Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MATRIX”

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 73 records · Page 4

Robust Implicit Adaptive Low Rank Time-Stepping Methods for Matrix Differential Equations

In this work, we develop implicit rank-adaptive schemes for time-dependent matrix differential equations. The dynamic low rank approximation (DLRA) is a well-known technique to capture the dynamic low rank structure based on Dirac–Frenkel time-dependent variational principle. In recent years, it has attracted a lot of attention due to its wide applicability. Our schemes are inspired by the three-step procedure used in the rank adaptive version of the unconventional robust integrator (the so called BUG integrator) (Ceruti et al. in BIT Numer Math 62(4):1149–1174, 2022) for DLRA. First, a prediction (basis update) step is made computing the approximate column and row spaces at the next time level. Second, a Galerkin evolution step is invoked using an implicit solves for the small core matrix. Finally, a truncation is made according to a prescribed error threshold. Since the DLRA is evolving the differential equation projected on to the tangent space of the low rank manifold, the error estimate of the BUG integrator contains the tangent projection (modeling) error which cannot be easily controlled by mesh refinement. This can cause convergence issue for equations with cross terms. To address this issue, we propose a simple modification, consisting of merging the row and column spaces from the explicit step truncation method together with the BUG spaces in the prediction step. In addition, we propose an adaptive strategy where the BUG spaces are only computed if the residual for the solution obtained from the prediction space by explicit step truncation method, is too large. Here, we prove stability and estimate the local truncation error of the schemes under assumptions. We benchmark the schemes in several tests, such as anisotropic diffusion, solid body rotation and the combination of the two, to show robust convergence properties.

97 MATHEMATICS AND COMPUTING↗

Estimating QSVT angles for matrix inversion with large condition numbers

Quantum Singular Value Transformation (QSVT) is a state-of-the-art, near-optimal quantum algorithm that can be used for matrix inversion. The QSVT circuit is parameterized by a sequence of angles that must be pre-calculated classically, with the number of angles increasing as the matrix condition number grows. Computing QSVT angles for ill-conditioned problems is a numerically challenging task. Here, we propose a numerical technique for estimating QSVT angles for large condition numbers. This technique allows one to avoid expensive numerical computations of QSVT angles and to emulate QSVT circuits for solving ill-conditioned problems.

97 MATHEMATICS AND COMPUTING↗

Advanced polymer impregnation and pyrolysis (PIP) of SiOC-based ceramic matrix composites (CMCs)

Silicon carbide (SiC) ceramic matrix composites (CMCs) are valued for their high-temperature properties, making them ideal for harsh environments. However, conventional polymer impregnation and pyrolysis (C-PIP) often result in porous composites and require numerous cycles for densification. This study introduces the advanced PIP (A-PIP) method using a crosslinked polycarbosiloxane (PCS) precursor to enhance densification efficiency. Five SiC CMCs were fabricated using C-PIP and A-PIP, with variations in fiber reinforcement and fiber coatings. A-PIP achieved up to 19 % higher density and 78 % lower porosity in 79–86 % less processing time compared to C-PIP. Moreover, SiC-SiOC composites with boron nitride-coated fibers showed significant improvements in tensile strength (11 MPa to 134 MPa) and strain at maximum strength (0.01–0.11 %), underscoring the role of weak fiber-matrix interfaces. In conclusion, these results demonstrate A-PIP's potential to produce dense, low-porosity SiC CMCs more efficiently, significantly reducing manufacturing time and costs.

36 MATERIALS SCIENCE↗

Additive manufacturing of metal matrix composites

Although Metal matrix composites (MMCs) are superior to most sought-after metallic alloys, their challenging fabricability has limited their widespread use in bulk-form applications. Among the many advanced fabrication techniques, Additive Manufacturing (AM), owing to its unique capabilities to produce near-net shapes, has drawn significant traction in the past two decades, especially for materials that are difficult to process using traditional methods. However, unlike pure metal/alloy systems, MMCs are highly sensitive to the processing conditions prevailing in AM techniques due to factors such as the high melting point of reinforcement particles and the potential for in-situ reactions. Therefore, it may be a while before metal matrix composites are commercially produced via AM. This review will discuss the current state-of-the-art design, fabricability, and performance of various additively manufactured MMCs. A particular focus will be on microstructural evolution and microstructure-property relationships. The most employed AM techniques, such as directed energy deposition, powder bed fusion, binder jetting, sheet lamination, and solid-state friction stir processing, are fundamentally different in terms of thermo-kinetics, forming the perspective for this review. A detailed comparison of microstructural evolution and process parameter optimization, including feedstock preparation methods and the role of machine learning and modeling among the different AM processes, is also presented. Finally, a critical evaluation of emerging AM technologies for MMCs is also provided, highlighting their potential advantages and challenges.

