Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Effective properties”

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum Effect on the Ground State of the Triple-Perovskite Ba 3 MNb 2 O 9 (M = Co, Ni, and Mn) with Triangular-Lattice

As the simplest example of geometrical frustration, the two-dimensional triangular lattice antiferromagnet exhibits the mismatch between the lattice geometry and spin-exchange interaction, which has been the subject of intensive studies due to its exotic quantum phenomena. In this work, we performed detailed studies of the magnetic structures and spin wave excitations by neutron powder diffraction and inelastic neutron scattering measurements on the triple-perovskite oxides Ba 3 MNb 2 O 9 (M = Co, Ni, and Mn) with triangular-lattice geometry. The interplay between the frustrated interaction and easy-plane/axis anisotropy gives rise to two magnetic phase transition temperatures for Ba 3 CoNb 2 O 9 (Ba 3 MnNb 2 O 9 ) and only one for Ba 3 NiNb 2 O 9 . The linear spin-wave theory +1/S calculations indicate that both spatial dimensionality and the spin size have a significant impact on the strength of quantum fluctuations, which lead to their different magnetic ground states and exotic physical properties. Moreover, the effects of the thermal fluctuations are presented for Ba 3 NiNb 2 O 9 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The Impact of Void-finding Algorithms on Galaxy Classification

We explore how the definition of a void influences the conclusions drawn about the impact of the void environment on galactic properties using two void-finding algorithms in the Void Analysis Software Toolkit: Voronoi Voids (V 2 ), a Python implementation of ZOnes Bordering On Voidness (ZOBOV); and VoidFinder, an algorithm that grows and merges spherical void regions. Using the Sloan Digital Sky Survey Data Release 7, we find that galaxies found in VoidFinder voids tend to be bluer and fainter and to have higher (specific) star formation rates than galaxies in denser regions. Conversely, galaxies found in V 2 voids show less significant differences when compared to galaxies in denser regions, less consistent with the large-scale environmental effects on galaxy properties expected from both simulations and previous observations. These results align with previous simulation results that show V 2 -identified voids “leak” into the dense walls between voids because their boundaries extend up to the density maxima in the walls. As a result, when using ZOBOV-based void-finders, galaxies likely to be part of wall regions are instead classified as void galaxies, a misclassification that can be critical to our understanding of galaxy evolution.

cosmic web↗
DOE OSTI2021

Three-Dimensional CFD Investigation of Pre-Spark Heat Release in a Boosted SI Engine

Low-temperature heat release (LTHR) in spark-ignited internal combustion engines is a critical step toward the occurrence of auto-ignition, which can lead to an undesirable phenomenon known as engine knock. As such, correct predictions of LTHR are of utmost importance to improve the understanding of knock and enable techniques aimed at controlling it. While LTHR is typically obscured by the deflagration following the spark ignition, extremely late ignition timings can lead to LTHR occurrence prior to the spark, i.e., pre-spark heat release (PSHR). In this research, PSHR in a boosted direct-injection SI engine was numerically investigated using three-dimensional computational fluid dynamics (CFD). A hybrid approach was used, based on the G-equation model for representing the turbulent flame front and the multi-zone well-stirred reactor model for tracking the chemical reactions within the unburnt region. A recently developed best practice was also employed which keeps the well-stirred reactor model active throughout the entire simulation. This allowed for correct predictions of the previous cycle trapped residuals which have a considerable effect on the onset of LTHR. Multi-cycle simulations were conducted using Co-Optima alkylate and E30 fuels. The predicted in-cylinder pressure and heat release rate agreed well with the experimental data and served as validation for the CFD model. Following the initial validation, the dynamics of PSHR was discussed and a series of parameters of interest were assessed. First, the effect of exhaust valve temperature was investigated, qualitatively highlighting the importance of boundary conditions uncertainty. Further analyses were carried out on the effects of fuel properties, including laminar flame speed (LFS) and heat of vaporization (HOV). The results indicate that PSHR phasing is slightly advanced with lower LFS as more trapped unburnt fuel is made available for the next cycle. A similar trend was observed with lower HOV as less intense spray cooling led to higher mixture temperatures, i.e., higher mixture reactivity. Finally, a comparison of Co-Optima alkylate and E30 fuels was made using the pressure-temperature trajectory framework. It was shown that the differences between Co-Optima alkylate and E30 in PSHR tendency are correlated with both HOV and chemical effects.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Properties and performance of lignin-based polyurethane foams from lignin and castor oil as synergistic bio-polyols

