Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Matrix Models”

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 469 records · Page 26

ACCRUE—An Integral Index for Measuring Experimental Relevance in Support of Neutronic Model Validation

A key challenge for the introduction of any design changes, e.g., advanced fuel concepts, first-of-a-kind nuclear reactor designs, etc., is the cost of the associated experiments, which are required by law to validate the use of computer models for the various stages, starting from conceptual design, to deployment, licensing, operation, and safety. To achieve that, a criterion is needed to decide on whether a given experiment, past or planned, is relevant to the application of interest. This allows the analyst to select the best experiments for the given application leading to the highest measures of confidence for the computer model predictions. The state-of-the-art methods rely on the concept of similarity or representativity, which is a linear Gaussian-based inner-product metric measuring the angle—as weighted by a prior model parameters covariance matrix—between two gradients, one representing the application and the other a single validation experiment. This manuscript emphasizes the concept of experimental relevance which extends the basic similarity index to account for the value accrued from past experiments and the associated experimental uncertainties, both currently missing from the extant similarity methods. Accounting for multiple experiments is key to the overall experimental cost reduction by prescreening for redundant information from multiple equally-relevant experiments as measured by the basic similarity index. Accounting for experimental uncertainties is also important as it allows one to select between two different experimental setups, thus providing for a quantitative basis for sensor selection and optimization. The proposed metric is denoted by ACCRUE, short for Accumulative Correlation Coefficient for Relevance of Uncertainties in Experimental validation. Using a number of criticality experiments for highly enriched fast metal systems and low enriched thermal compound systems with accident tolerant fuel concept, the manuscript will compare the performance of the ACCRUE and basic similarity indices for prioritizing the relevance of a group of experiments to the given application.

97 MATHEMATICS AND COMPUTING↗

Search for excited states in O 25

Theoretical calculations suggest the presence of low-lying excited states in 25 O. Previous experimental searches by means of proton knockout on 26 F produced no evidence for such excitations. We search for excited states in 25 O using the 24 O(d,p) 25 O reaction. The theoretical analysis of excited states in unbound 25,27 O is based on the configuration interaction approach that accounts for couplings to the scattering continuum. We use invariant-mass spectroscopy to measure neutron-unbound states in 25 O. For the theoretical approach, we use the complex-energy Gamow Shell Model and Density Matrix Renormalization Group method with a finite-range two-body interaction optimized to the bound states and resonances of 23–26 O, assuming a core of 22 O. Here we predict energies, decay widths, and asymptotic normalization coefficients. Our calculations in a large spdf space predict several low-lying excited states in 25 O of positive and negative parity, and we obtain an experimental limit on the relative cross section of a possible J π = 1/2 + state with respect to the ground state of 25 O at σ 1/2+ /σ g.s. = 0.25$^{+1.0}_{-0.25}$. We also discuss how the observation of negative parity states in 25 O could guide the search for the low-lying negative parity states in 27 O. Previous experiments based on the proton knockout of 26 F suffered from the low cross sections for the population of excited states in 25 O because of low spectroscopic factors. In this respect, neutron transfer reactions carry more promise.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Groundwater management of a highly dynamic karst by assessing baseflow and quickflow with a rainfall-discharge model (Dardennes springs, SE France)

This paper aims at characterizing the groundwater flow in a highly dynamic karst aquifer using a global modeling approach based on rainfall and spring discharge time series. The Dardennes aquifer (SE France) was studied as it is used for drinking water supply and it also produces karst flash floods that increase the flood hazard downstream in urban areas. Three years of data were available, including a normal rainy year, a wet year and a dry year. Modeling was performed with the new platform KarstMod, a rainfall-discharge model with calibration tools. The Dardennes aquifer model was structured with three interconnected reservoirs: Epikarst, Matrix, and Conduit. Using this modeling approach, we were able to determine the groundwater hydrograph separation of the karst spring discharge, at the annual scale and at the event scale (flood). This gives insight into the low flow (Matrix) available for the drinking water demand and the fast flow (Conduit) that generates flash floods. In such a dynamic aquifer, part of the water budget cannot be accounted for by water resources as fast flow is not stored within the aquifer and is not available for the drinking water demand. The results were compared with the current groundwater management to determine whether the withdrawal is sustainable. Depending on whether it is a wet or a dry year, the proportion of slow flow ranges from 27 to 61% of the total discharge, respectively. During floods in high water periods, the proportion of quickflow increases drastically up to more than 90% of the spring discharge. In the case of a 300 mm/d simulated Mediterranean rainfall event, the mean daily peak value may reach 74 m 3 /s. This discharge can be reduced if the aquifer is previously depleted, which increases the storage within the aquifer. Coupling the geological context and the model results opens up future perspectives for the active management of the karst aquifer.

