Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “perturbation analysis”

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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Robustness of slow contraction to cosmic initial conditions

We present numerical relativity simulations of cosmological scenarios in which the universe is smoothed and flattened by undergoing a phase of slow contraction and test their sensitivity to a wide range of initial conditions. Our numerical scheme enables the variation of all freely specifiable physical quantities that characterize the initial spatial hypersurface, such as the initial shear and spatial curvature contributions as well as the initial field and velocity distributions of the scalar that drives the cosmological evolution. In particular, we include initial conditions that are far outside the perturbative regime of the well-known attractor scaling solution. We complement our numerical results by analytically performing a complete dynamical systems analysis and show that the two approaches yield consistent results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Exploring the growth index γ L : Insights from different CMB dataset combinations and approaches

In this study we investigate the growth index γ L , which characterizes the growth of linear matter perturbations, while analysing different cosmological datasets. We compare the approaches implemented by two different patches of the cosmological solver : and __. In our analysis we uncover a deviation of the growth index from its expected Λ CDM value of 0.55 when utilizing the Planck dataset, both in the case and in the __ case, but in opposite directions. This deviation is accompanied by a change in the direction of correlations with derived cosmological parameters. However, the incorporation of cosmic microwave background lensing data helps reconcile γ L with its Λ -cold dark matter value in both cases. Conversely, the alternative ground-based telescopes Atacama Cosmology Telescope and South Pole Telescope consistently yield growth index values in agreement with γ L = 0.55 . We conclude that the presence of the A lens problem in the Planck dataset contributes to the observed deviations, underscoring the importance of additional datasets in resolving these discrepancies. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

θ -dependence of light nuclei and nucleosynthesis

We investigate the impact of the QCD vacuum at nonzero θ on the properties of light nuclei, Big Bang nucleosynthesis, and stellar nucleosynthesis. Our analysis starts with a calculation of the θ-dependence of the neutron-proton mass difference and neutron decay using chiral perturbation theory. We then discuss the θ-dependence of the nucleon-nucleon interaction using a one-boson-exchange model and compute the properties of the two-nucleon system. Using the universal properties of four-component fermions at large scattering length, we then deduce the binding energies of the three-nucleon and four-nucleon systems. Based on these results, we discuss the implications for primordial abundances of light nuclei, the production of nuclei in stellar environments, and implications for an anthropic view of the universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Xylan Is Critical for Proper Bundling and Alignment of Cellulose Microfibrils in Plant Secondary Cell Walls

Plant biomass represents an abundant and increasingly important natural resource and it mainly consists of a number of cell types that have undergone extensive secondary cell wall (SCW) formation. These cell types are abundant in the stems of Arabidopsis, a well-studied model system for hardwood, the wood of eudicot plants. The main constituents of hardwood include cellulose, lignin, and xylan, the latter in the form of glucuronoxylan (GX). The binding of GX to cellulose in the eudicot SCW represents one of the best-understood molecular interactions within plant cell walls. The evenly spaced acetylation and 4-O-methyl glucuronic acid (MeGlcA) substitutions of the xylan polymer backbone facilitates binding in a linear two-fold screw conformation to the hydrophilic side of cellulose and signifies a high level of molecular specificity. However, the wider implications of GX–cellulose interactions for cellulose network formation and SCW architecture have remained less explored. In this study, we seek to expand our knowledge on this by characterizing the cellulose microfibril organization in three well-characterized GX mutants. The selected mutants display a range of GX deficiency from mild to severe, with findings indicating even the weakest mutant having significant perturbations of the cellulose network, as visualized by both scanning electron microscopy (SEM) and atomic force microscopy (AFM). We show by image analysis that microfibril width is increased by as much as three times in the severe mutants compared to the wild type and that the degree of directional dispersion of the fibrils is approximately doubled in all the three mutants. Further, we find that these changes correlate with both altered nanomechanical properties of the SCW, as observed by AFM, and with increases in enzymatic hydrolysis. Results from this study indicate the critical role that normal GX composition has on cellulose bundle formation and cellulose organization as a whole within the SCWs.

