SEARCH · Engineering Papers

Results for “universe”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 757 records · Page 42

All sources NASA NTRS DOE OSTI

DOE OSTI2021

The TAMUTRAP facility: A Penning trap facility at Texas A&M University for weak interaction studies

The Texas A&M University Penning Trap (TAMUTRAP) facility aims to test the standard model of the electroweak interaction by measuring the β-ν correlation parameter, a βν , for β-delayed proton emitters in the atomic mass range 20 < A < 40. Precision measurements of this correlation parameter and, inextricably, the Fierz interference parameter, are a sensitive probe of physics beyond the standard model. Here, using off-line ion sources, the TAMUTRAP facility has been commissioned by demonstrating the ability to manipulate the trapped-ion motions as well as to perform precision mass measurements. Our novel cylindrical Penning trap – the world's largest – differs from typical designs in two key aspects: the electrode structure has an 180-mm inner diameter and an overall length of 334.89 mm leading to a uniquely small length/radius ratio l/r = 3.72; and we do not use the long end cap approximation, instead our short endcap electrodes are closed and capable of being placed at an arbitrary potential. This geometry is optimized for observing β-delayed proton decays, but is also well suited for other in-trap and post-trap precision decay experiments. In addition to presenting an overview of the TAMUTRAP facility, we demonstrate that our unique Penning trap is able to measure masses with a precision similar to typical trap designs.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Weldability of irradiated Stainless Steel 304 materials harvested from the National Research Universal (NRU) reactor

In this work, the weldability of the neutron-irradiated Stainless Steel 304 (SS 304) materials containing estimated helium levels of 12 to 44 appm has been studied through a Collaborative Research and Development Agreement between the Canadian Nuclear Laboratories and Oak Ridge National Laboratory. The work utilizes a SS 304 component harvested from the National Research Universal reactor. Laser beam welding was used to explore suitable welding conditions and associated parameters, to determine helium concentration limits for successful welding of irradiated stainless-steels. The experimental results show that maximum fusion zone void sizes, fusion zone void quantity and total heat affected zone helium-induced crack length generally increased with increasing He levels and effective weld heat input. A proper combination of welding parameters with low effective heat input, such as, laser power, weld travel speed and wire feed speed, were shown to improve the welding quality, and potentially reduce the length and probability of the formation of grain boundary helium-induced cracking and voids of irradiated SS 304 even with He concentrations as high as about 44 appm.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A universal method to fabricating porous carbon for Li-O 2 battery

The main bottleneck in the application of biomass-based carbon material in energy field is the development of an economical, nanoscale controllable and universal fabrication method. Herein, we demonstrate that a biomass-derived carbon consisting of loose carbon nanosphere clusters could serve as an ideal cathode material for high performance Li-O 2 batteries. The carbon nanomaterial can be prepared from both biomass derivatives and crude biomass by a low cost, facile and nanoscale controllable method. The open slit-shaped hierarchical pore structure endows the electrode sufficient active surface sites and mass transport channels that are not easily asphyxiated by the discharge products. The concentration of oxygenic groups and structure defects on the surface of obtained carbon materials is very low, which minimizes the side reactions associated with carbon decomposition. Finally, the unique pore structure and surface properties of the carbon electrode give rise to a superhigh specific capacity of 20,300 mA h g -1 and an extremely long cycle life which a cyclic capacity retention of 100% is maintained for 543 cycles with current density of 0.2 mA cm -2 at controlled discharge-charge depths of 500 mA h g -1 .

25 ENERGY STORAGE↗

DOE OSTI2021

A universal etching method for synthesizing high-performance single crystal cathode materials

LiNi x MnyCo 1-x-y O 2 (NMC) is considered the most appealing cathode material due to its high energy density and low cost. However, the stability and safety concerns, caused by the degradation of polycrystalline cathode materials during cycling, have restricted their practical applications. To overcome this shortcoming, converting polycrystalline cathode to high-performance single-crystal cathode materials becomes an appealing solution. In this work, a universal etching approach is firstly developed to synthesize single-crystal cathode materials. The rate performance of the obtained single-crystal NMC111 is 10–15% more than that of polycrystalline NMC111 whereas the capacity retention of single-crystal NMC111 is enhanced by ~12% after 300 cycles at 0.5C. The obtained single-crystal NMC622 exhibits a pronounced improvement in rate performance, especially at high rates (~28.6% better at 5C and ~129% better at 10C) and has a comparable cycle performance compared to polycrystalline NMC622. Altogether, the findings propose an alternative approach to generate single-crystal particles with high energy density and cycle stability for the next generation lithium-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2022

