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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Co-dependent microstructural evolution pathways in metastable d-ferrite in cast austenitic stainless steels during thermal aging

Cast austenitic stainless steels (CASS) are excellent alloys because they combine high corrosion resistance with high strength and toughness. However, they are susceptible to embrittlement upon long-term thermal aging at elevated temperatures. Thus, the microstructural evolution pathways during thermal aging need to be understood to predict and potentially prevent embrittlement. Atom probe tomography was used to identify and quantify the microstructural evolution pathways of the d-ferrite in different CASS alloys aged for up to 10,000 hours at temperatures between 290 °C and 400 °C. The four steels – CF8, CF8M, CF3, and CF3M – which vary by Mo and C concentration, each experienced spinodal decomposition of the d-ferrite, and precipitation of G-phase clusters and Cu clusters attached to the G-phase. There were large differences in the extent of these features due to their Mo and C concentration. Using radial distribution function analysis, the interactions of constituent elements was found to determine the evolution of these features, with Mo and C specifically influencing the movement of Cr, Ni, Si, Mn, and Cu atoms due to their relative miscibility with these elements. The results will help inform predictive models for the use of duplex stainless steels for extended operation at high temperatures.

Duplex stainless steel, Aging, Spinodal decomposit↗
DOE OSTI2019

The Structure Evolution Mechanism of Ni Films Depending on Hydrogen Evolution Property During Electrodeposition Process

Hydrogen evolution property is an important factor to regulate the surface structure of the electrodeposited Ni film. In this work, the dependence of current density on hydrogen evolution property is researched. The structure evolution mechanism of the Ni film depending on current density is analyzed in terms of the hydrogen evolution characteristic. It is found that the surface structure of the Ni film from compact to porous structure could be achieved by adjusting the electrodeposition current density. At low current density (less than 0.07 A cm{sup −2}), the current efficient of hydrogen evolution is very weak. Ni electrodeposition is the main reaction, so compact Ni film is formed. At high current density (higher than 0.3 A cm{sup −2}), hydrogen evolution reaction is enhanced with the increase of current density. At this time, there are plenty of bubbles which can act as templates. As a result, porous Ni film is electrodeposited. However, when the current density is lower than 0.7 A cm{sup −2}, dish-like pore with large diameter is formed due to the large break-off diameter and the long resident time of the hydrogen bubble. And honeycomb-like pore with small diameter is formed at current density larger than 1 A cm{sup −2}, because of reduced break-off diameter and resident time of the hydrogen bubble. Porous film with uniform structure is electrodeposited at 1 A cm{sup −2}, which possesses the higher catalytic activity for hydrogen evolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The Evolution of Volatile Memory Forensics

The collection and analysis of volatile memory is a vibrant area of research in the cybersecurity community. The ever-evolving and growing threat landscape is trending towards fileless malware, which avoids traditional detection but can be found by examining a system’s random access memory (RAM). Additionally, volatile memory analysis offers great insight into other malicious vectors. It contains fragments of encrypted files’ contents, as well as lists of running processes, imported modules, and network connections, all of which are difficult or impossible to extract from the file system. For these compelling reasons, recent research efforts have focused on the collection of memory snapshots and methods to analyze them for the presence of malware. However, to the best of our knowledge, no current reviews or surveys exist that systematize the research on both memory acquisition and analysis. We fill that gap with this novel survey by exploring the state-of-the-art tools and techniques for volatile memory acquisition and analysis for malware identification. For memory acquisition methods, we explore the trade-offs many techniques make between snapshot quality, performance overhead, and security. For memory analysis, we examined the traditional forensic methods used, including signature-based methods, dynamic methods performed in a sandbox environment, as well as machine learning-based approaches. We summarize the currently available tools, and suggest areas for more research.

Nyholm, Hannah↗
DOE OSTI2020

Expansion dynamics and chemistry evolution in ultrafast laser filament produced plasmas

Laser ablation in conjunction with optical emission spectroscopy is a potential non-contact, standoff detection method for all elements in the periodic table and certain isotopes such as radionuclides. Currently, significant development efforts are on-going to use ultrafast laser filaments for remote sensing. The application of filaments is of particular interest in extending the range of stand-off capability associated with elemental and isotopic detection via laser-induced breakdown spectroscopy. In this study, we characterize the expansion dynamics and chemical evolution of filament-produced uranium (U) plasmas. Laser filaments are generated in the laboratory by loosely focusing 35 femtosecond (fs), 6 milli Joule (mJ) pulses in air. Two-dimensional spectrally-integrated and time-resolved imaging was performed to study hydrodynamics and evolution of U atomic and UO molecular emission in filament-produced U plasmas. Our results highlight that filament ablation of U plasmas gives a cylindrical plasma plume morphology with an appearance of plume splitting into slow and fast moving components at later times of its evolution. Emission from the slow-moving region shows no distinct spectral features (i.e. broadband-like) and is contributed in part by nanoparticles generated during ultrafast laser ablation. Additionally, we find U atoms and U oxide molecules (i.e. UO, UxOy) co-exist in the filament produced plasma, which can be attributed to the generation of low-temperature plasma conditions during filament ablation