09 BIOMASS FUELS↗
DOE OSTI2021

Probabilistic Voltage Sensitivity Analysis to Quantify Impact of High PV Penetration on Unbalanced Distribution System

From an operational and planning perspective, it is important to quantify the impact of increasing penetration of photovoltaics on the distribution system. Most existing impact assessment studies are scenario-based where derived results are scenario specific and not generalizable. Moreover, stochasticity in the temporal behavior of spatially distributed PVs requires a large number of scenarios that increase with the size of the network and the level of penetration. Therefore, we propose a new computationally efficient analytical framework of voltage sensitivity analysis that allows for stochastic analysis of voltage change due to random changes in PV generation. We first derive an analytical approximation for voltage change at any node of the network due to change in power at other nodes in an unbalanced distribution network. The quality of this approximation is reinforced via bounds on the approximation error. Then, we derive the probability distribution of voltage change at a certain node due to random changes in power injections/consumptions at multiple locations of the network. The accuracy of the proposed PVSA is illustrated using a modified version of the IEEE 37 bus test system. As a result, the proposed PVSA can serve as a powerful tool for proactive monitoring/control and ease the computational burden associated with perturbation based cybersecurity mechanisms.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Impedance Scan of Inverter-Based Resources and Diesel Generator for Stability Analysis: Preprint

Impedance-based methods are widely used for power system stability analysis with inverter-based resources (IBRs), e.g., assessing dynamic interactions between the power grid and an IBR, control interactions between multiple IBRs, and the sub-synchronous oscillation and damping phenomenon. Since it is difficult to get a numerical model 100% matching with the hardware IBR, using the hardware inverter directly to obtain its output impedance has become a prominent approach nowadays. Therefore, this article presents the impedance scan using hardware IBRs, and also a hardware diesel generator as it still stays with the grid before the grid completely goes to renewable. The devices under test (DuTs) for the impedance scan includes two 3-..phi.., 480 V, 60 Hz commercial grid-forming IBRs (one of 250 kVA and another of 125 kVA rating) in series with ..delta..-Y transformers, one 3-..phi.., 480 V, 60 Hz commercial grid-following IBR (of 125 kVA rating), and a 3-..phi.., 480 V, 60 Hz commercial diesel generator (of 187.5 kVA rating). Using voltage signals perturbed with sub-, inter-, and higher harmonic components, and measuring the current response, the positive-sequence impedances are computed via an offline- based post-analysis. Moreover, best-fit transfer functions are estimated that closely resemble the measured data points of the positive-sequence impedances. Based on the observations from various outcomes of the hardware experiments, this article also provides some fundamental insights on the equivalent positive- sequence impedance of a combination of multiple hardware components by comparing the estimated and the empirically computed impedances. A comparative insight on the damping capability of the DuTs using the positive-sequence impedances of the hardware is also discussed.

grid following inverter↗
DOE OSTI2026

Structure−Property Relationships in a Series of Hybrid Halopyridinium Ruthenium(IV) Halides

Reported is the synthesis and characterization of a family of hybrid ruthenium halides consisting of haloruthenium octahedra (X = Cl, Br) charge balanced with halopyridinium (XPy; X= H, Cl, Br, I) organic cations which assemble via noncovalent interactions between ion pairs. Diffuse reflectance spectroscopy showed that compounds containing RuBr 6 2- octahedra displayed a lower bandgap (1.05 eV< x < 1.08 eV) compared to compounds with RuCl 6 2- octahedra (1.22 eV < x < 1.43 eV). Additionally, computational density functional theory (DFT) based natural bonding orbital (NBO) analysis and density of state (DOS) methods were used to characterize second-sphere non-covalent interaction strengths and elucidate molecular orbital perturbations to elucidate their influence on Ru-X orbital constructs and in turn rationalize band gap trends. Analyses showed ligand to metal charge transfer is responsible for the small bandgap energies and are unperturbed by second-sphere interactions. Here, this report serves as a platform for probing the relationship between the structural and photophysical properties within the haloruthenium family of low dimensional transition metal halide perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Field-Coupled Water Splitting with Metal-Free Donor–Acceptor Covalent Organic-Framework Junctions

