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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Prediction of the influence of strain magnitude and strain path on the resulting microstructure and post-forming mechanical behavior of RA containing high formability steels

In third generation advanced high strength steels (AHSS) there is considerable potential to alter the transformation characteristics through variation of process parameters and through changes in chemical composition. This proposal aims to utilize this known phenomenon to develop microstructure-based transformation models to predict austenite stability as a function of chemical composition, strain level, deformation mode. The ultimate intent is to predict microstructure and performance during room temperature forming to produce automotive structural components with superior strength and failure resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural and photoelectrochemical properties in the thin film system Cu–Fe–V–O and its ternary subsystems Fe–V–O and Cu–V–O

Thin-film material libraries in the ternary and quaternary metal oxide systems Fe–V–O, Cu–V–O, and Cu–Fe–V–O were synthesized using combinatorial reactive co-sputtering with subsequent annealing in air. Their compositional, structural, and functional properties were assessed using high-throughput characterization methods. Prior to the investigation of the quaternary system Cu–Fe–V–O, the compositions (Fe 61 V 39 )O x and (Cu 52 V 48 )O x with promising photoactivity were identified from their ternary subsystems Fe–V–O and Cu–V–O, respectively. Two Cu–Fe–V–O material libraries with (Cu 29-72 Fe 4-27 V 22-57 )O x and (Cu 11-55 Fe 27-73 V 12-34 )O x composition spread were investigated. Seven mixed ternary and quaternary phase regions were identified: I (α-Cu 3 FeV 6 O 26 /FeVO 4 ), II (Cu 5 V 2 O 10 /FeVO 4 /α-Cu 3 Fe 4 V 6 O 26 ), III (Cu 5 V 2 O 10 ), IV (Cu 5 V 2 O 10 /FeVO 4 , V (FeVO 4 /γ-Cu 2 V 2 O 7 /α-Cu 3 Fe 4 V 6 O 26 ), VI (β-Cu 2 V 2 O 7 /α-Cu 3 Fe 4 V 6 O 26 /FeVO 4 ), and VII (β-Cu 3 Fe 4 V 6 O 26 /FeVO 4 ). Furthermore, in the investigated composition range, two photoactive regions, (Cu 53 Fe 7 V 40 )O x and (Cu 45 Fe 21 V 34 )O x , were identified, exhibiting 103 μ A/cm 2 and 108 μ A/cm 2 photocurrent density for the oxygen evolution reaction at 1.63 V vs reversible hydrogen electrode, respectively. The highest photoactive region (Cu 45 Fe 21 V 34 )O x comprises the dominant α-Cu 3 Fe 4 V 6 O 24 phase and minor FeVO 4 phase. This photoactive region corresponds to having an indirect bandgap of 1.87 eV and a direct bandgap of 2.58 eV with an incident photon-to-current efficiency of 30% at a wavelength of 310 nm.

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

Functional variability in specific root respiration translates to autotrophic differences in soil respiration in a temperate deciduous forest

CO 2 release from forest soils (R s ) is a prominent flux in the global carbon cycle. Rs is derived from roots (autotrophic respiration, R a ) and microbial (heterotrophic) respiration and is highly dynamic, as it depends on edaphic and environmental conditions as well as root functional traits and microbial community composition. It is unclear how root functional traits affect root and microbial respiration rates; however, their consideration may help parse out the relative contributions of root and microbial respiration to R s . At a temperate forest site, root systems of 3–4 functional root orders and their surrounding surface soil were carefully excavated and placed into custom trays designed to repeatedly measure R s in situ on eight temperate tree species that varied in their root functional strategies and mycorrhizal affinity. R s was measured bi-weekly to monthly for nearly one year using a custom chamber attached to a gas exchange system. R s varied over time, ranging from 0.3 to 12 µmol m -2 s -1 . Comparable root systems of the same species were excised from the soil and specific root respiration rates (R r ) were measured. Rr ranged from 2.5 to 9.0 nmol g -1 s -1 and was negatively correlated with root tissue density and positively related to root tissue nitrogen concentration. Using R r to estimate R a , we estimate that R a accounts for <10%, on average 2–3%, of R s for individual root systems (averaging 1.2 g dry biomass) housed in surrounding soil (average 1.3 kg dry mass) in situ; thus, Ra was roughly 20 times greater than Rh per unit mass. The contribution of R a peaked in the fall and coincided with leaf senescence of the forest canopy. A soil-sterilizing experimental treatment designed to help isolate R a in situ reduced bacterial biomass and shifted fungal community composition, but there was no reduction in Rs of the in-situ root-soil tray systems. The relative R a to R s ratio increased with root functional strategies characterized by greater specific root length and tip abundance, but also to greater root tissue density. The ratio of R a to R s also increased with warmer soil temperatures and decreased slightly with increasing soil moisture. We discuss how incorporating root functional traits as modulators of the autotrophic contribution to R s could be considered when modeling total soil CO 2 efflux from forests.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Composition Driven, Statistical Review of Cast Stone Screening Matrix Results

