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At least 1,189 records · Page 66

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DOE OSTI2025

Dissipation in open holography

We exploit the holographic realization of a conformal theory coupled to an external bath realized via a double trace deformation and its gravity dual in terms of transparent boundary conditions in order to map out some basic dissipative properties of this simple open holographic system. In particular, we determine the energy transmission coefficient across the boundary, discover a novel duality relating weak and strong coupling to the external bath, and quantify the dissipation in the system by working out the quasi normal modes.

AdS-CFT correspondence↗

DOE OSTI2020

Combined visualisation of cavitation and vortical structures in a real-size optical diesel injector

A high-speed flow visualisation set-up comprising of combined diffuse backlight illumination (DBI) and schlieren imaging has been developed to illustrate the highly transient, two-phase flow arising in a real-size optical fuel injector. The different illumination nature of the two techniques, diffuse and parallel light respectively, allows for the capturing of refractive-index gradients due to the presence of both interfaces and density gradients within the orifice. Hence, the onset of cavitation and secondary-flow motion within the sac and injector hole can be concurrently visualised. Experiments were conducted utilising a diesel injector fitted with a single-hole transparent tip (ECN spray D) at injection pressures of 700–900 bar and ambient pressures in the range of 1–20 bar. High-speed DBI images obtained at 100,000 fps revealed that the orifice, due to its tapered layout, is mildly cavitating with relatively constant cavity sheets arising mainly in regions of manufacturing imperfections. Nevertheless, schlieren images obtained at the same frame rate demonstrated that a multitude of vortices with short lifetimes arise at different scales in the sac and nozzle regions during the entire duration of the injection cycle but the vortices do not necessarily result in phase change. The magnitude and exact location of coherent vortical structures have a measurable influence on the dynamics of the spray emerging downstream the injector outlet, leading to distinct differences in the variation of its cone angle depending on the injection and ambient pressures examined.

42 ENGINEERING↗

DOE OSTI2022

3D printing of void-free glass monoliths: rheological and geometric considerations

Direct ink writing (DIW) is a versatile additive manufacturing technique capable of printing 3D architectures from a broad range of materials. The key advantage of DIW is the ability to spatially control both the architecture and the composition of the printed part, which enables the production of components with previously unachievable combinations of functionalities. One emergent application space for DIW has been in additively manufactured glass optics, where a “green body” is patterned layer-by-layer by extruding a silica-based slurry through a microfluidic nozzle and then thermally consolidated to transparent glass. A critical aspect of the process is ensuring that the printed part is completely free of voids that can occur in the interstitial spaces between the extruded filaments. This outcome is governed by the interplay between ink rheology and strains imposed by the printing process and geometric packing of the filaments. Here, we explore the strain- and rate-dependent deformation events in the DIW process to determine conditions that enable the printing of void-free monoliths without sacrificing shape fidelity. We focus on yield stress fluids consisting of fumed silica nanoparticles dispersed in organic solvents at varied volume fractions to control the rheological properties. We investigate the printability of these ink materials as a function of print process variables and devise the appropriate dimensionless parameters that capture the geometry-dependent and rate-dependent effects on the deformation of the extruded ink. Lastly, we use these scaling arguments to construct a phase diagram for void-free monolith printability.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Exploring the role of judgement and shared situation awareness when working with AI recommender systems

Abstract AI-advised Decision Making is a form of human-autonomy teaming in which an AI recommender system suggests a solution to a human operator, who is responsible for the final decision. This work seeks to examine the importance of judgement and shared situation awareness between humans and automated agents when interacting together in the form of a recommender systems. We propose manipulating both human judgement and shared situation awareness by providing the human decision maker with relevant information that the automated agent (AI), in the form of a recommender system, uses to generate possible courses of action. This paper presents the results of a two-phase between-subjects study in which participants and a recommender system jointly make a high-stakes decision. We varied the amount of relevant information the participant had, the assessment technique of the proposed solution, and the reliability of the recommender system. Findings indicate that this technique of supporting the human’s judgement and establishing a shared situation awareness is effective in (1) boosting the human decision maker’s situation awareness and task performance, (2) calibrating their trust in AI teammates, and (3) reducing overreliance on an AI partner. Additionally, participants were able to pinpoint the limitations and boundaries of the AI partner’s capabilities. They were able to discern situations where the AI’s recommendations could be trusted versus instances when they should not rely on the AI’s advice. This work proposes and validates a way to provide model-agnostic transparency into recommender systems that can support the human decision maker and lead to improved team performance.

Srivastava, Divya↗

DOE OSTI2022

Investigation of Cycle-to-Cycle Variations in Internal Combustion Engine Using Proper Orthogonal Decomposition

The understanding, modeling and control of the cycle-to-cycle variation (CCV) in the modern internal combustion engine (ICE) is a key scientific challenge to achieve stable engine operation. High CCV in the engine combustion chamber may contribute to partial burn, misfire and knock, which adversely affects the engine performance and may potentially damage the engine. The objective of the current study is to leverage high-fidelity numerical simulations to improve the understanding of the causes of CCV. Using the massively parallel code, Nek5000, multi-cycle, wall-resolved large-eddy simulations (LES) were performed for the General Motors (GM), Transparent Combustion Chamber (TCC-III) optical engine under motored operating conditions. Further, the large-scale structures of the in-cylinder flow were investigated using a triple proper orthogonal decomposition (POD) technique to explore the characteristics of different parts of the flow and their contributions to CCV. The kinetic energy of the subset of flow structures were determined and correlated between the intake and compression strokes. The insights from the analysis of the large-scale flow structures will be used to assist the development of improved engine designs with reduced CCV and enhance the engine performance.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Global biomass supply modeling for long-run management of the climate system