Advancing metal-free electrocatalysts for hydrogen and oxygen evolution reactions (HER/OER) across acidic and alkaline media requires coordinated control of intermediate binding thermodynamics, interfacial charge delivery, and near-electrode transport dynamics. Here, we design amide-linked benzene–triazine covalent organic frameworks (BTA/TzTA-Hz COFs) and integrate them with carbon nanotubes (CNTs) to form COF–CNT junctions that establish a built-in interfacial electric field. Density functional theory (DFT) and electrostatic potential maps indicate complementary active motifs, with benzene-proximal fragments associated with HER and triazine-proximal motifs associated with OER. CNT integration shifts the contact-potential difference by ≈0.20 V, while operando electrochemical impedance spectroscopy suggests partially separable high-frequency junction-charging and lower-frequency Faradaic/transport responses. A 300 mT static magnetic field lowers the HER and OER overpotentials by tens of millivolts. Under anodic bias, the effective interfacial charging capacitance increases, and Mott–Schottky analysis shows an apparent ∼0.15 V flat-band shift with an essentially unchanged slope. Together, these observations are consistent with field-perturbed interfacial charging and altered bias partitioning. Field-dependent impedance and bubble imaging are consistent with magnetohydrodynamic convection that promotes bubble detachment and near-electrode mass transport for both half-reactions, and they reveal an OER-specific high-frequency perturbation under anodic bias. Under field, the heterostructure reaches an OER onset overpotential of ∼261 mV and requires an overpotential of 366 mV at 10 mA cm –2 in alkaline electrolyte. These results illustrate how reticular-framework chemistry, junction engineering, and both built-in and applied fields can program reactivity through interfacial electrostatics and near-electrode transport in organic-framework electrocatalysts.

Garcia-Enriquez, Lissette [Univ. of Texas at El Pa↗
DOE OSTI2022

Instability and turbulent relaxation in a stochastic magnetic field

An analysis of instability dynamics in a stochastic magnetic field is presented for the tractable case of the resistive interchange. Externally prescribed static magnetic perturbations convert the eigenmode problem to a stochastic differential equation, which is solved by the method of averaging. The dynamics are rendered multi-scale, due to the size disparity between the test mode and magnetic perturbations. Maintaining quasi-neutrality at all orders requires that small-scale convective cell turbulence be driven by disparate scale interaction. Here, the cells in turn produce turbulent mixing of vorticity and pressure, which is calculated by fluctuation-dissipation type analyses, and are relevant to pump-out phenomena. The development of correlation between the ambient magnetic perturbations and the cells is demonstrated, showing that turbulence will 'lock on' to ambient stochasticity. Magnetic perturbations are shown to produce a magnetic braking effect on vorticity generation at large scale. Detailed testable predictions are presented. The relations of these findings to the results of available simulations and recent experiments are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Cement sensors with acoustic bandgaps using carbon nanotubes