Recent studies in support of Cast Stone development for the Hanford Site were designed to screen the effects of mix components on properties and performance of the waste form. Dry blend components, including portland cement, blast furnace slag, and Class F fly ash, sourced from both southeastern and northwestern suppliers, were included in the screening matrix. Multiple decontaminated salt solutions (simulated) were combined with the dry blend components at various liquid to solid ratios following a statistically designed matrix of compositions. Properties of the resulting mixes and performance of the cured materials were then measured and related to the dry blend components and salt solutions that were used for each mix. At the conclusion of the screening matrix work, SRNL felt that additional insight into the study might be obtained by relating the properties and performance of the materials to the composition of each Cast Stone mix, as opposed to just the dry blend – salt solution combination. This memorandum provides the results of a statistically driven review of the screening matrix data as a function of the composition of each mix. It is meant to augment the results obtained by reviewing the screening matrix data as a function of the dry blend and salt solution combination.

Edwards, T. B.↗
DOE OSTI2019

Atmo-ecometabolomics: A novel atmospheric particle chemical characterization methodology for ecological research

Aerosol particles play important roles in processes controlling the composition of the atmosphere and function of ecosystems. A better understanding of the composition of aerosol particles is beginning to be recognized as critical for ecological research to further comprehend the link between aerosols and ecosystems. While chemical characterization of aerosols has been practiced in the atmospheric science community, detailed methodology tailored to the needs of ecological research does not exist yet. In this study, we describe an efficient methodology (atmo-ecometabolomics), in step-by-step details, from the sampling to the data analyses, to characterize the chemical composition of aerosol particles, namely atmo-metabolome. This method employs mass spectrometry platforms such as liquid and gas chromatography mass spectrometries (MS) and Fourier transform ion cyclotron resonance MS (FT-ICR-MS). For methodology evaluation, we analyzed aerosol particles collected during two different seasons (spring and summer) in a low-biologicalactivity ecosystem. Additionally, to further validate our methodology, we analyzed aerosol particles collected in a more biologically active ecosystem during the pollination peaks of three different representative tree species. Our statistical results showed that our sampling and extraction methods are suitable for characterizing the atmo-ecometabolomes in these two distinct ecosystems with any of the analytical platforms. Datasets obtained from each mass spectrometry instrument showed overall significant differences of the atmo-ecometabolomes between spring and summer as well as between the three pollination peak periods. Furthermore, we have identified several metabolites that can be attributed to pollen and other plant-related aerosol particles.We additionally provide a basic guide of the potential use ecometabolomic techniques on different mass spectrometry platforms to accurately analyze the atmoecometabolomes for ecological studies. Our method represents an advanced novel approach for future studies in the impact of aerosol particle chemical compositions on ecosystem structure and function and biogeochemistry.

Rivas-Ubach, Albert (ORCID:0000000312937127)↗
DOE OSTI2020

Discerning the thermodynamic feasibility of the spontaneous coexistence of multiple functional vegetation groups

Can the Second Law of Thermodynamics explain why ecosystems naturally organize into a complex structure composed of multiple vegetation species and functional groups? Ecosystem structure, which refers to the number and type of plant functional groups, is the result of self-organization, or the spontaneous emergence of order from random fluctuations. By considering ecosystems as open thermodynamic systems, we model and study these fluctuations of throughput signatures on short timescales to determine the drivers and characteristics of ecosystem structure. This diagnostic approach allows us to use fluxes of energy and entropy to calculate an ecosystem’s estimated work and understand the thermodynamic behavior of the system. We use a multi-layer canopy-root-soil model to calculate the energy and entropy fluxes of different scenarios for field sites across various climates. At each site, scenarios comprised of native individual plant functional groups and a coexisting multi-group composition scenario including all functional groups observed at the site are compared. Ecosystem-scale calculations demonstrate that entropy fluxes and work efficiency—the work performed for the amount of radiation entering the ecosystem—are greatest in the multi-group scenario when its leaf area is significantly larger than each of its individual functional groups. Thus, we conclude that ecosystems self-organize towards the vegetation structure with the greatest outgoing entropy flux and work efficiency, resulting in the coexistence of multiple functional groups and performing the maximum amount of work within the constraints of locally available energy, water, and nutrients.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Phosphate glass matrix composites incorporating trisilanol phenyl polyhedral oligomeric silsesquioxane prepared by viscous flow sintering method with enhanced benefits