Lignin and castor oil with intrinsic hydroxyl groups are attractive green resources for polyurethane (PU) applications. However, lignin's heterogeneous and highly crosslinked structure, poor processability, as well as the feedstock variability, lead to inconsistent and poor performance of the final foam products. Castor oil-based polyurethane foam (PUF) has a relatively high price and density, which are big hurdles to its practical applications. Here, in this study, we hypothesized that synergistic bio-polyol mixtures composed of lignin and castor oil could balance the drawbacks from individual component. Castor oil could improve the dispersity of lignin, while lignin simultaneously addressed the issues caused by PUF prepared with castor oil, such as its high density and low thermal stability. For a comprehensive understanding of the effects of structural properties of lignin on its PUF processing and applications, various lignin fractions were isolated by co-solvent enhanced lignocellulosic fractionation (CELF) from different species, including hardwood, softwood, and herbaceous plants, and the processed lignins with different molecular weights were applied with castor oil. The lignin fractions with lower molecular weight showed good dispersity in castor oil with a high lignin content (up to 50 wt%) and completely replaced petroleum-based polyols. The produced foam with 50 wt% low-molecular-weight lignin fractions from woody biomass showed comparable/higher compressive strength (up to 20 psi) and thermal insulation performance (up to 5.69 R-value in −1 for 50 % L-Pine foam). In addition, this study revealed the relationship between lignin's structural properties and foam performance, providing insights for practical applications of lignin-based PUF.

Jeong, Soyeon [State Univ. of New York (SUNY), Syr↗
DOE OSTI2024

The Effect of Interlayer Delay on the Heat Accumulation, Microstructures, and Properties in Laser Hot Wire Directed Energy Deposition of Ti-6Al-4V Single-Wall

Laser hot wire directed energy deposition (LHW-DED) is a layer-by-layer additive manufacturing technique that permits the fabrication of large-scale Ti-6Al-4V (Ti64) components with a high deposition rate and has gained traction in the aerospace sector in recent years. However, one of the major challenges in LHW-DED Ti64 is heat accumulation, which affects the part quality, microstructure, and properties of as-built specimens. These issues require a comprehensive understanding of the layerwise heat-accumulation-driven process–structure–property relationship in as-deposited samples. In this study, a systematic investigation was performed by fabricating three Ti-6Al-4V single-wall specimens with distinct interlayer delays, i.e., 0, 120, and 300 s. The real-time acquisition of high-fidelity thermal data and high-resolution melt pool images were utilized to demonstrate a direct correlation between layerwise heat accumulation and melt pool dimensions. The results revealed that the maximum heat buildup temperature of the topmost layer decreased from 660 °C to 263 °C with an increase to a 300 s interlayer delay, allowing for better control of the melt pool dimensions, which then resulted in improved part accuracy. Furthermore, the investigation of the location-specific composition, microstructure, and mechanical properties demonstrated that heat buildup resulted in the coarsening of microstructures and, consequently, the reduction of micro-hardness with increasing height. Extending the delay by 120 s resulted in a 5% improvement in the mechanical properties, including an increase in the yield strength from 817 MPa to 859 MPa and the ultimate tensile strength from 914 MPa to 959 MPa. Cooling rates estimated at 900 °C using a one-dimensional thermal model based on a numerical method allowed us to establish the process–structure–property relationship for the wall specimens. The study provides deeper insight into the effect of heat buildup in LHW-DED and serves as a guide for tailoring the properties of as-deposited specimens by regulating interlayer delay.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tensile properties of 3D-printed wood-filled PLA materials using poplar trees