36 - MATERIALS SCIENCE↗

Exciton-Defect Interaction and Optical Properties from a First-Principles T-Matrix Approach

Understanding exciton-defect interactions is critical for optimizing optoelectronic and quantum information applications in many materials. However, ab initio simulations of material properties with defects are often limited to high defect density. Here, we study effects of exciton-defect interactions on optical absorption and photoluminescence spectra in monolayer MoS 2 using a first-principles T-matrix approach. We demonstrate that exciton-defect bound states can be captured by the disorderaveraged Green’s function with the T-matrix approximation and further analyze their optical properties. Our approach yields photoluminescence spectra in good agreement with experiments and provides a new, computationally efficient framework for simulating optical properties of disordered 2D materials from firstprinciples.

T-matrix↗

High-Temperature Neutron Diffraction Study of Vanadium and Vanadium–Niobium Null-Matrix Alloy for Spectrum Normalization

This study systematically evaluates a vanadium–niobium (V 94.1 Nb 5.9 ) null-matrix alloy as a reference material for neutron spectrum normalization and compares its performance with that of pure vanadium under identical experimental conditions. Neutron diffraction experiments are conducted on the VULCAN Engineering Materials Diffractometer at the Spallation Neutron Source, Oak Ridge National Laboratory, over a temperature range from room temperature to 1200 °C under vacuum. Pure vanadium exhibited distinct Bragg peaks across all temperatures, with its diffraction behavior influenced by both sample orientation and temperature. As the temperature increased, the diffraction peaks shifted to larger d-spacings and decreased in intensity, while spectral deviation near d ≈ 2.8 Å exceeded 10% at 1200 °C. In contrast, the V–Nb alloy produced a nearly featureless spectrum over the full d-spacing range, confirming near-complete cancellation of coherent scattering over the wide temperature range. Its spectra were insensitive to sample orientation, temperature, and microstructural evolution, with spectral deviation around d ≈ 2.8 Å exceeded 5% at 1200 °C. In conclusion, these results demonstrate that the V–Nb null-matrix alloy provides a thermally stable, efficient, and reliable normalization standard for time-of-flight diffractometers or other instrument where it is needed, enabling reduced data acquisition time and improved data quality in high-temperature neutron diffraction experiments.

Alloys↗

𝐴𝑏 initio density-matrix approach to exciton coherence: Phonon scattering, Coulomb interactions, and radiative recombination

Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition-metal dichalcogenides, quasi-two-dimensional excitonic semiconductors in which atomistic design allows for tunable excited-state properties, such as relaxation lifetimes and photoinduced coherence. In this work, we present a density-matrix-based approach to compute exciton relaxation within a many-body ab initio perspective. We expand our previously developed Lindblad density-matrix formalism to capture multichannel electron-hole pair relaxation processes, including phonon and Coulomb scattering as well as radiative recombination, and we study their effect on the time-resolved excited-state propagation. Using monolayer MoSe 2 as a prototypical example, we examine many-body effects on the time-dependent dynamics of photoactive excitations, exploring how the electron-hole pair interactions are reflected in variations of the excitation energy, spectral signature, and state coherence. In conclusion, our method supplies a detailed understanding of exciton relaxation mechanisms in realistic materials, offering a previously unexplored pathway to study excited-state dynamics in semiconductors from first principles.

Band structure methods↗

Data from a four-day long microcosm experiment addressing the destabilization of artificial mineral-associated organic matter by model root exudates embedded in a soil matrix from the Rocky Mountain Biological Laboratory (Gothic, CO, USA), 2019