The effect of mixing and sintering processes to prepare tin fluorophosphate glass (Pglass) matrix composites incorporating trisilanol phenyl polyhedral oligomeric silsesquioxane (TSP-POSS) was investigated by comparing manual and suspension mixing, one-step and stepwise sintering processes to explore the structure dynamics and physical properties in the composites as a function of the different process conditions used. Energy Dispersive X-ray analysis confirmed optimal homogeneous dispersion of the TSP-POSS molecules in the composites prepared by the suspension method. The observed increase of glass transition temperature and the reduction of non-bridging bonds in the composites are believed to be the reason for the effective dispersion of TSP-POSS molecules in the composites. The chemical reaction between the TSP-POSS and Pglass was strongly influenced by the mixing/dispersion and sintering processes investigated. 13 C cross polarized magic angle spinning (CP MAS) solid state nuclear magnetic resonance (NMR) spectroscopy confirmed the chemical stability of the TSP-POSS during the sintering process at elevated temperatures. In addition, a chemical reaction between the TSP-POSS and Pglass was evidenced by 29 Si CP MAS NMR analysis. Here, this study will provide a better fundamental understanding of the effective dispersion mechanism of the TSP-POSS molecules in the Pglass matrix that will facilitate tailoring the physicochemical properties of the composites with addition of various small concentrations of TSP-POSS for a number of applications where the pure Pglass is not applicable due to the intrinsic properties of the Pglass.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Oxidation controlled phase composition of FeCo(Zr) nanoparticles in CaF{sub 2} matrix

Results of the study of oxidised (FeCoZr){sub x}(CaF{sub 2}){sub 100−x} films in a wide composition range (30 ≤ x ≤ 74 at.%) sintered at oxygen pressures P{sub O} = 4.3 and 9.8 mPa with X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray absorption spectroscopy (XAS), {sup 57}Fe Mössbauer spectroscopy (MS), and vibrating sample magnetometry (VSM) are reported. A “crystalline metallic core–amorphous oxide shell” structure of nanoparticles (NPs) in films oxidised at lower P{sub O} = 4.3 mPa is observed in TEM images. A combined use of XRD, MS and XAS techniques provides identification of NP phase composition evidencing α-FeCo(Zr) core of the variable content depending on x and a complex oxide shell including amorphous α-Fe{sup 3+}{sub 2}O{sub 3} together with Co{sup 2+}{sub 1−y}Fe{sup 2+}{sub y}O at low x (30–36 at.%). Full oxidation of NPs at higher P{sub O} = 9.8 mPa is indicated by TEM, XRD, MS and XAS patterns evidencing the formation of “crystalline Co{sup 2+}{sub 1−y}Fe{sup 2+}{sub y}O core–amorphous α-Fe{sup 3+}{sub 2}O{sub 3} shell” structure. Progressive oxidation of NPs with decreasing x at P{sub O} = 4.3 mPa as well as with P{sub O} increase is followed by variation of average centre shifts < δ > obtained from deconvoluted {sup 57}Fe Mössbauer spectra. Magnetometry measurements of films sintered at P{sub O} = 4.3 mPa reveal an effect of exchange bias confirming “ferromagnetic metallic core–antiferromagnetic oxide shell” structure of NPs. The results show that phase composition of oxide shells is governed both by concentration of oxygen available during synthesis and on the x. Schemes of progressive NP oxidation with identified phase composition as a function of P{sub O} and x values are proposed. - Highlights: • A selective oxidation of Fe in Fe–Co nanoparticles, NPs, is revealed. • Oxidation controlled composition of Fe–Co NPs in CaF{sub 2} matrix is determined. • “Metallic core–amorphous oxide shell”-like NPs are obtained at low oxygen pressure. • “Crystalline core–amorphous shell” oxide structures appear at high oxygen pressure. • A scheme of phase occurrence and structure of nanoparticles is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Spallation-altered Accreted Compositions for X-Ray Bursts: Impact on Ignition Conditions and Burst Ashes