Fabrication of renewable materials through additive manufacturing using wood-filled polylactic acid (PLA) is an emerging field of study. The variability in the tensile properties of 3D-printed materials due to the variability in woody biomass properties has not been studied. Biomass size reduction, filament extrusion, and 3D-printing methods were investigated to determine the conditions that resulted in consistent printing. Using 20% ball-milled poplar reinforcement in PLA, 210 °C filament extrusion temperature and 230 °C printing temperature were found to be the best conditions. Subsequently, seventy poplar samples from a common garden were used to test the tensile properties of the printed materials. The median tensile strength at yield was 50 MPa, with 5–95 percentiles ranged in 37–54 MPa. Strain% at break had a median value of 2.1%, and 5–95 percentiles were 1.7–2.7%. The median Young's modulus was 3.65 GPa, and 5–95 percentiles ranged in 2.9–4.1 GPa. Biomass density was correlated to composite density. Median particle size of ball-milled poplar was negatively correlated with tensile strength. Composite density affected tensile strength of the composite. β-glycosidic bond of polysaccharides in biomass affected Young's modulus of the composite. Overall, these data show that genotypic variation among Populus trichocarpa have substantial effect on tensile properties of 3D printed PLA-poplar materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Design of Critical Experiments Involving Graphite elements at the IPEN/MB-01 Plate-Type Core

A series of critical experiments were designed involving the use of characterized graphite elements in the new plate-type core of the IPEN/MB-01 reactor. Eleven configurations with different graphite quantities are considered, each producing distinct effects on neutron fluxes and offering opportunities to analyze varying sensitivities to k eff in the system. The analysis shows that the experiments can be performed with acceptably low k eff uncertainties considering an adequate characterization of the graphite elements to be used. The sensitivity results obtained using SCALE TSUNAMI calculations show that the experiments have a notable k eff sensitivity coefficient to graphite. In the configurations tested, the k eff sensitivity to graphite TSL is low. This experiment will be useful for criticality safety validation of applications using uranium fuel enriched to around 19.75 wt % 235 U, light water and graphite. It will also be useful to gain more insight into graphite material properties and their effect on k eff as a result of using the well-characterized graphite elements. The execution of the experiments is planned for the summer of 2025. The 11 designed configurations serve as a basis for the final design, and fewer configurations will be executed. Once executed, these critical experiments will be evaluated and submitted for publication in the International Criticality Safety Benchmark Evaluation Project Handbook, supporting the DOE/NRC Collaboration for Criticality Safety Support for Commercial-Scale HALEU for Fuel Cycles and Transportation project goal.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Recent progresses on thermal–hydraulics evaluations of accident tolerant fuel cladding materials

Thermal–hydraulics (T-H) experiments have been on the progress to evaluate boiling heat transfer characteristics of accident tolerant fuel (ATF) candidates for further supporting the core-loading of these advanced ATF concepts in light water reactors (LWRs). Here this study covers recent experimental studies of ATF claddings and summarizes some significant results. Recent T-H experimental results of ATF cladding candidates demonstrated that the material thermal–physical properties have pronounced effects on critical heat flux (CHF). Such effects have not been well resolved in the current physics-governing models. These effects of cladding materials on CHF could be potentially rationalized by the material-conjugated boiling heat transfer, where the material-dominated heat conduction competes with the flow boiling-dominated heat convection. As progressively increasing the mass flux and/or liquid subcooling, CHF differences between different materials gradually decrease, which is in agreement with the recent T-H experimental results of ATF claddings. This is because the dominance of heat convection over heat conduction is primarily improved by liquid subcooling and/or mass flow rate. It is noteworthy that surface oxidization of claddings may have unknown impacts on T-H performances because the formation of oxide layers on cladding surfaces introduces variations of material thermal–physical properties and then changes the surface morphological features, which results in some difficulties in evaluating the thermal safety margins of ATF claddings.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cost-Effective Thermomechanical Processing of Nanostructured Ferritic Alloys: Microstructure and Mechanical Properties Investigation