This dataset provides data collected during a four-day long laboratory soil microcosm experiment testing the efficacy of root exudate-driven mineral-associated organic matter destabilization. This dataset contains four data files in comma-separate values (*.csv). The files provide the metadata and the experimental results on microbial respiration, MAOM-derived respiration, and sequential mineral-extractions. This data was used to produce the figures in Bölscher et al., 2026. The results of the experiment can be found in the open access article Bölscher et al., 2026 (https://doi.org/10.1016/j.soilbio.2026.110276). Abstract: Mineral-associated organic matter (MAOM) is often considered stable, but root exudates can destabilize MAOM via various pathways. Theory and model system studies suggest that direct MAOM destabilization by strong ligands, like oxalic acid, or reducing agents, like catechol, is more effective than indirect, microbial-mediated MAOM destabilization, stimulated by less reactive compounds like glucose. Here, we demonstrate that the presence of a soil matrix alters the efficacy of exudate-driven MAOM destabilization pathways. Glucose and catechol destabilized significantly greater amounts of MAOM from ferrihydrite and aluminum hydroxide (Al (OH)3) embedded in a soil matrix than oxalic acid. Our findings indicate that indirect, microbial-mediated MAOM destabilization may play a larger role than direct MAOM destabilization in soil environments.

Destabilization↗

Physics-Informed Machine Learning Model for Ceramic Matrix Composite Creep

A physics-informed recurrent neural network (RNN) based surrogate model is developed to emulate the nonlinear, time-dependent constitutive behavior of ceramic matrix composites (CMCs) driven by matrix damage and constituent creep at the microscale. Physics-informed constraints are introduced into the surrogate model through regularization to ground the prediction in physics and improve its predictive capabilities. Training data is generated using the high-fidelity generalized method of cells (HFGMC) approach which calls appropriate creep and damage models for each of the constituents. This coupling permits simulating the nonlinear behavior of CMCs based on constituent response at the microscale along with microstructural features such as fiber and porosity volume fraction and fiber radius. The microscale repeating unit cell is loaded under creep fatigue conditions to replicate the material loading experienced in a turbine engine. Therefore, the RNN-based surrogate model is tasked with predicting, as a function of variable input stress sequence, temperature, and microstructural features, the resulting strain history response while satisfying physical constraints related to creep rate, isochoric inelastic deformation, and strain energy density. The trained surrogate model is shown to effectively match the strain history over quantified distributions of microstructural features and relevant loading regimes and temperatures. Neural network based surrogate models can offer efficient alternatives to running computationally intensive multiscale material models to simulate the nonlinear response of large structural models. Therefore, the presented work provides evidence towards the feasibility of developing, training, and running such models for CMCs with complex microstructures, nonlinear time-dependent material response, and under non-monotonic loading conditions.

ceramic matrix composites↗

Simplified, Infiltration-free Ceramic Matrix Composite Manufacturing

Manufacturing of ceramic matrix composites (CMCs) with carbon fiber and carbon matrix includes a time- and labor-intensive ceramic infiltration step that is responsible for more than half of the total manufacturing cost. To make CMCs cost-competitive in price-sensitive markets, like concentrated solar power, it is essential to develop a CMC manufacturing process that skips the ceramic infiltration process. In this work, we will show how a high-char-yield preceramic resin can eliminate the infiltration step while maintaining material density and evaluate the technoeconomic impact of our CMC manufacturing process. Here, we monitor both morphology and porosity to determine the quality of CMCs made with different preceramic resins and evaluate the impact of polymer infiltration and pyrolyzing cycles.

36 MATERIALS SCIENCE↗

$\mathcal{R}$ -matrix analysis of η + nat Cl reactions relevant to molten-salt reactor designs [Abstract]

Performed with support from the U.S. Nuclear Criticality Safety Program in an effort to provide improved chlorine cross section and corresponding covariance data, the R-matrix analysis of neutron induced reactions for two stable chlorine isotopes, 35,37 Cl, was performed in the energy range of thermal up to 1.2 MeV. Starting from the repository of the ENDF/B-VIII.0 library and following recent measurement campaigns, this work represents a significant improvement in the evaluation of the ( η , p ) reaction channel. The evaluation methodology uses the $\mathcal{R}$ -matrix code SAMMY to generate a set of Reich-Moore resonance parameters. As predicted by recently measured 35 Cl( η , p ) data, the presented evaluation features a dramatic increase in the magnitude of the ( η , p ) reaction channel over the ENDF/B-VIII.0 and previous nuclear data ENDF/B released libraries. Together with details of the evaluation procedure, the impact of the updates in the outgoing proton emissions on reactivity coefficients for different molten-salt reactor designs is presented and discussed.

charged-particle↗

Perovskite Grown in Gallium Nitride Nanowire Matrix for Stable and High‐Efficiency X‐Ray Detection

