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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.

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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multiscale Understanding and Architecture Design of High Energy/Power Lithium-Ion Battery Electrodes

Among various commercially available energy storage devices, lithium-ion batteries (LIBs) stand out as the most compact and rapidly growing technology. This multicomponent system operates on coupled dynamics to reversibly store and release electricity. With the hierarchical electrode architectures inside LIBs, versatile functionality can be realized by design, while considerable difficulties remain to be solved to fully exploit the capability of each constituent. With the rapid electrification of the transportation sector and an urgent need to overhaul electric grids in the context of renewable energy penetration, demands for concomitant high energy and high power batteries are continuously increasing. Although building an ideal battery requires effort from multiple scientific and engineering aspects, it is imperative to gain insight into multiscale transport behaviors arising in both spatial and temporal dimensions, and enable their harmonic integration inside the whole battery system. In this progress report, recent research efforts on characterizing and understanding transport kinetics in LIBs are reviewed covering a broad range of electrode materials and length scales. Further, to demonstrate the crucial role of such information in revolutionary electrode design, examples of innovative high energy/power electrodes are provided with their unique hierarchical porous architectures highlighted. To conclude, perspectives on further approaches toward advanced thick electrode designs with fast kinetics and tailored properties are discussed.

25 ENERGY STORAGE↗
DOE OSTI2017

New Architectures for Designed Catalysts: Selective Oxidation using AgAu Nanoparticles on Colloid-Templated Silica

A highly modular synthesis of designed catalysts with controlled bimetallic nanoparticle size and composition and a well-defined structural hierarchy is shown. Exemplary catalysts—bimetallic dilute Ag-in-Au nanoparticles partially embedded in a porous SiO 2 matrix (SiO 2 –Ag x Au y )—were synthesized by the decoration of polymeric colloids with the bimetallic nanoparticles followed by assembly into a colloidal crystal backfilled with the matrix precursor and subsequent removal of the polymeric template. This work reports that these new catalyst architectures are significantly better than nanoporous dilute AgAu alloy catalysts (nanoporous Ag 3 Au 97 ) while retaining a clear predictive relationship between their surface reactivity with that of single-crystal Au surfaces. This paves the way for broadening the range of new catalyst architectures required for translating the designed principles developed under controlled conditions to designed catalysts under operating conditions for highly selective coupling of alcohols to form esters. Excellent catalytic performance of the porous SiO 2 –Ag x Au y structure for selective oxidation of both methanol and ethanol to produce esters with high conversion efficiency, selectivity, and stability was demonstrated, illustrating the ability to translate design principles developed for support-free materials to the colloid-templated structures. The synthetic methodology reported is customizable for the design of a wide range of robust catalytic systems inspired by design principles derived from model studies. Fine control over the composition, morphology, size, distribution, and availability of the supported nanoparticles was discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Complementing Nanoscale Galvanic Exchange with Redox Manipulation toward Architectural Control of Multimetallic Hollow Nanostructures

Galvanic exchange occurring within the confinement by nanoparticulate templates provides a unique pathway to controllably transform solid metallic nanoparticles into architecturally more sophisticated multimetallic hollow nanostructures under facile reaction conditions. As such, in this Minireview, we elaborately discuss how the nanoparticle-templated galvanic exchange can be deliberately coupled with redox manipulation to synthesize a large library of complex multimetallic hollow nanostructures exhibiting precisely tailored architectures and compositions, with a particular emphasis on important mechanistic insights concerning the dynamic interplay among multiple structure-remodeling processes that synergistically dictate the versatile nanoparticle transforming behaviors during kinetically and regioselectively modulated galvanic exchange reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Performance analysis of a 3D unstructured mesh hydrodynamics code on multi‐core and many‐core architectures

SUMMARY Several next generation high performance computing platforms are or will be based on the so‐called many‐core architectures, which represent a significant departure from commodity multi‐core architectures. A key issue in transitioning large‐scale simulation codes from multi‐core to many‐core systems is closing the serial performance gap, that is, overcoming the large difference in single‐core performance between multi‐core and many‐core systems. In this paper, we discuss how this problem was addressed for a 3D unstructured mesh hydrodynamics code, describe how Amdahl's law can be used to estimate performance targets and guide optimization efforts, and present timing studies performed on multi‐core and many‐core platforms. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