Cement is widely used in wellbores to stabilize the steel casing used in wellbore operations for oil and gas production, enhanced geothermal systems and carbon sequestration, and to limit fluid movement between sub-surface strata. Flaws such as microcracks in wellbore cement can lead to leakage along the wellbore compromising wellbore integrity. There is an increasing need for methods to monitor cement crack propagation in wellbore environments. In this study, we develop and report the first cementitious sensors capable of exhibiting high frequency acoustic bandgaps (ABGs) using carbon nanotubes (CNTs). Computational simulations of a sensor unit cell are used to design cement-multi walled carbon nanotubes (MWCNTs) sensors that show a wide bandgap. When the cement-MWCNTs sensors is embedded in cement specimens, bandgaps were measured experimentally under 300 kHz and under 600 kHz, consistent with the computationally predicted bandgaps in the range of 290–360 kHz, 410–460 kHz and 515–585 kHz. These bandgap features were absent in homogeneous cement specimens. X-ray tomographic reconstructions showed microscopic debonding at cement-MWCNTs sensor interface. Frequency response analysis of a three-dimensional computational model indicated a shift of frequency of minimum transmission due to the interface debonding, but no perturbation of bandgap response was observed. Here, the cement-MWCNTs sensors developed in this study show the potential of a packed CNT inclusion material in cementitious matrix to create ABGs in a cement matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Balrog

SAND2022-12602 O Balrog uses mathematical methods to calculate spectral line shapes in high-energy-density plasmas. Line shapes are a result of atomic perturbations by their surrounding plasmas, and this model captures much of the physics and generates model spectrum that can be used in data analysis and as an input for other models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Gomez, Thomas↗
DOE OSTI2025

Impact Testing of Heat Source Exemplars

This report details the heat source impact testing performed at the Shock Thermodynamics Applied Research Facility (STAR). The purpose of these tests were to measure the impact behavior of a heated Ta-10W tantalum/tungsten alloy heat source exemplar. Each exemplar resembled a cylinder with a rectangular through-hole orthogonal to the cylinder axis-of-symmetry. In each test, the exemplar was impacted by a hardened steel impactor accelerated using the STAR air gun. The exemplars were impacted perpendicular to the through-hole and at an an angle to the cylindrical axis-of-symmetry. The exemplar bar stock source, impact angle, and impact velocity were varied throughout the testing series. High-speed video was used to measure dynamic impact behavior while photon doppler velocimetry (PDV) and shorting pins were used to measure the impact velocity. Foam support structures were used to thermally isolate the exemplar and provide a support structure which was non-perturbative to the impact event. Soft-catch techniques were used to minimize secondary impacts and enable recovery for detailed post-shot analysis. Results indicate positive correlation between exemplar fracture and the variables of impact velocity and impact angle. Exemplar fracture occurred consistently along a single corner of the through-hole.

36 MATERIALS SCIENCE↗
DOE OSTI2020

WA-IsoC_MSC1.1.0

The soil microbiome is central to the cycling of carbon and other nutrients and to the promotion of plant growth. Despite its importance, analysis of the soil microbiome is difficult due to its sheer complexity, with thousands of interacting species. Here, we reduced this complexity by developing model soil microbial consortia that are simpler and more amenable to experimental analysis but still represent important microbial functions of the native soil ecosystem. Samples were collected from an arid grassland soil and microbial communities (consisting mainly of bacterial species) were enriched on agar plates containing chitin as the main carbon source. Chitin was chosen because it is an abundant carbon and nitrogen polymer in soil that often requires the coordinated action of several microorganisms for complete metabolic degradation. Several soil consortia were derived that had tractable richness (30-50 OTUs) with diverse phyla representative of the native soil, including Actinobacteria, Bacteroidetes, Firmicutes, Proteobacteria and Verrucomicrobia. The resulting consortia can be stored as glycerol or lyophilized stocks at -80° C and revived while retaining community composition, greatly increasing their use as tools for the research community at large. One of the consortia that was particularly stable was chosen as a model soil consortium (MSC-1) for further analysis. MSC-1 species interactions were studied using both pairwise co-cultivation in liquid media and during growth in soil under several perturbations. Co-abundance analyses highlighted interspecies interactions and helped to define keystone species, including Mycobacterium, Rhodococcus, and Rhizobiales taxa. These experiments demonstrate the success of an approach based on naturally enriching a community of interacting species that can be stored, revived, and shared. The knowledge gained from querying these communities and their interactions will enable better understanding of the soil microbiome and the roles these interactions play in this environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