(140.3440) Laser-induced breakdown, (280.5395) Pla↗
DOE OSTI2025

Engineering PHL7 for Improved Poly(Ethylene Terephthalate) Depolymerization via Rational Design and Directed Evolution

Enzymatic depolymerization of poly(ethylene terephthalate) (PET) has emerged as a promising approach for polyester recycling, and, to date, many natural and engineered PET hydrolase enzymes have been reported. For industrial use, PET hydrolases must achieve high depolymerization extent and exhibit excellent thermostability. Here, we engineered a natural PET hydrolase, Polyester Hydrolase Leipzig #7 (PHL7), through rational design and directed evolution using a high-throughput screening platform. Four new enzymes were engineered with enhanced properties compared with the parent enzyme, wild-type PHL7 (PHL7-WT), and other benchmark PET hydrolases, under the tested conditions. In bioreactors, the exemplary engineered enzyme, PHL7-Jemez, exhibited improved ability to depolymerize amorphous PET film compared with PHL7-WT at 2.9% and 20% substrate loadings, with 37% and 270% higher hydrolysis, respectively, after 48 h. This study develops several state-of-the-art PET hydrolases and demonstrates a directed evolution platform to engineer high-performance enzymes, which can accelerate enzyme discovery toward improved biocatalytic recycling.

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

In Situ ATR-FTIR Study of the Cathode–Electrolyte Interphase: Electrolyte Solution Structure, Transition Metal Redox, and Surface Layer Evolution

We present a study of the lithium nickel manganese cobalt oxide (LiNi 0.6 Mn 0.2 Co 0.2 O 2 , NMC622) cathode-electrolyte interphase (CEI) during galvanostatic charging and discharging using in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) methods to investigate the voltage dependent electrolyte solution structure changes at the interface, transition metal (TM) redox chemistry, and cathode/electrolyte interfacial layer evolution. Furthermore, our in situ cell design provides both reliable electrochemical device testing and strong FTIR vibrational absorption signals near the cathode surface. Specifically, advanced spectral analysis elucidates changes of near-surface Li+ ion (de)solvation by solvent molecules during galvanostatic cycling. Moreover, cathode metal-oxygen vibrational absorptions, sensitive to TM redox behaviors and subsequent local structural variations, were correlated to cathode de-lithiation (and lithiation) and electrolyte solution structure changes. In addition, we have detected the formation and evolution of a CEI surface layer on the NMC622 cathode that contributes to the cell's capacity fade.

25 ENERGY STORAGE↗
DOE OSTI2024

JOINT APPOINTEE: Evolution of ferroelectric properties in SmxBi1-xFeO3 via automated Piezoresponse Force Microscopy across combinatorial spread libraries

Combinatorial spread libraries offer a innovative approach to explore the evolution of material properties over broad concentration, temperature, and growth parameter spaces. However, traditional limitation of this approach is the requirement for the read-out of functional properties across the library. Here we develop automated Piezoresponse Force Microscopy (PFM) for the exploration of combinatorial spread libraries and demonstrate its application in the SmxBi1-xFeO3 system with the ferroelectric-antiferroelectric morphotropic phase boundary. This approach relies on the synergy of the quantitative nature of PFM and the implementation of automated experiments that allow PFM-based sampling over macroscopic samples. The concentration dependence of pertinent ferroelectric parameters has been determined and used to develop the mathematical framework based on Ginzburg-Landau theory describing the evolution of these properties across the concentration space. We pose that a combination of automated scanning probe microscope and combinatorial spread library approach will emerge as an efficient research paradigm to close the characterization gap in the high-throughput materials discovery. We make the data sets open to the community and hope that this will stimulate other efforts to interpret and understand the physics of these systems.