Waltz, J.↗
DOE OSTI2019

Formation of Hierarchical Architectures with Dimensional and Morphological Control in the Self‐Assembly of Conjugated Block Copolymers

Abstract Precise control of dimensionality and morphology is a crucial requirement for realizing complex and hierarchical assembled structures, which has mainly been studied in highly crystalline systems. However, such results have rarely been reported in the self‐assembly of conjugated block copolymers with relatively weak π–π interactions. Herein, the realization of unique scarf‐like self‐assembled architectures based on the conjugated block copolymers through a facile one‐step approach is reported. Dimensional and morphological control of the micelles are realized by adjusting the block ratio and the solvent polarity. Then the transformation from 1D nanorods to the final hierarchical scarf micelles is observed. Furthermore, the underlying growth mechanism is mainly attributed to the driving force of intermolecular π–π interactions between conjugated core blocks. This work provides a highly effective strategy to prepare hierarchical architectures circumventing those multistep methods used in traditional crystallization system, which could expand the morphological diversity of self‐assembly and further facilitate the exploration of its functional applications.

Wang, Meijing↗
DOE OSTI2025

Phenome‐to‐genome insights for evaluating root system architecture in field studies of maize

Abstract Understanding the genetic basis of root system architecture (RSA) in crops requires innovative approaches that enable both high‐throughput and precise phenotyping in field conditions. In this study, we evaluated multiple phenotyping and analytical frameworks for quantifying RSA in mature, field‐grown maize in three field experiments. We used forward and reverse genetic approaches to evaluate >1700 maize root crowns, including a diversity panel, a biparental mapping population, and maize mutant and wild‐type alleles at two known RSA genes,DEEPER ROOTING 1(DRO1) andRootless1(Rt1). We show the utility of increasing the dimensionality of traditional two‐dimensional (2D) techniques, referred to as the “2D multi‐view” method, to improve the capture of whole root system information for mapping genetic variation influencing RSA. Comparison of univariate and multivariate genome‐wide association study (GWAS) approaches revealed that multivariate traits were effective at dissecting complex RSA phenotypes and identifying pleiotropic quantitative trait loci (QTLs). Overall, three‐dimensional (3D) root models generated from X‐ray computed tomography and digital phenotyping captured a larger proportion of RSA trait variations compared to other methods of root phenotyping, as evidenced by both genome‐wide and single‐gene analyses. Among the individual root traits, root pulling force emerged as a highly heritable estimate of RSA that identified the largest number of shared QTLs with 3D phenotypes. Our study shows that integrating complementary phenotyping technologies helps to provide a more comprehensive understanding of the genetic architecture of RSA in field‐grown maize.

Genetics & Heredity↗
DOE OSTI2020

Genetic architecture of leaf morphological and physiological traits in a Populus deltoides ‘Danhong’ × P. simonii ‘Tongliao1’ pedigree revealed by quantitative trait locus analysis

Understanding the genetic architecture of leaf morphological and physiological traits will help plant breeders develop high biomass poplar genotypes. Quantitative trait locus (QTL) studies combining next-generation sequencing techniques can advance our understanding of the genetic basis of complex traits. In this study, we measured 13 leaf morphological and physiological traits and identified quantitative trait loci (QTLs) in a Populus deltoides ‘Danhong’ × P. simonii ‘Tongliao1’ F1 population (500 progenies) using a high-density genetic map constructed by whole genome re-sequencing. This linkage map consisted of 5796 single nucleotide polymorphism (SNP) markers assigned to 19 linkage groups (LGs), spanning 2683.80 centimorgans (cM) of genetic length, with an average marker density of 0.46 cM. We identified 109 QTLs on 18 LGs for leaf morphological traits and 55 QTLs on 14 LGs for leaf physiological traits. One-hundred eight putative candidate genes were identified within the candidate genomic region. Co-expression network and gene ontology enrichment analyses suggested that these candidate genes were involved in the photosynthetic process. The differential expression patterns of the CYCLIN (Potri.015G112200) and RED CHLOROPHYLL REDUCTASE (Potri.007G043600) genes between two parents indicated their potential roles in leaf morphological and physiological traits. These findings decipher the genetic architecture of leaf morphological and physiological traits in the P. deltoides ‘Danhong’ × P. simonii ‘Tongliao1’ pedigree and provide candidate genes for future poplar genetic improvement.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Boosting High-Rate Zinc-Storage Performance by the Rational Design of Mn 2 O 3 Nanoporous Architecture Cathode