Nanostructured ferritic alloys (NFAs), such as oxide-dispersion strengthened (ODS) alloys, play a vital role in advanced fission and fusion reactors, offering superior properties when incorporating nanoparticles under irradiation. Despite their importance, the high cost of mass-producing NFAs through mechanical milling presents a challenge. This study delves into the microstructure-mechanical property correlations of three NFAs produced using a novel, cost-effective approach combining severe plastic deformation (SPD) with the continuous thermomechanical processing (CTMP) method. Analysis using scanning electron microscopy (SEM)-electron backscatter diffraction (EBSD) revealed nano-grain structures and phases, while scanning transmission electron microscopy (STEM)-energy dispersive X-ray spectroscopy (EDS) quantified the size and density of Ti-N, Y-O, and Cr-O fine particles. Atom probe tomography (APT) further confirmed the absence of finer Y-O particles and characterized the chemical composition of the particles, suggesting possible nitride dispersion strengthening. Correlation of microstructure and mechanical testing results revealed that CTMP alloys, despite having lower nanoparticle densities, exhibit strength and ductility comparable to mechanically milled ODS alloys, likely due to their fine grain structure. However, higher nanoparticle densities may be necessary to prevent cavity swelling under high-temperature irradiation and helium gas production. Further enhancements in uniform nanoparticle distribution and increased sink strength are recommended to mitigate cavity swelling, advancing their suitability for nuclear applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ferromagnetic Interlayer Exchange Coupling in a Few Layers of CrSBr on a Gold Thin Film

Abstract The two-dimensional character of van der Waals magnets allows for efficient control of their properties via proximity effects and electrical stimuli, making them promising candidates for application in spin electronics. We use spin-polarized low-energy electron microscopy to directly image the magnetic texture of thin CrSBr on top of a Au film, discovering a ferromagnetic ground state. We argue that the stabilization of the ferromagnetic ordering─as compared to the conventional antiferromagnetic one─is obtained via electron transfer from the Au film to the CrSBr flakes, in agreement with ab initio density functional theory calculations. Reflected-electron spectroscopy shows clear differences in the unoccupied density of states between a few layers of CrSBr on Au and bulk CrSBr, pointing toward electronic band structure modification in thin CrSBr. This work sheds light on the possibility of tuning the magnetic properties of two-dimensional magnets via substrate engineering.

Bosma, Rixt [University of Groningen , , ,]↗
DOE OSTI2026

Microstructure of amide-functionalized polyethylenes determined by NMR relaxometry

Amidation of polyethylenes creates a range of amide-containing materials with enhanced properties, but the effect of these functional groups on the microstructure of these new materials is not known. Here we employ solid-state nuclear magnetic resonance (NMR) techniques to analyze the microstructure of amide-modified polyethylenes. While a decrease in crystallinity was observed with increasing amounts of functionalization, we found by measuring the chain mobility of the crystalline, amorphous, and interphasial regions of the polyethylenes with NMR relaxation techniques that the grafted amidyl groups partition into the rigid amorphous fraction (RAF) between the crystalline and amorphous regions. The chemical specificity of these NMR experiments creates precise assessments of the location of functional groups within the materials. Together, these insights into the microstructure and morphology of amide-containing polyethylenes lay a foundation for a deeper understanding of the structure and properties of functional polyolefins.