58 GEOSCIENCES↗

Analytical models of the strength and ductility of CNT reinforced metal matrix nano composites under elevated temperatures

Carbon nanotubes (CNTs) can greatly enhance the strength of metal matrix composites while resulting in ductility loss. This strength-ductility tradeoff dilemma always confines the development of material design and real-life applications. Here in this work, a temperature dependent strengthening analytical model is proposed for CNT reinforced metal matrix composites which considers three common strengthening mechanisms: Orowan looping effect, thermal expansion mismatch effect, and load bearing effect. The proposed model can predict composite material strength with different volume fractions of CNTs and under different temperatures. Combining the strengthening model with the stress based modified Mohr-Coulomb (sMMC) ductile fracture model, a ductility analytical model is then derived. This ductility analytical model includes the influences of temperature, multi-axial stress loading conditions, as well as the aforementioned three strengthening mechanisms. A good agreement has been achieved between literature published experimental data and analytical predictions for both composite material strength and ductility loss. The proposed two analytical models can provide a straightforward way to study the strength-ductility relationship for CNT reinforced metal matrix composites over a wide range of temperatures and different stress states, and then provide guidance on new material design and processing.

36 MATERIALS SCIENCE↗

Regularity of Solutions to Quasilinear Parabolic Systems with Time-Nonsmooth Principal Matrix and the Neumann Boundary Condition

We consider a quasilinear parabolic system of equations with nondiagonal principal matrix in a model parabolic cylinder with the Neumann condition on the plane part Γ of the lateral surface of the cylinder. We prove the partial regularity (the Hölder continuity) of the weak solution in a neighborhood of Γ by the method of A(t)-caloric approximations adapted to the problem with the Neumann boundary condition.

97 MATHEMATICS AND COMPUTING↗

Mechanisms of Ti 3 Al precipitation in hcp α -Ti

Here, nucleation and growth of Ti3Al α( 2 ) ordered domains in alpha-Ti-Al-X alloys were characterised using a combination of transmission electron microscopy, atom probe tomography and small angle X-ray scattering. Model alloys based on Ti-7Al (wt.%) and containing O, V and Mo were aged at 550 °C for times up to 120d and the resulting precipitate dispersions were observed at intermediate points. Precipitates grew to around 30nm in size, with a volume fraction of 6-10% depending on tertiary solutes. Interstitial O was found to increase the equilibrium volume fraction of α 2 , while V and Mo showed relatively little influence. Addition of any of the solutes in this study, but most prominently Mo, was found to increase nucleation density and decrease precipitate size and possibly coarsening rate. Coarsening can be described by the Lifshitz-Slyozov-Wagner model, suggesting a matrix diffusion-controlled coarsening mechanism (rather than control by interfacial coherency). Solutionising temperature was found to affect nucleation number density with an activation energy of E f = 1.5 +/- 0.4 eV, supporting the hypothesis that vacancy concentration affects α 2 nucleation. The observation that all solutes increase nucleation number density is also consistent with a vacancy-controlled nucleation mechanism.

36 MATERIALS SCIENCE↗

A high-pressure X-ray diffraction study of the crystalline phases in calcium aluminate cement paste

Calcium aluminate cement (CAC) has wide application in civil engineering and castable refractory materials. The main binding phases of hardened CAC paste, CaO·Al{sub 2}O{sub 3}·10H{sub 2}O (CAH{sub 10}), inevitably converts to 2CaO·Al{sub 2}O{sub 3}·8H{sub 2}O (C{sub 2}AH{sub 8}), 3CaO·Al{sub 2}O{sub 3}·6H{sub 2}O (C{sub 3}AH{sub 6}) and Al(OH){sub 3} (AH{sub 3}), leading to a significant change in the mechanical properties of the CAC matrix. This work investigates the mechanical properties of the main crystalline components in hydrated and/or converted CAC systems, using synchrotron-radiation-based high-pressure X-ray diffraction. The anisotropic deformations of CaAl{sub 2}O{sub 4} (CA), CAH{sub 10} and C{sub 3}AH{sub 6} along each crystallographic direction are investigated, along with their bulk moduli. The density-driven stiffening hypothesis is validated for the studied phases and other cement-based minerals. An atom-scale topological analysis is proposed to explain the unusually high stiffness of CAH{sub 10}. The results provide fundamental information to understand the mechanical properties of single cement-based phases at molecular level, and enable predicting the changing mechanical properties of converted CAC matrix using homogenization models.