Automated Microscopy, Combinatorial Library, Ferro↗
DOE OSTI2021

Electronic structure modulation of MoS2 by substitutional Se incorporation and interfacial MoO3 hybridization: Implications of Fermi engineering for electrocatalytic hydrogen evolution and oxygen evolution

The design of earth-abundant electrocatalysts that can facilitate water splitting at low overpotentials, provide high current densities, and enable prolonged operational lifetimes is central to the production of sustainable fuels. The distinctive atomistic and electronic structure characteristics of the edges of MoS2 imbue high reactivity toward the hydrogen evolution reaction. MoS2 is nevertheless characterized by significantly high overpotentials as compared to platinum. Here, we demonstrate that modulation of the electronic structure of MoS2 through interfacial hybridization with MoO3 and alloying of selenium on the anion sublattice allows for systematic lowering of the conduction band edge and raising of the valence band edge, respectively. The former promotes enhanced electrocatalytic activity toward hydrogen evolution, whereas the latter promotes enhanced activity toward the oxygen evolution reaction. Such alloyed heterostructures prepared by sol-gel reactions and hydrothermal selenization expose a high density of edge sites. The alloyed heterostructures exhibit low overpotential, high current density, high turnover frequency, and prolonged operational lifetime. The mechanistic origins of catalytic activity have been established based on electronic structure calculations and x-ray absorption and emission spectroscopy probes of electronic structure, which suggest that interfacial hybridization at the MoO3 interface yields low-lying conduction band states that facilitate hydrogen adsorption. In contrast, shallow Se 4p-derived states give rise to a raised effective valence band maximum, which facilitates adsorption of oxygen intermediates and engenders a low overpotential for the oxygen evolution reaction. The findings illustrate the use of electronic structure modulation through interfacial hybridization and alloying to systematically improve electrocatalytic activity.

Parija, Abhishek↗
DOE OSTI2019

Short O–O separation in layered oxide Na 0.67 CoO 2 enables an ultrafast oxygen evolution reaction

The layered oxide Na 0.67 CoO 2 with Na + occupying trigonal prismatic sites between CoO 2 layers exhibits a remarkably high room temperature oxygen evolution reaction (OER) activity in alkaline solution. The high activity is attributed to an unusually short O–O separation that favors formation of peroxide ions by O - –O – interactions followed by O 2 evolution in preference to the conventional route through surface O–OH – species. The dependence of the onset potential on the pH of the alkaline solution was found to be consistent with the loss of H + ions from the surface oxygen to provide surface O - that may either be attacked by solution OH - or react with another O - ; a short O–O separation favors the latter route. The role of a strong hybridization of the O-2 p and low-spin Co III /Co IV π-bonding d states is also important; the OER on other Co III /Co IV oxides is compared with that on Na 0.67 CoO 2 as well as that on IrO 2 .

Wang, Hao↗
DOE OSTI2019

Peroxidase evolution in white-rot fungi follows wood lignin evolution in plants

Significance We analyze the evolution of ligninolytic peroxidases from wood-rotting fungi using conifer and angiosperm lignin as representatives of 2 steps of lignin evolution. By enzyme resurrection, we show that during fungal evolution, these enzymes improved their activity and switched their degradative preferences with the rise of a surface tryptophan conferring on them the ability to oxidize nonphenolic lignin. We calibrated the peroxidase phylogeny and determined that this residue appeared coincident with angiosperm diversification, characterized by the synthesis of a more complex and less phenolic lignin due to the general incorporation of a new unit in its structure. This way, we show that fungal evolution followed that of lignin synthesis, pointing to a coevolution between fungal saprotrophs and their plant hosts.

Science & Technology - Other Topics↗
DOE OSTI2019

Convergent evolution of hetero-oligomeric cellulose synthesis complexes in mosses and seed plants

In seed plants, cellulose is synthesized by rosette-shaped Cellulose Synthesis Complexes (CSCs) that are obligate hetero-oligomeric, comprising three non-interchangeable Cellulose Synthase (CESA) isoforms. The moss Physcomitrella patens has rosette CSCs and seven CESAs, but its common ancestor with seed plants had rosette CSCs and a single CESA gene. Thus, if P. patens CSCs are hetero-oligomeric, then CSCs of this type evolved convergently in mosses and seed plants. Previous gene knockout and promoter swap experiments showed that PpCESAs from class A (PpCESA3 and PpCESA8) and class B (PpCESA6 and PpCESA7) have non-redundant functions in secondary cell wall cellulose deposition in leaf midribs, whereas the two members of each class are redundant. Based on these observations, we proposed the hypothesis that the secondary class A and class B PpCESAs associate to form hetero-oligomeric CSCs. Here we show that transcription of secondary class A PpCESAs is reduced when secondary class B PpCESAs are knocked out and vice versa, as expected for genes encoding isoforms that occupy distinct positions within the same CSC. The class A and class B isoforms co-accumulate in developing gametophores and co-immunoprecipitate, suggesting that they interact to form a complex in planta. Finally, secondary PpCESAs interact with each other, whereas three of four fail to self interact when expressed in two different heterologous systems. These results are consistent with the hypothesis that obligate hetero-oligomeric CSCs evolved independently in mosses and seed plants and we propose the constructive neutral evolution hypothesis as a plausible explanation for convergent evolution of hetero-oligomeric CSCs. This article is protected by copyright. All rights reserved.