Haber, Shira [Lawrence Berkeley National Laborator↗
DOE OSTI2021

Ultra-high-dose-rate FLASH and Conventional-Dose-Rate Irradiation Differentially Affect Human Acute Lymphoblastic Leukemia and Normal Hematopoiesis

Ultra-high-dose-rate FLASH radiation therapy has been shown to minimize side effects of irradiation in various organs while keeping antitumor efficacy. This property, called the FLASH effect, has caused enthusiasm in the radiation oncology community because it opens opportunities for safe dose escalation and improved radiation therapy outcome. Here, we investigated the impact of ultra-high-dose-rate FLASH versus conventional-dose-rate (CONV) total body irradiation (TBI) on humanized models of T-cell acute lymphoblastic leukemia (T-ALL) and normal human hematopoiesis.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

High-strength, lightweight nano-architected silica

Continuous nanolattices are an emerging class of mechanical metamaterials that are highly attractive due to their superior strength-to-weight ratios, which originate from their spatial architectures and nanoscale-sized elements possessing near-theoretical strength. Rational design of frameworks remains challenging below 50 nm because of limited methods to arrange small elements into complex architectures. Here, we fabricate silica frameworks with ~4- to 20-nm-thick elements using self-assembly and silica templating of DNA origami nanolattices and perform in situ micro-compression testing to examine the mechanical properties. We observe strong effects of lattice dimensions on yield strength (σ $\mathcal{y}$ ) and failure mode. Silica nanolattices are found to exhibit yield strengths higher than those of any known engineering materials with similar mass density. The robust coordination of the nanothin and strong silica elements leads to the combination of lightweight and high-strength framework materials offering an effective strategy for the fabrication of nanoarchitected materials with superior mechanical properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics

Large-scale atomistic models for complex polycyclic aromatic hydrocarbon systems help understand the chemical properties and behaviors of complex feedstocks such as coal or petroleum. However, the development and utilization of large-scale models remain limited due to the difficulty in achieving the varied structural characteristics necessary to capture stochastic nature of these feedstocks. Here we demonstrate a systematic workflow to construct stochastic molecular systems from a broad analytical suite: high-resolution transmission electron microscopy (HRTEM), carbon-13 nuclear magnetic resonance spectroscopy ( 13 C NMR), laser desorption ionization mass spectroscopy (LDI-MS), and elemental analysis. We present a model construction and analysis utility of a new Python-based module. We selected one subbituminous and three high-volatile bituminous coals to construct large-scale models (~40,000 atoms). The constructed models were utilized to examine the affinity for solvent extraction (naphthalene or tetralin) and the effect of structural properties (e.g., aromatic cluster size, functional groups, and cross-linking) in reactive molecular dynamics simulations. Complex chemical reactions were monitored with bond order transitions, intermediates formation, and mass distributions. Reactive molecular dynamics simulations suggest a plausible chemical extraction process and products for the complex fossil feedstocks. The results indicated that radical formations with bond breaking of bridging oxygens and carbons were required at high temperatures to facilitate hydrogeneration and extraction of gas molecules from radical-free molecules. We observed that aliphatic chains of tetralin were easily decomposed and combined with radicals to form small size of molecules with aryl bonding, mainly increasing molecules in the 500–1000 Da, while naphthalene had little impact on chemical extraction process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Modeling and characterizing the elastodynamic response of octet-truss lattice structures using resonance techniques

Characterization of additively manufactured materials and structures is an ongoing effort for the advanced manufacturing community. This article will investigate an approach using resonant spectral ultrasound (RUS) to measure the effective elastic constants of an Octet Truss lattice and apply the results to continuum bases models representing the lattice regions in different structures. The study is focused on simple lattices structures fabricated from Ti5553 using a laser powder bed fusion process (LBPF). Solid and lattice samples are measured to determine RUS estimates for the elastic properties of the bulk material and the effective elastic properties of the lattice structure. The estimated elastic properties are then incorporated into 3d finite element models using a continuum approximation of the physical AM parts. Comparisons show good agreement between the experimentally measured eigen frequencies of the Ti5553 LBPF parts and the eigen frequencies calculated using the continuum approximations based on the effective RUS elastic properties. The current results suggest there is additional physics and geometrical effects that are accounted for in the RUS continuum approximation of the lattice that are not captured in the full 3d finite element model of the parts utilizing only the base material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interfacial-Strain-Controlled Ferroelectricity in Self-Assembled BiFeO 3 Nanostructures