Manganese oxides are regarded as one of the most promising cathode materials in rechargeable aqueous Zn-ion batteries (ZIBs) because of the low price and high security. However, the practical application of Mn 2 O 3 in ZIBs is still plagued by the low specific capacity and poor rate capability. Herein, highly crystalline Mn 2 O 3 materials with interconnected mesostructures and controllable pore sizes are obtained via a ligand-assisted self-assembly process and used as high-performance electrode materials for reversible aqueous ZIBs. The coordination degree between Mn 2+ and citric acid ligand plays a crucial role in the formation of the mesostructure, and the pore sizes can be easily tuned from 3.2 to 7.3 nm. Ascribed to the unique feature of nanoporous architectures, excellent zinc-storage performance can be achieved in ZIBs during charge/discharge processes. The Mn 2 O 3 electrode exhibits high reversible capacity (233 mAh g -1 at 0.3 A g -1 ), superior rate capability (162 mAh g -1 retains at 3.08 A g -1 ) and remarkable cycling durability over 3000 cycles at a high current rate of 3.08 A g -1 . Moreover, the corresponding electrode reaction mechanism is studied in depth according to a series of analytical methods. These results suggest that rational design of the nanoporous architecture for electrode materials can effectively improve the battery performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Directional Assembly of Nanoparticles by DNA Shapes: Towards Designed Architectures and Functionality

In bottom–up self-assembly, DNA nanotechnology plays a vital role in the development of novel materials and promises to revolutionize nanoscale manufacturing technologies. DNA shapes exhibit many versatile characteristics, such as their addressability and programmability, which can be used for determining the organization of nanoparticles. Furthermore, the precise design of DNA tiles and origami provides a promising technique to synthesize various complex desired architectures. These nanoparticle-based structures with targeted organizations open the possibility to specific applications in sensing, optics, catalysis, among others. In this work, we review progress in the development and design of DNA shapes for the self-assembly of nanoparticles and discuss the broad range of applications for these architectures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Effects of bridging fibers on the evolution of lamellar architecture during H 2 /H 2 O redox cycling of Fe-foams

Fe/Fe 3 O 4 redox cycling via cyclic H 2 /H 2 O exposure at 800 °C is studied in lamellar Fe foams with 15 vol% fibers, created by freeze-casting. Fibers were integrated in the foams to mitigate densification during cycling by mechanically supporting neighboring lamellae, thus preventing buckling and sintering at contact points. Three fiber types are examined: short (0.1 mm) and long (1–2 mm) stainless-steel fibers, and long zirconia fibers. Long fibers bridge lamellae and have a marked effect on the architecture by increasing the initial interlamellar porosity (from < 60 to > 85%), with a corresponding decrease in foam shrinkage during initial reduction and sintering (from > 80 to < 55% volumetric loss). Though performance improves as compared to fiber-free foams, fiber effectiveness against damage decreases with cycling: after 10 redox cycles, porosity falls from 85 to 50% for foams with long fibers. One novel degradation mechanism is identified: fiber engulfment. This mechanism occurs over successive redox cycles, as material from the lamellae cyclically engulfs (as Fe 3 O 4 ) and withdraws (as Fe) from the fibers, with a net transport from lamellae to fibers after each cycle. Finally, this cyclic coarsening mechanism alters foam architecture from bridged-lamellar (with evenly distributed porosity) to mixed lamellar/fibrous (with unevenly distributed porosity).

36 MATERIALS SCIENCE↗
DOE OSTI2017

Single-unit-cell layer established Bi 2 WO 6 3D hierarchical architectures: Efficient adsorption, photocatalysis and dye-sensitized photoelectrochemical performance

