with predicted response.

Berkovits, A.↗
NASA NTRS1972

Boiling from small cylinders.

Heat transfer is observed as a function of temperature on small horizontal wires in water and four organic liquids. When the wire radius is sufficiently small, the hydrodynamic transitions in the boiling curve disappear and the curve becomes monotonic. Three modes of heat removal are identified for the monotonic curve and described analytically: a natural convection mode, a mixed film boiling and natural convection mode, and a pure film boiling mode. Nucleate boiling does not occur on the small wires. The study was motivated by an interest in predicting the behavior of large heaters at low gravity. The application of the present results to such circumstances is therefore discussed. It is proposed that the peak and minimum heat fluxes will vanish at low gravity as well as on small wires.

Bakhru, N.↗
NASA NTRS1972

The geomorphic evolution of the lunar surface.

The solution of the function relating craters of the continuous degradation sequence with degree of erosion was defined as the geomorphic index of the area. Studies of the geomorphic index of stratigraphic surfaces show that areas covered by considerable ballistic sediments have a geomorphic index which is not a monotonic function of time. On the other hand, areas covered almost exclusively by mare flooding show an index which is a monotonic function of the age of the flooding. As each mare surface shows a considerable range in indices, it is concluded that maria are covered by surfaces formed through a considerable length of time. By using Apollo 11 and 12 radiometric ages it is suggested that the time of mare flooding lasted on the order of one billion years. The geomorphic index of highland surfaces shows a remarkable degree of order - i.e., the farther an area is inland from the mare shores, the higher will be the index. No explanation is given for this phenomenon, but it is suggested that lunar erosion is not just a localized phenomenon centered on the locus of an impact, but has lateral trends of regional dimensions.

Ronca, L. B.↗