Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “NaN”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Unveiling the Structural Origins of Dynamic Diversity in Pd-Based Metallic Glasses

The β -relaxation is one of the major dynamic behaviors in metallic glasses (MGs) and exhibits diverse features. Despite decades of efforts, the understanding of its structural origin and contribution to the overall dynamics of MG systems is still unclear. Here two palladium-based Pd—Cu—P and Pd—Ni—P MGs are reported with distinct different β -relaxation behaviors and reveal the structural origins for the difference using the advanced X-ray photon correlation spectroscopy and absorption fine structure techniques together with the first-principles calculations. The pronounced β -relaxation and fast atomic dynamics in the Pd—Cu—P MG mainly come from the strong mobility of Cu atoms and their locally favored structures. In contrast, the motion of Ni atoms is constrained by P atoms in the Pd—Ni—P MG, leading to the weakened β -relaxation peak and sluggish dynamics. Finally, the correlation of atomic dynamics with microscopic structures provides a way to understand the structural origins of different dynamic behaviors as well as the nature of aging in disordered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

NASICON Li 1.2 Mg 0.1 Zr 1.9 (PO 4 ) 3 Solid Electrolyte for an All‐Solid‐State Li‐Metal Battery

Abstract A thin solid electrolyte with a high Li + conductivity is used to separate the metallic lithium anode and the cathode in an all‐solid‐state Li‐metal battery. However, most solid Li‐ion electrolytes have a small electrochemical stability window, large interfacial resistance, and cannot block lithium‐dendrite growth when lithium is plated on charging of the cell. Mg 2+ stabilizes a rhombohedral NASICON‐structured solid electrolyte of the formula Li 1.2 Mg 0.1 Zr 1.9 (PO 4 ) 3 (LMZP). This solid electrolyte has Li‐ion conductivity two orders of magnitude higher at 25 °C than that of the triclinic LiZr 2 (PO 4 ) 3 . 7 Li and 6 Li NMR confirm the Li‐ions in two different crystallographic sites of the NASICON framework with 85% of the Li‐ions having a relatively higher mobility than the other 15%. The anode–electrolyte interface is further investigated with symmetric Li/LMZP/Li cell testing, while the cathode–electrolyte interface is explored with an all‐solid‐state Li/LMZP/LiFePO 4 cell. The enhanced performance of these cells enabled by the Li 1.2 Mg 0.1 Zr 1.9 (PO 4 ) 3 solid electrolyte is stable upon repeated charge/discharge cycling.

Zhou, Qiongyu↗
DOE OSTI2026

HRTEM Imaging and Mechanistic Insights Into Carbon Nanotube Nucleation and Growth on Fe Nanocatalysts in a Thermal Plasma

Thermal plasma decomposition of natural gas is a scalable pathway for the production of hydrogen alongside high-value carbon nanotubes (CNTs). Metals evaporate from an electrode and condense to form seed nanoparticles that nucleate and grow CNTs. However, the lack of mechanistic understanding of the CNT nucleation and growth processes in thermal plasma makes control over CNT diameter, chirality, length, and yield difficult. We debundled and separated CNTs from soots produced using iron (Fe) nanocatalysts, and distributed them on monolayer graphene for high-resolution transmission electron microscopy (HRTEM) imaging to gain mechanistic insights. Full graphene encapsulation was found for relatively small Fe nanoparticles that were molten at high temperatures. Zigzag single-wall or double-wall CNTs (SWCNTs or DWCNTs) appeared to have grown out directly from the graphene covering on the conical or cylindrical bodies of small molten Fe nanodroplets with high curvature. Also, SWCNTs likely grew out from H- or O-atom etched single-wall carbon nanocones observed on conical Fe nanoparticles. A SWCNT/DWCNT could also be generated from the cracked opening of the graphene covering on a face-centered cubic (FCC) Fe nanoparticle. A simple, plausible pathway is proposed for the growth of an open, H-passivated, zigzag SWCNT involving reaction of CH 2 and CH radicals at high temperatures.

Fe nanocatalysts↗
DOE OSTI2020

Fibers add flavor. Part II. 5d SCFTs, gauge theories, and dualities

In [1, 2] we proposed an approach based on graphs to characterize 5d superconformal field theories (SCFTs), which arise as compactifications of 6d $$ \mathcal{N} $$ N = (1 , 0) SCFTs. The graphs, so-called combined fiber diagrams (CFDs), are derived using the realization of 5d SCFTs via M-theory on a non-compact Calabi-Yau threefold with a canonical singularity. In this paper we complement this geometric approach by connecting the CFD of an SCFT to its weakly coupled gauge theory or quiver descriptions and demonstrate that the CFD as recovered from the gauge theory approach is consistent with that as determined by geometry. To each quiver description we also associate a graph, and the embedding of this graph into the CFD that is associated to an SCFT provides a systematic way to enumerate all possible consistent weakly coupled gauge theory descriptions of this SCFT. Furthermore, different embeddings of gauge theory graphs into a fixed CFD can give rise to new UV-dualities for which we provide evidence through an analysis of the prepotential, and which, for some examples, we substantiate by constructing the M-theory geometry in which the dual quiver descriptions are manifest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Statistics of base polytopes in F-theory