Model predictions of X-ray burst ashes and light curves depend on the composition of the material accreted from the companion star, in particular the abundance of CNO elements. It has previously been pointed out that spallation in the atmosphere of the accreting neutron star can destroy heavy elements efficiently. In this work we study this spallation using a realistic reaction network that follows the complete spallation cascade and takes into account not only destruction, but also production of elements by the spallation of heavier species. We find an increased survival probability of heavier elements compared to previous studies, resulting in significantly higher CNO abundances.We provide resulting compositions as a function of accretion rate, and explore their impact on 1D multi-zone X-ray burst models. Finally, we find significant changes in the composition of the burst ashes, which will affect the thermal and compositional structure of accreted neutron star crusts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Carbon dioxide adsorption on micro-mesoporous composite materials of ZSM-12/MCM-48 type: The role of the contents of zeolite and functionalized amine

Highlights: • Synthesis of the micro-mesoporous composite materials of ZSM-12/MCM-48 type. • Application of these adsorbents in the carbon dioxide adsorption. • Effects of the contents of zeolite and amino group in the material surface on the CO{sub 2} capture efficiency. - Abstract: In this study ZSM-12/MCM-48 adsorbents have been synthesized at three ZSM-12 content, and also were functionalizated with amine groups by grafting. All the adsorbents synthesized were evaluated for CO{sub 2} capture. The X-ray diffraction analysis of the ZSM-12/MCM-48 composite showed the main characteristic peaks of ZSM-12 and MCM-48, and after the functionalization, the structure of MCM-48 on the composite impregnated was affected due amine presence. For the composites without amine, the ZSM-12 content was the factor determining in the adsorption capacity of CO{sub 2} and for the composites with amine the amount of amine was that influenced in the adsorption capacity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Controlled High Filler Loading of Functionalized Al{sub 2}O{sub 3}-Filled Epoxy Composites for LED Thermal Management

Thermal management in light-emitting diode (LED) has been extensively researched recently. This study is intended to develop an effective thermally conductive epoxy composite as thermal interface material (TIM) for headlamp LEDs. Silane-functionalized aluminum oxide (Al{sub 2}O{sub 3}) powder of different average particle sizes (44 and 10 µm) was studied for its feasibility as filler at its maximum loading. A detailed comparison of three different methods of particle dispersions, hand-mix, speed-mix and calendaring process (3-roll mill), has been reported. The dispersion of Al{sub 2}O{sub 3} particles, the thermal conductivity and thermal degradation characteristics of the composites were investigated and explained in detail. At 75 wt.% filler loading, 10 and 44 µm Al{sub 2}O{sub 3} achieved composite thermal conductivities of 1.13 and 2.08 W/mK, respectively, which is approximately 528 and 1055% of enhancement with respect to neat epoxy. The package-level thermal performance of the LED employing the Al{sub 2}O{sub 3}-filled TIMs was carried out using thermal transient analysis. The experimental junction-to-ambient thermal resistances (R{sub thJ-A}) achieved were 6.65, 7.24, and 8.63 K/W for Al{sub 2}O{sub 3-44µm}, Al{sub 2}O{sub 3-10µm} and neat epoxy, respectively. The results revealed that the Al{sub 2}O{sub 3-44µm} fillers-filled composite performed better in both material-level and package-level thermal characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Atomic layer deposition of Cd x Zn 1-x S films

Deposition of Cdsub>x Zn 1-x S has been demonstrated with atomic layer deposition (ALD) using diethylzinc (DEZn), dimethylcadmium (DMCd), and hydrogen sulfide as the precursors, and DFT calculations were performed to simulate the ALD process and the properties of the deposited films. The relative ratio of the pulses is varied for DMCd and DEZn to achieve different compositions over the spectrum from pure CdS to pure ZnS. Overall, the cadmium content in the films is higher than would be expected both as a function of pulse ratio and of temperature based on the growth rates of the binary films. At 150 °C pure ZnS shows almost pure cubic nature; however, the wurtzite content increases with the presence of cadmium until the film is approximately 10% wurtzite for pure CdS. Transmission electron microscopy (TEM) with high resolution confirms the coexistence of zincblende and wurtzite within grains due to the presence of stacking faults. The roughness of the films is a function of the composition, and the band gap and index of refraction can be finely tuned with composition.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