Self-assembled BiFeO 3 -CoFe 2 O 4 (BFO-CFO) vertically aligned nanocomposites are promising for logic, memory, and multiferroic applications, primarily due to the tunability enabled by strain engineering at the prodigious epitaxial vertical interfaces. However, local investigations directly revealing functional properties in the vicinity of such critical interfaces are often hampered by the size, geometry, microstructure, and concomitant experimental artifacts. Ferroelectric switching in the presence of lateral distributions of vertical strain thus remains relatively unexplored, with broader implications for all strain-engineered functional devices. Additionally, by implementing tomographic atomic force microscopy, 3D domain orientation mapping, and spatially-resolved ferroelectric switching movies, local tensile strain significantly impacts the ferroelectric switching, principally by retarding domain nucleation in the BFO nearest to the vertically epitaxial tensile-strained interfaces. The relaxed centers of the BFO pillars become preferred domain nucleation and growth sites for low biases, with up to an order of magnitude change in the edge:center switching ratio for high biases. The new, multi-dimensional imaging approach—and its corresponding insights especially for directly strained interface effects on local properties—thereby advances the fundamental understanding of polarization switching and provides design principles for optimizing functional response in confined nanoferroic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cloud Properties and Boundary Layer Stability Above Southern Ocean Sea Ice and Coastal Antarctica

Significant variability in climate predictions originates from the simulated cloud cover over the Southern Ocean. Historically, Southern Ocean cloud and aerosol properties have been less studied than their northern hemisphere counterparts, and cloud-sea-ice interactions over the Southern Ocean also remain largely unexamined. We used data from combined radar, lidar, radiometer, radiosonde, and ERA5 reanalysis profiles to investigate cloud property relationships to cloud temperature, sea-ice concentration, and boundary layer stability. Our findings show correlations between both cloud macrophysical properties and radiative effects and sea-ice concentration, and that the marine atmospheric boundary layer is more stable over higher sea-ice concentrations. Mixed-phase cloud frequency of occurrence was highest over the sea-ice zone at 15%, three times higher than over cold water south of the Antarctic Polar Front. For temperatures greater than –15°C, low-level, single-layer clouds were more likely to precipitate ice if they were coupled to cold-water or sea-ice surfaces than if they were decoupled from these surfaces, with the highest percentage of clouds precipitating ice observed over sea ice. These findings suggest a surface source of ice-nucleating particles at high southern latitudes that increases cloud glaciation probability. We discuss the implications of our results for future studies into the relationship between cloud properties, aerosols, sea ice, and boundary layer stability at high latitudes over the Southern Ocean.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Design new epoxy nanocomposite coatings based on metal vanadium oxy-phosphate M 0.5 VOPO 4 for anti-corrosion applications

Epoxy nanocomposite coatings are an essential way to protect petroleum storage tanks from corrosion. For this purpose, the new nanocomposite epoxy coatings (P-M/epoxy composites) have been successfully designed. The P-M/epoxy composites are based on the metal vanadium oxy-phosphate M 0.5 VOPO 4 (where M = Mg, Ni, and Zn). The function of P-M/epoxy composites as anti-corrosion coatings was explored using electrochemical and mechanical tests. Using electrochemical impedance spectroscopy (EIS), it has been noticed that the pore resistance and polarization resistance of the P-M/epoxy composites remain higher as compared to the neat epoxy. The P-M/epoxy composites have the greatest impact on the cathodic dis-bonded area and water absorption. Besides, P-M/epoxy composites exhibit a very high order of mechanical properties. Further, Mg 0.5 VOPO 4 has the greatest effect on the anti-corrosion properties of epoxy coating followed by Zn 0.5 VOPO 4 and Ni 0.5 VOPO 4 . All these properties lead to developing effective anti-corrosion coatings. Thus, the net result from this research work is highly promising and provides a potential for future works on the anti-corrosion coating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