Universal machine learning framework for defect predictions in zinc blende semiconductors

Our article introduces a universal predictive framework for point defect formation energies and charge transition levels in a wide chemical space of zinc blende semiconductors and possible impurity atoms selected from across the periodic table. This framework was developed by leveraging high-throughput quantum mechanical simulations benchmarked using some experimental data from the literature, as well as machine learning (ML)-based regressions techniques that map unique materials descriptors to computed defect properties and yield optimized and generalizable models. Furthermore, the power and utility of these models is revealed through quick predictions for thousands of new defects and screening of low-energy impurities, which may tune the equilibrium conductivity in the semiconductor. This work presents, to our knowledge, the largest density functional theory (DFT) dataset of defect properties in semiconductors and the largest DFT+ML-based screening of point defects in semiconductors to date.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Universality of a truncated sigma-model

Bosonic quantum field theories, even when regularized using a finite lattice, possess an infinite dimensional Hilbert space and, therefore, cannot be simulated in quantum computers with a finite number of qubits. A truncation of the Hilbert space is then needed and the physical results are obtained after a double limit: one to remove the truncation and another to remove the regulator (the continuum limit). A simpler alternative is to find a model with a finite dimensional Hilbert space belonging to the same universality class as the continuum model (a “qubitization”), so only the space continuum limit is required. A qubitization of the 1 + 1 dimensional asymptotically free O(3) nonlinear σ-model based on ideas of non-commutative geometry was previously proposed [1] and, in this paper, we provide evidence that it reproduces the physics of the σ-model both in the infrared and the ultraviolet regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Unveiling the sea: universality of the transverse momentum dependent quark distributions at small x

Within the Colour Glass Condensate effective theory, we demonstrate that back-to-back dijet correlations in dilute-dense collisions involving a small-quark from the nuclear target can be factorised in terms of universal transverse momentum dependent distributions (TMDs) for the sea quarks. Two building blocks are needed to construct all these TMDs at the operator level: the sea quark TMD operator which appears in semi-inclusive Deep-Inelastic Scattering (SIDIS) or in the Drell-Yan process and the elastic-matrix for a quark-antiquark dipole. Compared to SIDIS, the saturation effects are stronger for dijet production in forward proton-nucleus collisions, due to additional scattering in the initial and final state, effectively resulting in a larger value for the nuclear saturation momentum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Effects of gamma, electron beam, and X-ray irradiation on the plastic components of a universal bone cement mixer medical device

Due to market and regulatory pressures, many healthcare manufacturers are considering alternatives to cobalt-60 gamma radiation, including accelerator-based electron beam (E-beam) and X-ray radiation for product sterilization. In this work, the effects of irradiation on a representative medical product, comprised of eight distinct polymer materials, were directly compared for three radiation technologies – cobalt-60 gamma, E-beam, and X-ray – at four dose levels (15, 25, 50, and 70 kGy). The objective was to determine how radiation effects (deleterious or beneficial) are influenced by source and dose level, with the specific goal of determining whether E-beam radiation and/or X-ray radiation could be viable alternatives to gamma radiation for device sterilization. Here, the specific product considered is a single-use medical device for orthopedic surgery, the Stryker Instruments MixeVac III bone cement mixer, which is currently sterilized using gamma radiation from cobalt-60 sources. Following ASTM International standards and input from the manufacturer, we characterized the effects of the three radiation sources on product functionality as well as on the mechanical and optical properties of the constituent polymers. Results indicate that although measurable differences in properties between the standard gamma irradiated materials and the alternative E-beam and X-ray irradiated materials were observed, those differences were small. Statistically significant differences were noted in the case of yellowness index for polyvinyl chloride, high-density polyethylene, and polycarbonate, and in the case of tensile elongation at break for high impact polystyrene and polyvinyl chloride. In general, the results of this study support the viability of E-beam and X-ray radiation as alternative options to cobalt-60 gamma radiation for sterilization of Stryker single-use universal bone cement mixer medical devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

A Universal Machine Learning Model for Elemental Grain Boundary Energies

The grain boundary (GB) energy has a profound influence on the grain growth and properties of polycrystalline metals. Here, we show that the energy of a GB, normalized by the bulk cohesive energy, can be described purely by four geometric features. By machine learning on a large computed database of 361 small Σ (Σ<10) GBs of more than 50 metals, we develop a model that can predict the grain boundary energies to within a mean absolute error of 0.13 J m –2 . More importantly, this universal GB energy model can be extrapolated to the energies of high Σ GBs without loss in accuracy. These results highlight the importance of capturing fundamental scaling physics and domain knowledge in the design of interpretable, extrapolatable machine learning models for materials science.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A universal velocity transformation for boundary layers with pressure gradients