36 MATERIALS SCIENCE↗

Optimization of four terminal rear heterojunction GaAs on Si interdigitated back contact tandem solar cells

High-efficiency, four-terminal tandem solar cells composed of thin GaAs films mechanically stacked onto interdigitated back contact silicon solar cells with a glass interlayer are demonstrated. The optimal thickness of the absorber layer of a rear heterojunction GaAs subcell for use in four terminal tandem solar cells was studied. GaAs top cells with absorber layer thicknesses of 1.5, 1.9, 2.3, 2.8, and 3.5 µm were fabricated on glass and mechanically stacked onto interdigitated back-contact Si bottom cells. All tandem cells were found to have efficiencies above 30% under the AM1.5 G spectrum demonstrating a relatively weak sensitivity to thickness in the four-terminal configuration. We found the 2.8 µm absorber layer cell to have the highest top cell and tandem cell efficiency at 26.38% and 32.57%, respectively. Optical modeling with transfer matrix method for the planar top cell and Lambertian light trapping in the textured Si subcell, along with drift-diffusion Hovel equations, were used to show photon recycling enhancement to the effective diffusion length and VOC of the top cell as a result of the low-index glass interlayer.

14 SOLAR ENERGY↗

Flow annealed importance sampling bootstrap meets differentiable particle physics

High-energy physics requires the generation of large numbers of simulated data samples from complex but analytically tractable distributions called matrix elements. Surrogate models, such as normalizing flows, are gaining popularity for this task due to their computational efficiency. We adopt an approach based on flow annealed importance sampling bootstrap (FAB) that evaluates the differentiable target density during training and helps avoid the costly generation of training data in advance. We show that FAB reaches higher sampling efficiency with fewer target evaluations in high dimensions in comparison to other methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Irradiation Effect on Noble Metal Particles in Water Using in situ Liquid Cell STEM Observation

During geologic disposal of spent nuclear fuel (SNF) in an engineered nuclear waste repository, once all other barriers have degraded, oxidizing may occur at the solid-water interface owing to a self-generated radiolytic field. The repository design includes large quantities of iron (Fe), that is anticipated to corrode under an anoxic environment, and generate hydrogen (H 2 ) gas. This H 2 gas is thought to be able to suppress the dissolution of SNF through a catalytic reaction with noble metal particles (NMP) that are pre-existing in the SNF. This interaction leads to the decomposition of the major oxidant, hydrogen peroxide (H 2 O 2 ). In conclusion, these processes are described in the Fuel Matrix Degradation (FMD) model that is being used to predict SNF degradation rates. The NMP, therefore, plays an important role within the FMD model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Integrable nonunitary quantum circuits

Here we show that the integrable Lindblad superoperators found recently can be used to build integrable nonunitary quantum circuits with two-site gates by demonstrating that the R(SIC) matrices are completely positive and trace preserving. Using the bond-site transformation, we obtain the corresponding integrable nonunitary quantum circuits with three-site gates. When restricted to the diagonals of the density matrix, these quantum models reduce to integrable classical cellular automata. This approach may pave the way for a systematic construction of circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Thermal fluctuations and carrier localization induced by dynamic disorder in MAPbI 3 described by first-principles based tight-binding model

Halide perovskites are strongly influenced by large amplitude anharmonic lattice fluctuations at room temperature. We develop a tight binding model for dynamically disordered MAPbI$_3$ based on density functional theory (DFT) calculations to calculate electronic structure for finite temperature crystal structures at the length scale of thermal disorder and carrier localization. The model predicts individual Hamiltonian matrix elements and band structures with high accuracy, owing to the inclusion of additional matrix elements and descriptors for non-Coulombic interactions. We apply this model to electronic structure at length and time scales inaccessible to first principles methods, finding an increase in band gap, carrier mass, and the sub-picosecond fluctuations in these quantities with increasing temperature as well as the onset of carrier localization in large supercells induced by thermal disorder at 300 K. Finally, we identify the length scale $L^*= 5$ nm as the onset of localization in the electronic structure, associated with associated with decreasing band edge fluctuations, increasing carrier mass, and Rashba splitting approaching zero.

36 MATERIALS SCIENCE↗

On Rank Selection for Nonnegative Matrix Factorization

Rank selection, i.e. the choice of factorization rank, is the first step in constructing Nonnegative Matrix Factorization (NMF) models. It is a long-standing problem which is not unique to NMF, but arises in most models which attempt to decompose data into its underlying components. Since these models are often used in the unsupervised setting, the rank selection problem is further complicated by the lack of ground truth labels. In this paper, we review and empirically evaluate the most commonly used schemes for NMF rank selection.