Tribological Properties and Self-Repairing Functionality of Ti6Al4V-Multilayer Graphene-Ag Composites

Ti6Al4V alloy has broad application prospects in the aircraft industry. However, when it is served as frictional motion components, the poor friction and wear properties may greatly influence the reliability and working life of the entire mechanical system. Therefore, this paper mainly investigates the tribological performance and self-repairing functionality of Ti6Al4V-multilayer graphene (MLG)-Ag composites (TMAC) from 25 to 600 °C. The results show that TMAC obtains better tribological behavior in comparison with Ti6Al4V alloy (TC4), Ti6Al4V-MLG composites (TMC) and Ti6Al4V-Ag composites (TAC). It should be ascribed to the synergistic action of the reinforcement MLG and lubricant Ag, which are crushed and spread out by mechanical and thermal stress in the friction process, leading to the formation of a lubricating film on the wear scar. Along with the spreading of lubricating film, Ag and MLG can precipitate onto the microdefective areas, thus playing an important role in repairing the wear scar of TMAC.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High Char Yield and Flowable Preceramic Resin Enabled with the Monomer Functionalized SiC Particle

Ceramic matrix composites (CMCs) are used in diverse high temperature applications; however, manufacturing CMCs is highly time consuming and costly. We address this challenge by introducing a methodology for fabricating CMCs using an innovative composite preceramic resin. This composite resin contains 40% mass loading of SiC particles, which are chemically functionalized with a resin monomer. The functionalization facilitates a homogenous dispersion of SiC particles within the resin matrix, resulting in high char yield (83.6%) and enhanced impregnation efficiency through reduced melt viscosity, ~10 Pa.s for relevant shear rates. This breakthrough represents a significant stride towards developing a more economically viable and efficient manufacturing process for CMCs.

14 SOLAR ENERGY↗
DOE OSTI2018

Boson–fermion duality in a gravitational background

We study the 2+1 dimensional boson–fermion duality in the presence of background curvature and electromagnetic fields. The main players are, on the one hand, a massive complex |&straightphi;|{sup 4} scalar field coupled to a U(1) Maxwell–Chern–Simons gauge field at level 1, representing a relativistic composite boson with one unit of attached flux, and on the other hand, a massive Dirac fermion. We show that, in a curved background and at the level of the partition function, the relativistic composite boson, in the infinite coupling limit, is dual to a short-range interacting Dirac fermion. The coupling to the gravitational spin connection arises naturally from the spin factors of the Wilson loop in the Chern–Simons theory. A non-minimal coupling to the scalar curvature is included on the bosonic side in order to obtain agreement between partition functions. Although an explicit Lagrangian expression for the fermionic interactions is not obtained, their short-range nature constrains them to be irrelevant, which protects the duality in its strong interpretation as an exact mapping at the IR fixed point between a Wilson–Fisher–Chern–Simons complex scalar and a free Dirac fermion. We also show that, even away from the IR, keeping the |&straightphi;|{sup 4} term is of key importance as it provides the short-range bosonic interactions necessary to prevent intersections of worldlines in the path integral, thus forbidding unknotting of knots and ensuring preservation of the worldline topologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Approach to using 3D laser-induced breakdown spectroscopy (LIBS) data to explore the interaction of FLiNaK and FLiBe molten salts with nuclear-grade graphite

Nuclear graphite has historically been a key component of many nuclear reactor designs and has emerged as key to numerous advanced nuclear reactor design concepts. Molten salt reactors (MSRs) are one broad group of advanced reactor designs currently being pursued by industry for commercialization. Several MSR designs under consideration use graphitic materials that directly interface with a molten salt, whether it is a fuel salt, coolant salt, or both. Therefore, the interaction of graphite materials with molten salts must be understood. To gain this required understanding, a range of data is needed including porosity, strength, and composition as a function of different salt exposure parameters. In this study, a laser-induced breakdown spectroscopy (LIBS) measurement and data analysis methodology was developed to obtain spatially resolved elemental composition information for graphite samples exposed to a molten fluoride salt. Traditional univariate emission line analysis of atomic, ionic, and molecular optical emission signals was coupled via correlation analysis with spectral decomposition of the data using principal component analysis. Elemental depth profiling and elemental mapping were also performed to visualize salt–graphite interactions. LIBS was demonstrated to be useful for measuring key analytes such as fluorine and hydrogen, which are troublesome for other analysis techniques. Evidence for complex behavior was found, thereby demonstrating the usefulness of the developed approach for future systematic studies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