biofuels (including algae and biomass), bio-inspir↗
DOE OSTI2019

A Comprehensive Analysis of the Interphasial and Structural Evolution over Long–Term Cycling of Ultrahigh–Nickel Cathodes in Lithium–Ion Batteries

Ultrahigh-Ni layered oxides hold great promise as high-energy-density cathodes at an affordable cost for lithium-ion batteries, yet their practical application is greatly hampered by the poor cyclability. Herein, by employing LiNi 0.94 Co 0.06 O 2 as a model cathode in a full-cell configuration, the interphasial and structural evolution processes of ultrahigh-Ni layered oxides are systematically investigated over the course of their service life (1500 cycles). By applying advanced analytic techniques (e.g., Li-isotope labeling, region-of-interest method), the dynamic chemical evolution on the cathode surface is revealed with spatial resolution, and the correlation between lattice distortion and cathode surface reactivity is established. Benefiting from in situ X-ray diffraction (XRD) analysis, the ultrahigh-Ni layered oxide is demonstrated to undergo dual-phase reaction mechanisms with huge lattice variation, which leads to a decrease in crystallinity and secondary particle pulverization. Furthermore, the critical impact of cathode surface reaction on the graphite anode–electrolyte interphase (AEI) is revealed at nanometer scale, and a universal chemical/physical evolution process of the AEI is illustrated, for the first time. Finally, the practical viability of ultrahigh-Ni layered oxides is demonstrated through Al-doping strategy. Finally, this work presents a comprehensive understanding of the structural and interphasial degradation of ultrahigh-Ni layered oxide cathodes for developing high-energy-density lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Faceted NiO(111) nanosheets: morphological and catalytic evolution for the oxygen evolution reaction

The renaissance of the energy system through the use of green hydrogen by water electrolysis lies behind the development of abundant, active, and scalable catalysts for the oxygen evolution reaction (OER). A fundumental understanding of the surface properties for these materials is of vital importance in producing viable heterogenous catalysts. In this feature article, we summarize several years of collaborative work on a uniquely faceted NiO(111) nanosheet possessing hexagonal holes with a focus on understanding how the evolution of the catalyst surface and bulk composition effects OER performance. The importance of surface faceting, morphological evolution, and metal combination by different doping strategies are all analyzed and summarized to further improve the material's performance. Furthermore, microwave and supercritical synthesis processes are utilized to understand how varying wet-chemical techniques effect the formation of the NiO(111) nanosheet and activity of the material. We discuss our chosen strategies and the difficulties encountered with optimizing a catalyst surface for the OER.

08 HYDROGEN↗
DOE OSTI2019

The Evolution of SlyA/RovA Transcription Factors from Repressors to Countersilencers in Enterobacteriaceae

Gene duplication and subsequent evolutionary divergence have allowed conserved proteins to develop unique roles. The MarR family of transcription factors (TFs) has undergone extensive duplication and diversification in bacteria, where they act as environmentally responsive repressors of genes encoding efflux pumps that confer resistance to xenobiotics, including many antimicrobial agents. We have performed structural, functional, and genetic analyses of representative members of the SlyA/RovA lineage of MarR TFs, which retain some ancestral functions, including repression of their own expression and that of divergently transcribed multidrug efflux pumps, as well as allosteric inhibition by aromatic carboxylate compounds. However, SlyA and RovA have acquired the ability to countersilence horizontally acquired genes, which has greatly facilitated the evolution of Enterobacteriaceae by horizontal gene transfer. SlyA/RovA TFs in different species have independently evolved novel regulatory circuits to provide the enhanced levels of expression required for their new role. Moreover, in contrast to MarR, SlyA is not responsive to copper. These observations demonstrate the ability of TFs to acquire new functions as a result of evolutionary divergence of both cis -regulatory sequences and in trans interactions with modulatory ligands. IMPORTANCE Bacteria primarily evolve via horizontal gene transfer, acquiring new traits such as virulence and antibiotic resistance in single transfer events. However, newly acquired genes must be integrated into existing regulatory networks to allow appropriate expression in new hosts. This is accommodated in part by the opposing mechanisms of xenogeneic silencing and countersilencing. An understanding of these mechanisms is necessary to understand the relationship between gene regulation and bacterial evolution. Here we examine the functional evolution of an important lineage of countersilencers belonging to the ancient MarR family of classical transcriptional repressors. We show that although members of the SlyA lineage retain some ancestral features associated with the MarR family, their cis -regulatory sequences have evolved significantly to support their new function. Understanding the mechanistic requirements for countersilencing is critical to understanding the pathoadaptation of emerging pathogens and also has practical applications in synthetic biology.

Microbiology↗