RIMS analysis of isotopically tagged uranium particles with application to Intentional Forensics

Traditional nuclear forensics approaches leverage isotopic measurements for characterizing nuclear forensics signatures in fuel cycle materials. To aid in provenance assessment, isotopically perturbed transition metal taggants can be added to fuel cycle materials. We present a case study for examining natural uranium oxide powder that was tagged with isotopically perturbed Mo before and after irradiation using resonance ionization mass spectrometry. In conclusion, this method accurately and precisely measures taggant and uranium compositions, rapidly enabling the ability to clearly discriminate between tagged particles and other material with application for robust assessment of material provenance.

Forensic Anthropology↗
DOE OSTI2025

Turbulence statistical analysis of the L-H transition and RMPs in KSTAR

Here, we investigate the turbulence statistics associated with low-to-high confinement (L-H) transitions and externally applied resonant magnetic perturbations (RMPs) in KSTAR. Time-series fluctuations of electron density n e , electron temperature T e , and the time derivative of the poloidal magnetic field dB θ /dt (Mirnov coils) are analysed using information-geometric measures (information rate Γ and information length $\mathcal{L}$ = ∫ Γ dt), together with kurtosis κ and variance σ 2 . In low-density upper single-null plasmas (n e ~ 1.2 x 10 19 m -3 ), a ~80 kHz magnetic mode coupling n e , T e , dB θ /dt and emerges prior to the L-H transition and persists into the edge-localised modes H-mode. Edge-localised RMPs (ERMPs) suppress this coherent mode but enhance intermittency, producing frequent bursts that abruptly reshape the time-dependent probability density functions (PDFs) and generate large spikes in Γ (with smaller changes in κ), signalling ERMP-driven departures from quasi-stationarity. The impact of ERMPs on background fluctuation levels depends on density, radial location, and the fluctuating variable itself ($\tilde{n}$, $\tilde{T}$, $\dot{B}$ θ ), whereas $\mathcal{L}$ provides a robust, regime-agnostic measure of cumulative statistical reorganisation and spatial decorrelation. In particular, at low density we observe weaker coupling between $\tilde{n}$ and $\tilde{T}$, along with a tendency toward decreased radial correlation-most clearly for $\tilde{T}$-under ERMPs. Overall, information geometry cleanly captures intermittent events, quantifies non-equilibrium PDF evolution, and offers a compact, cross-diagnostic metric for assessing resonant magnetic perturbation effects on edge transport and correlation across densities, radial locations, and confinement states.

Kim, Eun-jin [Coventry Univ. (United Kingdom); Seo↗
DOE OSTI2024

Impedance Scan of Inverter-Based Resources and Diesel Generator for Stability Analysis

Impedance-based methods are widely used for power system stability analysis with inverter-based resources (IBRs), e.g., assessing dynamic interactions between the power grid and an IBR, control interactions between multiple IBRs, and the sub-synchronous oscillation and damping phenomenon. Since it is difficult to get a numerical model 100% matching with the hardware IBR, using the hardware inverter directly to obtain its output impedance has become a prominent approach nowadays. Therefore, this article presents the impedance scan using hardware IBRs, and also a hardware diesel generator as it still stays with the grid before the grid completely goes to renewable. The devices under test (DuTs) for the impedance scan includes two 3-..phi.., 480 V, 60 Hz commercial grid-forming IBRs (one of 250 kVA and another of 125 kVA rating) in series with ..delta..-Y transformers, one 3-..phi.., 480 V, 60 Hz commercial grid-following IBR (of 125 kVA rating), and a 3-..phi.., 480 V, 60 Hz commercial diesel generator (of 187.5 kVA rating). Using voltage signals perturbed with sub-, inter-, and higher harmonic components, and measuring the current response, the positive-sequence impedances are computed via an offline-based post-analysis. Moreover, best-fit transfer functions are estimated that closely resemble the measured data points of the positive-sequence impedances. Based on the observations from various outcomes of the hardware experiments, this article also provides some fundamental insights on the equivalent positive-sequence impedance of a combination of multiple hardware components by comparing the estimated and the empirically computed impedances. A comparative insight on the damping capability of the DuTs using the positive-sequence impedances of the hardware is also discussed.