We propose a new statistical ensemble of toric bases for elliptic Calabi-Yaus used in F-theory models, by focusing on only the convex hull of the base, i.e., the base polytope. This physically motivated coarse-graining greatly simplifies the combinatorial complexity of the part of the 4d F-theory landscape with toric bases. We develop a Monte Carlo approach that randomly samples the base polytopes within fixed boxes, with proper statistical weights. We first apply the algorithm to the set of 2d base polytopes, generating an enlarged set of toric 2d bases that include certain types of codimension-two (4,6) points, and we validate our approach against exact numbers. We then explore the set of 3d base polytopes which fit in a set of “maximal” 3d boxes, and estimate the total number of inequivalent 3d base polytopes to be 10 85 –10 90 . We provide statistical data such as the distribution of non-Higgsable gauge groups on these bases. Amusingly, a similar method can also be applied to generate reflexive polytopes in various dimensions. In both the reflexive and base polytope cases, the number of relevant polytopes obeys a Gaussian distribution as a function of the number of vertices, which can be understood in terms of other results on random polytopes in the math literature.

Differential and algebraic geometry↗
DOE OSTI2024

Evaluating the mutagenicity of N-nitrosodimethylamine in 2D and 3D HepaRG cell cultures using error-corrected next generation sequencing

Human liver-derived metabolically competent HepaRG cells have been successfully employed in both two-dimensional (2D) and 3D spheroid formats for performing the comet assay and micronucleus (MN) assay. In the present study, we have investigated expanding the genotoxicity endpoints evaluated in HepaRG cells by detecting mutagenesis using two error-corrected next generation sequencing (ecNGS) technologies, Duplex Sequencing (DS) and High-Fidelity (HiFi) Sequencing. Both HepaRG 2D cells and 3D spheroids were exposed for 72 h to N-nitrosodimethylamine (NDMA), followed by an additional incubation for the fixation of induced mutations. NDMA-induced DNA damage, chromosomal damage, and mutagenesis were determined using the comet assay, MN assay, and ecNGS, respectively. The 72-h treatment with NDMA resulted in concentration-dependent increases in cytotoxicity, DNA damage, MN formation, and mutation frequency in both 2D and 3D cultures, with greater responses observed in the 3D spheroids compared to 2D cells. The mutational spectrum analysis showed that NDMA induced predominantly A:T → G:C transitions, along with a lower frequency of G:C → A:T transitions, and exhibited a different trinucleotide signature relative to the negative control. These results demonstrate that the HepaRG 2D cells and 3D spheroid models can be used for mutagenesis assessment using both DS and HiFi Sequencing, with the caveat that severe cytotoxic concentrations should be avoided when conducting DS. With further validation, the HepaRG 2D/3D system may become a powerful human-based metabolically competent platform for genotoxicity testing.

3D spheroids↗
DOE OSTI2023

Evaluating skill in predicting the Interdecadal Pacific Oscillation in initialized decadal climate prediction hindcasts in E3SMv1 and CESM1 using two different initialization methods and a small set of start years

Abstract It is a daunting challenge to conduct initialized hindcasts with enough ensemble members and associated start years to form a drifted climatology from which to compute the anomalies necessary to quantify the skill of the hindcasts when compared to observations. This limits the ability to experiment with case studies and other applications where only a few initial years are needed. Here we run a set of hindcasts with CESM1 and E3SMv1 using two different initialization methods for a limited set of start years and use the respective uninitialized free-running historical simulations to form the model climatologies. Since the drifts from the observed initial states in the hindcasts toward the uninitialized model state are large and rapid, after a few years the drifted initialized models approach the uninitialized model climatological errors. Therefore, hindcasts from the limited start years can use the uninitialized climatology to represent the drifted model states after about lead year 3, providing a means to compute forecast anomalies in the absence of a large hindcast sample. There is comparable skill for predicting spatial patterns of multi-year Pacific sea surface temperature anomalies in the domain of the Interdecadal Pacific Oscillation using this method compared to the conventional methodology with a large hindcast data set, though there is a model dependence to the drifts in the two initialization methods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Fast oxygen redox enabled by flexible Al–O bonds in P2-type layered oxides for sodium batteries