High-quality quasi-2D perovskites in a GaN nano-wire matrix are grown to build a 3D hetero-structure for high-performance X-ray sensing. In the 3D hetero-structure, GaN nano-wire matrix serves as an n-type charge collector that can rapidly extract carriers through the bulk film of the perovskite layer. Together with a p-type top electrode, a p–i–n diode with the 3D hetero-structure is built, that exhibits a rectified current–voltage characteristic. After analyzing the interface energy alignment, it is found that the fermi levels of the perovskite and GaN are aligned in the dark, and a quasi-fermi level splits upon illumination, introducing a built-in electrical field at the interface. As a result, strong photo-induced current is observed from the diode without an external field. Finally, the 3D diode for X-ray detection demonstration is used, revealing a sensitivity of 308.9 µC Gy air -1 cm -2 at an exceptionally low applied field of 0.125 V µm -1 . The X-ray-induced signal from the 3D diode is stable after 155 cycles of X-ray irradiation under a constant electric field. This demonstration informs a new 3D architecture for high-performance X-ray sensing, and it shows that GaN is a robust n-type interface for perovskite optoelectronic devices.

36 MATERIALS SCIENCE↗

BAD2matrix: Phylogenomic matrix concatenation, indel coding, and more

Common steps in phylogenomic matrix production include biological sequence concatenation, morphological data concatenation, insertion/deletion (indel) coding, gene content (presence/absence) coding, removing uninformative characters for parsimony analysis, recording with reduced amino acid alphabets, and occupancy filtering. Existing software does not accomplish these tasks on a phylogenomic scale using a single program. BAD2matrix is a Python script that performs the above-mentioned steps in phylogenomic matrix construction for DNA or amino acid sequences as well as morphological data. The script works in UNIX-like environments (e.g., LINUX, MacOS, Windows Subsystem for LINUX).

59 BASIC BIOLOGICAL SCIENCES↗

Tribological behavior of hybrid Aluminum-TiB 2 metal matrix composites for brake rotor applications

Here, this research investigates the feasibility of hybrid aluminum metal matrix composites (MMC) incorporating TiB 2 particles for brake rotor applications. The composites were produced by incorporating both in-situ, submicron-sized TiB 2 particles and regular micron-sized TiB 2 powders via stir and squeeze casting techniques into A206 aluminum alloy matrix. Systematic adjustments in the fractions of in-situ and ex-situ TiB 2 particles were conducted to evaluate their impact on wear behavior and mechanisms. Combination of both particle types allowed composites with up to 10 vol% of reinforcements. Composites with higher proportions of ex-situ particles demonstrated increased wear resistance compared to those solely composed of in-situ particles, control specimens without TiB 2 , and conventional cast iron counterparts. The lowest wear rate for the hybrid composites sliding against phenolic brake pads was 1.1 × 10 -5 mm 3 /Nm, signifying a 3-fold reduction relative to cast iron sliding against the same pads. Wear analysis elucidated distinctive mechanisms within the hybrid composites, characterized by mild fragmented abrasive wear, adhesive wear, and plastic deformation, accompanied by the formation of an intermixed tribo-oxide layer.

42 ENGINEERING↗

Experimental and Computational Evaluation of Lipidomic In-Source Fragmentation as a Result of Postionization with Matrix-Assisted Laser Desorption/Ionization

Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) can provide spatially resolved molecular information about a sample. Recently, a postionization approach (MALDI-2) has been commercially integrated with MALDI-MSI, allowing for bettered sensitivity and consequent improved spatial resolution. While advantages of MALDI-2 have previously been established, we demonstrate here statistically increased in-source fragmentation (ISF) results from postionization with a commercial instrument. Via lipid standard analyses, known MALDI ISF pathways (e.g., loss of trimethylamine) were statistically increased in MALDI-2 compared to MALDI-1 (65–172% increase in fragmentation). Gas phase molecular modeling with density functional theory estimated that the most-weighted virtual orbitals to excite within lipids involve ester and phosphate bonds. Protonated lipid excitation energies are furthermore red-shifted compared to those of other adduct types [e.g., 254 nm for protonated PC(16:0/18:1)] and approach the MALDI-2 laser energy (266 nm). Analysis of rat brain homogenate detected statistically more positive-ion mode peaks with MALDI-2 (1090) than that with MALDI-1 (719), where Kernel density estimations showed that the majority of this enhancement occurs with low m/z ions (i.e., m/z 75–500). Taken together with the lipid standard data, these observations may indicate ISF due to postionization. Finally, while artifact contributions from matrix blanks were also noted, both experimental and computational data sets suggest that the overall extent of ISF is statistically increased in MALDI-2 compared to MALDI-1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Achieving strength-ductility synergy in hierarchical aluminum metal matrix composites via friction extrusion