current measurement↗
DOE OSTI2024

Observation of a super-tetrahedral cluster of acetonitrile-solvated dodecaborate dianion via dihydrogen bonding

We launched a combined negative ion photoelectron spectroscopy and multiscale theoretical investigation on the geometric and electronic structures of a series of acetonitrile-solvated dodecaborate clusters, i.e., B 12 H 12 2- ·nCH 3 CN (n = 1–4). The electron binding energies of B 12 H 12 2- ·nCH 3 CN are observed to increase with cluster size, suggesting their enhanced electronic stability. B3LYP-D3(BJ)/ma-def2-TZVP geometry optimizations indicate each acetonitrile molecule binds to B 12 H 12 2- via a threefold dihydrogen bond (DHB) B3–H3 ⋮⋮⋮ H3C–CN unit, in which three adjacent nucleophilic H atoms in B 12 H 12 2- interact with the three methyl hydrogens of acetonitrile. The structural evolution from n = 1 to 4 can be rationalized by the surface charge redistributions through the restrained electrostatic potential analysis. Notably, a super-tetrahedral cluster of B 12 H 12 2- solvated by four acetonitrile molecules with 12 DHBs is observed. The post-Hartree–Fock domain-based local pair natural orbital- coupled cluster singles, doubles, and perturbative triples [DLPNO-CCSD(T)] calculated vertical detachment energies agree well with the experimental measurements, confirming the identified isomers as the most stable ones. Furthermore, the nature and strength of the intermolecular interactions between B 12 H 12 2- and CH 3 CN are revealed by the quantum theory of atoms-in-molecules and the energy decomposition analysis. Ab initio molecular dynamics simulations are conducted at various temperatures to reveal the great kinetic and thermodynamic stabilities of the selected B 12 H 12 2- ·CH 3 CN cluster. The binding motif in B 12 H 12 2- ·CH 3 CN is largely retained for the whole halogenated series B 12 X 12 2- ·CH 3 CN (X = F–I). This study provides a molecular-level understanding of structural evolution for acetonitrile-solvated dodecaborate clusters and a fresh view by examining acetonitrile as a real hydrogen bond (HB) donor to form strong HB interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A Unified Workflow for Sensitivity-Based Kinetic Analysis in Microkinetic Models

Degrees of rate control (DRC), apparent activation energies, and apparent reaction orders are established local sensitivity diagnostics for interpreting microkinetic models, but applying them routinely to large mechanisms often requires substantial reaction-specific bookkeeping, perturbation design, and postprocessing. Here, in this study, we present a unified derivative-based workflow that evaluates these quantities from a single compiled reaction-network model and target-rate definition. For any user-provided microkinetic model, the workflow compiles the mechanism into stoichiometrically consistent mass-action rate equations, solves the surface dynamics, and uses automatic differentiation to compute sensitivities with respect to rate constants, temperature, and gas partial pressures. By combining their calculations in the same framework, the workflow clearly demonstrates the relationships between different DRCs and the apparent activation energy. Using existing examples of propylene partial oxidation and methane oxidation on Pd(100), we verify expected transient redistribution of rate control, distinguish net Campbell DRCs from one-sided directional sensitivities, and show how apparent activation energy can be reconstructed either from one-sided DRCs or from state-based DRCs while critical mechanistic insights are obtained consistently. In the methane oxidation case, a pathway-subset test further illustrates how a simplified mechanism preserves key kinetic signatures of a full model, showing the potential of our user-friendly tool for model construction beyond kinetic analysis.

36 MATERIALS SCIENCE↗