Sodium-ion batteries (SIBs) exhibit significant potential for large-scale energy storage systems due to the abundance and low cost of sodium resources. Triggering lattice oxygen redox (LOR) in P2-type transition metal oxides is considered a promising approach to enhance energy density in SIB cathodes, providing high operating potential and substantial capacity. However, irreversible phase transitions associated with LOR, particularly from prisms (P-type stacking) to octahedrons (O-type stacking), lead to severe structural distortions and sluggish Na + diffusion kinetics. In this work, an Al-substitution strategy is proposed to suppress the formation of O-type stacking and instead promote the formation of a beneficial Z phase. Furthermore, the flexible Al-O bonds accommodate asymmetric variations in their occupied states during the sodiation process, mitigating local structural distortions through Al-O bond contraction. Stabilization of the local structure ensures the maintenance of a robust Na + diffusion pathway. As a result, the Al-substituted cathode achieves a low Na + diffusion barrier of 0.47 eV and delivers a capacity of 86 mAh/g even at a high current density of 1 A/g within 1.5–4.5 V, maintaining 62.5% capacity retention over 100 cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Coupling of Adhesion and Anti-Freezing Properties in Hydrogel Electrolytes for Low-Temperature Aqueous-Based Hybrid Capacitors

Solid-state zinc-ion capacitors are emerging as promising candidates for large-scale energy storage owing to improved safety, mechanical and thermal stability and easy-to-direct stacking. Hydrogel electrolytes are appealing solid-state electrolytes because of eco-friendliness, high conductivity and intrinsic flexibility. However, the electrolyte/electrode interfacial contact and anti-freezing properties of current hydrogel electrolytes are still challenging for practical applications of zinc-ion capacitors. Here, we report a class of hydrogel electrolytes that couple high interfacial adhesion and anti-freezing performance. The synergy of tough hydrogel matrix and chemical anchorage enables a well-adhered interface between hydrogel electrolyte and electrode. Meanwhile, the cooperative solvation of ZnCl 2 and LiCl hybrid salts renders the hydrogel electrolyte high ionic conductivity and mechanical elasticity simultaneously at low temperatures. More significantly, the Zn||carbon nanotubes hybrid capacitor based on this hydrogel electrolyte exhibits low-temperature capacitive performance, delivering high-energy density of 39 Wh kg –1 at –60 °C with capacity retention of 98.7% over 10,000 cycles. With the benefits of the well-adhered electrolyte/electrode interface and the anti-freezing hydrogel electrolyte, the Zn/Li hybrid capacitor is able to accommodate dynamic deformations and function well under 1000 tension cycles even at –60 °C. This work provides a powerful strategy for enabling stable operation of low-temperature zinc-ion capacitors.

25 ENERGY STORAGE↗
DOE OSTI2024

Properties of the QCD matter: review of selected results from the relativistic heavy ion collider beam energy scan (RHIC BES) program

In the paper, we discuss the development of the multigap resistive plate chamber time-of-flight (TOF) technology and the production of the solenoidal tracker at RHIC (STAR) TOF detector in China at the beginning of the twenty-first century. Subsequently, recent experimental results from the first beam energy scan program (BES-I) at the Relativistic Heavy Ion Collider (RHIC) pertaining to measurements of collectivity, chirality, criticality, global polarization, strangeness, heavy flavor, dilepton and light nuclei productions are reviewed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

In Situ Micro-Pillar Compression to Examine Radiation-Induced Hardening Mechanisms of FeCrAl Alloys

Here, the effects of 5 MeV Fe 2+ ion irradiation at 300°C on the microstructure evolution and deformation behavior of a FeCrAl C26M alloy are presented. It has been found that dislocation loop density increases an order of magnitude from 1 dpa to 16 dpa irradiations, whereas, the dislocation loop size saturates with increasing damage. Micropillars, 600 nm in diameter and 1.3 µm in height, were fabricated and compressed inside grains with <001>, <011> and <111> crystallographic orientations, respectively. {112} <111> has been identified as the primary slip system in both unirradiated and irradiated alloy. The increase in yield stress after irradiation is observed with measurable variation along <001> and <011> vs. along <111>. By applying the Orowan dispersed barrier model, the increase of yield stress is found mainly due to the slip resistance of radiation generated defect loops. Detailed transmission electron microscopy (TEM) studies were performed to quantify the Burgers vector and the distribution of irradiation induced dislocations at elevated strains. It is revealed that localized shear instability is caused by avalanche slip events of ½<111> dislocations gliding out of tested pillars. Simultaneously, a large number of sessile/immobile <100> dislocations formed in the vicinity of slip band, leading to the hardening at elevated strains.

36 MATERIALS SCIENCE↗