We report the fabrication of aluminum metal matrix composites (Al-MMCs) with hierarchical architectures via friction extrusion (FE), a scalable, single-step, solid-phase processing technique. Precursor pucks containing 0–15 vol% Al₂O₃ particles were extruded into fully dense AA6061-based composite rods. The FE induced a tree-ring-like architecture of concentric particle-rich and particle-lean bands, yielding refined grains in particle-rich regions and coarser grains elsewhere. At the nanoscale, magnesium in AA6061 selectively reacted with Al₂O₃ particles to form virus-like nodes, improving particle–matrix bonding. This multi-scale design strategy, combining mesoscale architecture, microscale grain refinement, and nanoscale interface engineering overcome the conventional strength–ductility trade-off. Tensile testing showed substantial increases in yield and ultimate tensile strengths while retaining high ductility ( > 20%). Enhanced strain hardening, driven by the accumulation of geometrically necessary dislocations at interfaces, contributed to the performance. The hierarchical microstructure produced by FE demonstrates a promising pathway for scalable fabrication of lightweight MMCs for structural applications requiring a combined high strength and ductility.

Kalsar, Rajib [Pacific Northwest National Laborato↗

Interface instabilities in hafnium hydride entrained iron metal matrix composites

The chemical interactions in Fe–HfH 2 metal matrix composites (MMCs) are studied across multiple length scales to elucidate the decomposition of the parent phases and corresponding reaction zone physics during direct current sintering. Fe–HfH 2 composites were synthesized with increasing as-mixed hydride contents of Fe–25% HfH 2 , Fe–40% HfH 2 , Fe–55% HfH 2 , and Fe–70% HfH 2 (all in vol. %) to demonstrate the ability to achieve sintered MMCs with target hydride contents. Samples were probed across multiple length scales through a multi-modal workflow employing x-ray diffraction, scanning electron microscopy and segmentation analysis, and synchrotron techniques including hard x-ray fluorescence mapping and nanoprobe x-ray absorption near-edge structure measurements. Under the selected sintering temperature and pressure conditions, hydrogen evolution is seen to evolve through parallel paths: thermal decomposition from during the transformation of HfH 2 to HfH x<2 and through subsequent reaction with the Fe matrix leading to intermetallic phase formation. Specifically, HfFe and HfFe 2 intermetallic formation accelerates the release of hydrogen with a subsequent HfO 2 phase forming at grain boundaries. For this MMC, the consumption or loss of hydrogen can be considerable in compacts with initial hydride loading of 25%–40% HfH 2 approaching 83% hydrogen loss for the lower volume fraction composites. Increasing the volume fraction of HfH 2 to 70% enhanced the retained hydrogen content to 53% and attributed to the reduced interfacial area intrinsic to the increased HfH 2 loading in this MMC.

36 MATERIALS SCIENCE↗

4D beam matrix reconstruction in particle accelerators

Transverse beam parameters in particle accelerators are commonly described using the Twiss parameters, which are experimentally accessible yet inherently limited because they neglect correlations between different transverse coordinates. Such correlations frequently arise from uncompensated cathode magnetic fields or misaligned focusing quadrupoles, affecting beam quality and accelerator performance. To address this limitation, we propose and validate a novel diagnostic method for the complete four-dimensional (4D) transverse beam matrix. Our method involves passing the beam through a beamline comprising both conventional and skew quadrupole magnets, followed by downstream measurements of the resulting two-dimensional (2D) beam profiles. These measurements represent distinct 2D projections of the underlying 4D transverse phase–space distribution. By systematically varying quadrupole strengths, multiple independent projections of the beam phase space are obtained. We reconstruct the original 4D beam matrix from these measured projections using an optimization-based least-square fit, providing fast and robust reconstruction regardless of the specific beamline configuration. Through extensive numerical simulations and realistic particle-tracking studies, we demonstrate the diagnostic’s accuracy, robustness, and capability to achieve reconstruction uncertainties smaller than measurement errors, particularly when employing sufficient numbers of quadrupole scans. This method presents a powerful and flexible approach for comprehensive beam characterization and accelerator tuning.

43 PARTICLE ACCELERATORS↗