The logarithmic law of the wall does not capture the mean flow when a boundary layer is subjected to a strong pressure gradient. In such a boundary layer, the mean flow is affected by the spatio-temporal history of the imposed pressure gradient; and accounting for history effects remains a challenge. This work aims to develop a universal mean flow scaling for boundary layers subjected to arbitrary adverse or/and favourable pressure gradients. Here, we derive from the Navier–Stokes equation a velocity transformation that accounts for the history effects and maps the mean flow to the canonical law of the wall. The transformation is tested against channel flows with a suddenly imposed adverse or favourable pressure gradient, boundary layer flows subjected to an adverse pressure gradient, and Couette–Poiseuille flows with a streamwise pressure gradient. It is found that the transformed velocity profiles follow closely the equilibrium law of the wall.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

University of Washington Quaternary Isotope Laboratory Retrospective

We report the Quaternary Isotope Laboratory (QIL) at the University of Washington was launched in 1969 and directed by Minze Stuiver until his retirement in 1998. Here we review some of the scientific work undertaken in the QIL and the memories of some of Minze’s former students and colleagues.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

An Aromatic Universe–A Physical Chemistry Perspective

This Perspective presents recent advances in our knowledge of the fundamental elementary mechanisms involved in the low- and high-temperature molecular mass growth processes to polycyclic aromatic hydrocarbons in combustion systems and in extraterrestrial environments (hydrocarbon-rich atmospheres of planets and their moons, cold molecular clouds, circumstellar envelopes). Molecular beam studies combined with electronic structure calculations extracted five key elementary mechanisms: Hydrogen Abstraction – Acetylene Addition, Hydrogen Abstraction – Vinylacetylene Addition, Phenyl Addition – DehydroCyclization, Radical-Radical Reactions, and Methylidyne Addition – Cyclization – Aromatization. Furthermore, these studies, summarized here, provide compelling evidence that key classes of aromatic molecules can be synthesized in extreme environments covering low temperatures in molecular clouds (10 K) and hydrocarbon-rich atmospheres of planets and their moons (35–150 K) to high temperature environments like circumstellar envelopes of carbon rich Asymptotic Giant Branch Stars stars and combustion systems at temperatures above 1,400 K thus shedding light on the aromatic universe we live in.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations

Linear scaling relationships (LSRs) and Brønsted–Evans–Polanyi (BEP) or transition-state scaling (TSS) relations aid with the prediction of electronic energies. However, temperature effects and pre-exponentials are often taken as constants across metal surfaces or a homologous series. Vibrational scaling relationships (VSRs) offer a way to determine such parameters. Transition-state VSRs (TSVSRs) between local minima and transition states of AH X (A = C, N, O) surface diffusions correlate with BEP relations and broaden to thermochemical property scaling. Using density functional theory, we extend TSVSRs to AHX dehydrogenation reactions on transition-metal surfaces, relating vibrational modes of local minima to transition states. We first predict the slopes of the TSS relations by incorporating bond angles using the Slater–Koster structure factors and hybridization through crystal orbital overlap population analysis and energy overlap integrals between adsorbates and metal surfaces. Additionally, we uncover universal thermochemical property scaling, enabling the estimation of entropies and temperature corrections to enthalpies across a homologous series. Here, we demonstrate both significant vibrational corrections in reactions with low intrinsic electronic barriers and considerable variation in the pre-exponential of a simple dehydrogenation reaction across metals and AH X adsorbates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Universal Size-Dependent Stokes Shifts in Lead Halide Perovskite Nanocrystals