Single-layer catalysis sparks huge interests and gains widespread attention owing to its high activity. Simultaneously, three-dimensional (3D) hierarchical structure can afford large surface area and abundant reactive sites, contributing to high efficiency. Herein, we report an absorbing single-unit-cell layer established Bi2WO6 3D hierarchical architecture fabricated by a sodium dodecyl benzene sulfonate (SDBS)-assisted assembled strategy. The DBS- long chains can adsorb on the (Bi2O2)2+ layers and hence impede stacking of the layers, resulting in the single-unit-cell layer. We also uncovered that SDS with a shorter chain is less effective than SDBS. Due to the sufficient exposure of surface O atoms, single-unit-cell layer 3D Bi2WO6 shows strong selectivity for adsorption on multiform organic dyes with different charges. Remarkably, the single-unit-cell layer 3D Bi2WO6 casts profoundly enhanced photodegradation activity and especially a superior photocatalytic H2 evolution rate, which is 14-fold increase in contrast to the bulk Bi2WO6. Systematic photoelectrochemical characterizations disclose that the substantially elevated carrier density and charge separation efficiency take responsibility for the strengthened photocatalytic performance. Additionally, the possibility of single-unit-cell layer 3D Bi2WO6 as dye-sensitized solar cells (DSSC) has also been attempted and it was manifested to be a promising dye-sensitized photoanode for oxygen evolution reaction (ORR). Our work not only furnish an insight into designing single-layer assembled 3D hierarchical architecture, but also offer a multi-functional material for environmental and energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Carbon aerogels with integrated engineered macroporous architectures for improved mass transport

Carbon aerogels (CAs) combine unique properties including ultra-high surface area, high electrical conductivity, corrosion resistance, and robust mechanical properties making them ideal materials for electrochemical applications. Traditional CA synthesis results in isotropic, random nanoporous networks that work well for applications relying on diffusional mass transport. However, many applications would benefit from integration of engineered macroporous network structures that enable directed pressure-gradient-driven mass transport. In this study, we report on using 3D-printed sacrificial polymeric templates to generate templated CAs (t-CAs) with integrated engineered nonrandom macroporous network structures. Specifically, we used projection micro-stereo-lithography (PμSL) and two-photon polymerization direct laser writing (2PP-DLW) to fabricate millimeter-to-centimeter-sized 3D sacrificial polymeric templates with features ranging from tens of microns (PμSL) to 100s of nanometers (2PP-DLW). T-CAs were fabricated by infiltrating the templates with resorcinol-formaldehyde (RF) precursor solution, followed by carbonization at 1050 °C to simultaneously convert the RF gel to a CA and decompose the 3D-printed template, leaving an embedded templated macroporous network structure behind. X-ray computer tomography confirms integration of the macroporous architecture defined by the template. The templated macroporous architecture improves mass transport in t-CAs compared to traditional bulk CA as demonstrated by more uniform activation and their response in electrochemical cyclic voltammetry and galvanostatic charge-discharge tests.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Binder-free thin graphite fiber mat sandwich electrode architectures for energy-efficient vanadium redox flow batteries

Vanadium redox flow batteries (VRFB) are emerging as the preferred energy storage solution for long-duration energy storage (LDES) and grid-scale load levelling. In this study, we report a novel binder-free sandwich electrode architecture consisting of a thin layer (6–12 mg cm –2 ) of thermally activated graphite felt mat (TGFM) sandwiched between thin carbon papers (TCP-TGFM-TCP). This electrode architecture substantially reduced the polarization (I-V) resistance of the VRFB by 23 %, resulting in a current density increase from 340 mA cm –2 at 1 V for the thermally activated graphite felt (TGF) electrode to 470 mA cm –2 at 1 V, and an energy efficiency of 80 % at 100 mA cm –2 is realized.

25 ENERGY STORAGE↗
DOE OSTI2023

Combining direct ink writing with reactive melt infiltration to create architectured thermoelectric legs

Here, we present a new additive-reactive synthesis method where inks – cast into molds or 3D-additively extruded into architectured shapes – are reacted into intermetallic thermoelectric compounds. The new method, as demonstrated for equiatomic TiNiSn, combines: (i) extrusion printing (or casting) of inks containing Ni and Ti powders, (ii) debinding and reactive sintering to form a porous NiTi network, (iii) network infiltration with liquid Sn and subsequent reaction to synthesize the TiNiSn phase. Thin plates, created through this method, show high phase purity and low residual porosity. A thermoelectric figure of merit zT = 0.47 ± 0.05 is achieved at 800 K, within the broad range of values (zT= 0.3–1.0) reported for TiNiSn created via traditional powder hot-pressing methods. Layered TiNiSn microlattices – after 3D ink-extrusion printing and infiltration – exhibit high relative densities and minimal undesirable secondary phase content, with a Seebeck coefficient on par with the ink-cast TiNiSn plates, demonstrating that thermoelectric legs with far-ranging architectural freedom can be created additively with this novel reactive manufacturing method. Numerous other thermoelectric (and other) compounds, currently limited to basic geometries due to brittleness, are amenable to this new method based on a sequence of reactive sintering/infiltration of cast or ink-extruded precursors.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Architectural Stabilization of a Gold(III) Catalyst in Metal-Organic Frameworks