Eswar, Srinivas [Argonne National Laboratory]↗

Pulsar Movement Animation and its Corresponding Signal Visualization for Timing Source

The global positioning system, widely used for synchronization in energy systems, faces vulnerabilities, while Pulsars—natural cosmic clocks—offer long-term stability as potential backup timing sources. Existing research lacks sufficient exploration of Pulsar signal animation under astrophysical factors, limiting practical applications. This study establishes a mathematical model based on the rotation dynamics of dual-beam Pulsars and implements dynamic signal visualization through MATLAB. The model dynamically illustrates the relative motion between Pulsar beams and observers via timeline calculations, beam intensity modeling, and rotation matrix derivation. A case study on the millisecond Pulsar J1939+2134 reveals that observer angles influence signal peak timing, while beam widths determine signal duration, highlighting the critical role of parameter calibration for timing accuracy. Open-source code and animation results are publicly shared, providing tools for interdisciplinary research. This study validates the feasibility of Pulsar-based timing in energy systems, offering new insights to enhance synchronization robustness.

Wu, Ori [ORNL] (ORCID:0000000326723410)↗

CombAlign: a code for generating a one-to-many sequence alignment from a set of pairwise structure-based sequence alignments

In order to better define regions of similarity among related protein structures, it is useful to identify the residue-residue correspondences among proteins. Few codes exist for constructing a one-to-many multiple sequence alignment derived from a set of structure or sequence alignments, and a need was evident for creating such a tool for combining pairwise structure alignments that would allow for insertion of gaps in the reference structure. This report describes a new Python code, CombAlign, which takes as input a set of pairwise sequence alignments (which may be structure based) and generates a one-to-many, gapped, multiple structure- or sequence based sequence alignment (MSSA). The use and utility of CombAlign was demonstrated by generating gapped MSSAs using sets of pairwise structure-based sequence alignments between structure models of the matrix protein (VP40) and pre-small/secreted glycoprotein (sGP) of Reston Ebolavirus and the corresponding proteins of several other filoviruses. The gapped MSSAs revealed structure-based residue-residue correspondences, which enabled identification of structurally similar versus differing regions in the Reston proteins compared to each of the other corresponding proteins. CombAlign is a new Python code that generates a one-to-many, gapped, multiple structure- or sequence-based sequence alignment (MSSA) given a set of pairwise sequence alignments (which may be structure based). CombAlign has utility in assisting the user in distinguishing structurally conserved versus divergent regions on a reference protein structure relative to other closely related proteins. CombAlign was developed in Python 2.6, and the source code is available for download from the GitHub code repository.

59 BASIC BIOLOGICAL SCIENCES↗

Phase-shifted Bragg gratings in a foundry silicon nitride platform

Bragg gratings are key optical elements for applications in communications, sensing, and lasers. Phase-shifted Bragg gratings are a special case where the simple periodic structure is altered to allow a narrow spectral passband within the optical bandgap. Here, we demonstrate phase-shifted silicon nitride gratings fabricated using 193 nm deep ultraviolet lithography (DUV) on the AIM Photonics 300 mm silicon photonics foundry line. We measure the grating properties and verify the results with a transfer-matrix method (TMM) model. The standard grating expressions for extracting the coupling coefficient κ and bandwidth do not apply and are updated to account for the phase shift. These results inform future designs for on-chip grating filters and distributed feedback (DFB) lasers.

Husko, Chad (ORCID:0000000271252518)↗

In-Situ Liquid Cell Transmission Electron Microscopy of Nanoparticles from Spent Nuclear Fuel

Noble Metal Particles (NMP) that are present in SNF play an important role in the Fuel Matrix Degradation (FMD) Model that is being considered for predicting the release rate of radionuclides from a waste package. Previous characterization of chemically separated NMP from SNF showed that these were well-crystallized nanoparticles containing Mo, Tc, Ru, Rh, and Pd with some evidence of actinides. These same chemically separated particles were re-characterized following 10 years of storage as the separated material in water. Scanning Transmission Electron Microscopy (STEM) analysis revealed that significant alteration had occurred in this material during storage, resulting in the almost complete degradation of the NMP. We hypothesized that radiolytic damaged had occurred in the material. To support these concepts, we synthesized a mixed Ru-Pd nanoparticle and subjected it to irradiation in the electron microscope in an in-situ liquid cell. We demonstrated that intense radiation can lead to the decomposition of these metallic particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