Size-dependent photoluminescence Stokes shifts (Δ E s ) universally exist in CsPbX 3 (X = Cl – , Br – , or I – ) perovskite nanocrystals (NCs). Δ E s values, which range from ~15 to 100 meV for NCs with average edge lengths ( l ) from approximately 13 to 3 nm, are halide-dependent such that Δ E s (CsPbI 3 ) > Δ E s (CsPbBr 3 ) ≳ Δ E s (CsPbCl 3 ). Observed size-dependent Stokes shifts are not artifacts of ensemble size distributions as demonstrated through measurements of single CsPbBr 3 NC Stokes shifts ((Δ E s ) = 42 ± 5 meV), which are in near quantitative agreement with associated ensemble ( l = 6.8 ± 0.8 nm) Δ E s values (Δ E s ≈ 50 meV). Transient differential absorption measurements additionally illustrate no significant spectral dynamics on the picosecond time scale that would contribute to Δ E s . This excludes polaron formation as being responsible for Δ E s . Overall, the results point to an origin for Δ E s , intrinsic to the size-dependent electronic properties of individual perovskite NCs.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Signatures of Non-universal Quantum Dynamics of Ultracold Chemical Reactions of Polar Alkali Dimer Molecules with Alkali Metal Atoms: Li( 2 S) + NaLi( a 3 Σ + ) → Na( 2 S) + Li 2 ( a 3 Σ u + )

Ultracold chemical reactions of weakly bound triplet-state alkali metal dimer molecules have recently attracted much experimental interest. Here we perform rigorous quantum scattering calculations with a new ab initio potential energy surface to explore the chemical reaction of spin-polarized NaLi(a 3 Σ + ) and Li( 2 S) to form Li 2 (a 3 Σ u + ) and Na( 2 S). The reaction is exothermic and proceeds readily at ultralow temperatures. Significantly, we observe strong sensitivity of the total reaction rate to small variations of the three-body part of the Li 2 Na interaction at short range, which we attribute to a relatively small number of open Li 2 (a 3 Σ u + ) product channels populated in the reaction. This provides the first signature of highly non-universal dynamics seen in rigorous quantum reactive scattering calculations of an ultracold exothermic insertion reaction involving a polar alkali dimer molecule, opening up the possibility of probing microscopic interactions in atom+molecule collision complexes via ultracold reactive scattering experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Long-Range Dispersion Governs the Behavior of Near-Critical Fluids: Universal Scaling and Implications for Accurate Molecular Simulation

Computer simulations of near-critical and supercritical fluids often deviate from experimental results, a discrepancy commonly attributed to force-field resolutions and inaccuracies. We demonstrate that these errors primarily stem from using finite cutoff schemes for dispersion interactions, which become effectively long-range as the correlation length grows near the critical point. By employing the smooth particle-mesh Ewald method to account for full long-range dispersion, we show that coarse-grained models can also achieve high quantitative accuracy for n-undecane and propylbenzene. This approach enables the precise determination of density fluctuations and correlation lengths, which exhibit universal critical scaling and depend on the molecular size and shape. Our findings resolve a longstanding debate in molecular simulations of near-critical fluids, establishing that capturing long-wavelength fluctuations is essential for bridging the gap between the microscopic behavior and macroscopic critical phenomena.

Chen, Guang↗

DOE OSTI2020

Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals

Plasmons depend strongly on dimensionality: while plasmons in three-dimensional systems start with finite energy at wavevector q = 0, plasmons in traditional two-dimensional (2D) electron gas disperse as ω p ∼ q . However, besides graphene, plasmons in real, atomically thin quasi-2D materials were heretofore not well understood. Here we show that the plasmons in real quasi-2D metals are qualitatively different, being virtually dispersionless for wavevectors of typical experimental interest. This stems from a broken continuous translational symmetry which leads to interband screening; so, dispersionless plasmons are a universal intrinsic phenomenon in quasi-2D metals. Moreover, our ab initio calculations reveal that plasmons of monolayer metallic transition metal dichalcogenides are tunable, long lived, able to sustain field intensity enhancement exceeding 10 7 , and localizable in real space (within ~20 nm) with little spreading over practical measurement time. This opens the possibility of tracking plasmon wave packets in real time for novel imaging techniques in atomically thin materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Spin-phonon relaxation from a universal ab initio density-matrix approach

Designing new quantum materials with long-lived electron spin states urgently requires a general theoretical formalism and computational technique to reliably predict intrinsic spin relaxation times. We present a new, accurate and universal first-principles methodology based on Lindbladian dynamics of density matrices to calculate spin-phonon relaxation time of solids with arbitrary spin mixing and crystal symmetry. This method describes contributions of Elliott-Yafet and D’yakonov-Perel’ mechanisms to spin relaxation for systems with and without inversion symmetry on an equal footing. We show that intrinsic spin and momentum relaxation times both decrease with increasing temperature; however, for the D’yakonov-Perel’ mechanism, spin relaxation time varies inversely with extrinsic scattering time. We predict large anisotropy of spin lifetime in transition metal dichalcogenides. The excellent agreement with experiments for a broad range of materials underscores the predictive capability of our method for properties critical to quantum information science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