Unimolecular decomposition pathways are challenging to address in transition-metal catalysis and have previously not been suppressed via incorporation into a solid support. Two robust metal-organic frameworks (IRMOF-10 and bio-MOF-100) are used for the architectural stabilization of a structurally well-defined gold(III) catalyst. The inherent rigidity of these materials is utilized to preclude a unimolecular decomposition pathway—reductive elimination. Through this architectural stabilization strategy, decomposition of the incorporated gold(III) catalyst in the metal-organic frameworks is not observed; in contrast, the homogeneous analog is prone to decomposition in solution. Finally, stabilization of the catalyst in these metal-organic frameworks precludes leaching and enables recyclability, which is crucial for productive heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

RNA-Seq-based high-resolution linkage map reveals the genetic architecture of fruiting body development in shiitake mushroom, Lentinula edodes

Fruiting body development (FBD) of mushroom-forming fungi has attracted tremendous interest. However, the genetic and molecular basis of FBD is poorly known. Here, using Lentinula edodes (shiitake) as a model, we deciphered the genetic architecture underlying fruiting body-related traits (FBRTs) by combined genomic, genetic and phenotypic data. Using RNA-Seq of fruiting bodies from 110 dikaryons in a bi-parental mapping population, we constructed an ultra-high-density genetic map of L. edodes (Lemap2.0) with a total length of 810.14 cM, which covered 81.7% of the shiitake genome. A total of 94 scaffolds of the shiitake genome were aligned to Lemap2.0 and re-anchored into nine pseudochromosomes. Then via quantitative trait locus (QTL) analysis, we disclosed an outline of the genetic architecture of FBD in shiitake. Twenty-nine QTLs and three main genomic regions associated with FBD of shiitake were identified. Using meta-QTL analysis, seven pleiotropic QTLs for multiple traits were detected, which contributed to the correlations of FBRTs. In the mapped QTLs, the expression of 246 genes were found to significantly correlate with the phenotypic traits. Thirty-three of them were involved in FBD and could represent candidate genes controlling the shape and size of fruiting bodies. Collectively, our findings have advanced our understanding of the genetic regulation of FBD in shiitake and mushroom-forming fungi at large.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Experimental validation of a co-simulation architecture for modeling whole-building and detailed electrical distribution performance

This article presents an experimental validation of a co-simulation architecture for simultaneously modeling whole-building energy performance and detailed building electrical distribution system performance. The co-simulation architecture consists of a whole-building energy model (EnergyPlus®) embedded within a Modelica-based building electrical distribution system library called the Building Electrical Efficiency Analysis Model (BEEAM) using the Functional Mock-up Interface standard. We validate the model using experimental data collected at a full-scale test cell within Lawrence Berkeley National Laboratory’s FLEXLAB® facility. In conclusion, we show that the co-simulation model accurately predicts the electrical, mechanical, and thermal performance of the test cell for typical loads with both an AC and a DC electrical distribution topology.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Isotopic signatures as tools to reconstruct the primordial architecture of the Solar System

The significant reorganization of the early Solar System due to giant planet migration has hampered our understanding of where planetary bodies formed. Previously employed proxies for reconstructing the primordial planetary architecture, such as water content or oxidation state, are complicated by post-accretionary processes. Furthermore we investigate basaltic achondrites for their nucleosynthetic isotope signatures in the elements neodymium (Nd) and zirconium (Zr) and show that they are—similar to previously investigated chondritic meteorites—characterized by a relative deficit in isotopes produced by the s-process of nucleosynthesis. Importantly, these data are well correlated with nucleosynthetic signatures observed in other elements, demonstrating that s-process matter was heterogeneously distributed throughout the early Solar System. By comparing these isotopic signatures with potential proxies for Solar System reconstruction and computer modeling, we here argue that this isotopic heterogeneity in bulk meteoritic materials is linked to the original heliocentric distance of formation. Such scaling of nucleosynthetic signatures with heliocentric distance could permit reconstruction of the primordial architecture of the Solar System by ‘cosmolocating’ the accretion orbits of meteoritic parent bodies as a function of incorporated s-process matter.

58 GEOSCIENCES↗