Bioenergy is projected to have a prominent, valuable, and maybe essential, role in climate management. However, there is significant variation in projected bioenergy deployment results, as well as concerns about the potential environmental and social implications of supplying biomass. Bioenergy deployment projections are market equilibrium solutions from integrated modeling, yet little is known about the underlying modeling of the supply of biomass as a feedstock for energy use in these modeling frameworks. We undertake a novel diagnostic analysis with ten global models to elucidate, compare, and assess how biomass is supplied within the models used to inform long-run climate management. With experiments that isolate and reveal biomass supply modeling behavior and characteristics (costs, emissions, land use, market effects), we learn about biomass supply tendencies and differences. The insights provide a new level of modeling transparency and understanding of estimated global biomass supplies that informs evaluation of the potential for bioenergy in managing the climate and interpretation of integrated modeling. For each model, we characterize the potential distributions of global biomass supply across regions and feedstock types for increasing levels of quantity supplied, as well as some of the potential societal externalities of supplying biomass. We also evaluate the biomass supply implications of managing these externalities. Finally, we interpret biomass market results from integrated modeling in terms of our new understanding of biomass supply. Overall, we find little consensus between models on where biomass could be cost-effectively produced and the implications. We also reveal model specific biomass supply narratives, with results providing new insights into integrated modeling bioenergy outcomes and differences. The analysis finds that many integrated models are considering and managing emissions and land use externalities of supplying biomass and estimating that environmental and societal trade-offs in the form of land emissions, land conversion, and higher agricultural prices are cost-effective, and to some degree a reality of using biomass, to address climate change.

09 BIOMASS FUELS↗

DOE OSTI2026

Ultrafast Laser Welding and Terahertz Time-domain Spectroscopy of Soda Lime Silicate Glass

Joining and welding techniques of similar and dissimilar materials have reached their limits due to the inflexibility of adapting dielectric materials, e.g., glasses and ceramics, reproducibility for transparent materials, and cycle process time. The ability to join pieces of glasses using laser irradiation allows rapid processing of vacuum insulating glass (VIG) for a widening range of commercial energy-efficient applications. We have used a 1064-nm laser wavelength with 15 picoseconds pulse width and a 155-kHz repetition rate to weld commercial plate glass pieces. The welded samples were characterized via x-ray fluorescence (XRF), time-of-flight secondary ion mass spectrometry (TOF–SIMS), polarimetry, and terahertz time-domain spectroscopy (THz-TDS) to determine the integrity of the weld and chemical changes in the welded areas. Our data shows no significant changes in glass chemistry and structure on average over nano- to micro-scales occurred from the welding process within the limits of the characterization tools. Our results demonstrate successful welding of glass plates without significant changes in the glass chemistry, structure, or properties in the laser-modified region or strains in the bulk glass.

Matthies, Kathleen [ORNL] (ORCID:0009000213135441)↗

DOE OSTI2020

Spectral Radiative Properties of Ceramic Particles for Concentrated Solar Thermal Energy Storage Applications

This work investigates the spectral radiative properties of ceramic particles using a monochromator and a Fourier-transform infrared spectrometer (FTIR) with integrating spheres at wavelengths from 0.38 μm to 15 μm. Particles are encased between two transparent windows to obtain the directional-hemispherical reflectance of the particle bed. Two types of commercially available particles with three different sizes are examined. Integration over the solar spectrum reveals that the solar absorptance of the particle beds is between 0.940 and 0.957. The total emittance at 1000 K is also estimated by assuming the spectral emittance is independent of temperature. The optical constants of particles are modeled with effective medium approaches, considering the optical properties of individual constituent materials. The absorptance of the particle is estimated using the effective optical constants and compared with that of the particle bed from the measurement. Finally, this work facilitates the characterization of radiative properties of particles with a windowed method and provides a modeling scheme for approximating the radiative properties of composite ceramic materials.

14 SOLAR ENERGY↗

DOE OSTI2022

Portable C++ Code that can Look and Feel Like Fortran Code with Yet Another Kernel Launcher (YAKL)

This paper introduces the Yet Another Kernel Launcher (YAKL) C++ portability library, which strives to enable user-level code with the look and feel of Fortran code. The intended audience includes both C++ developers and Fortran developers unfamiliar with C++. The C++ portability approach is briefly explained, YAKL’s main features are described, and code examples are given that demonstrate YAKL’s usage. YAKL fills a niche capability important particularly to scientific applications seeking to port Fortran code quickly to a portable C++ library. YAKL places heavy emphasis on simplicity, readability, and productivity with performance mainly emphasizing Graphics Processing Units (GPUs). Central to YAKL’s ability to allow Fortran-like user-level code are three features: (1) a multi-dimensional Array class that allows Fortran behavior; (2) a limited library of Fortran intrinsic functions; and (3) an efficient pool allocator that transparently enables cheap frequent allocations and deallocations of YAKL Arrays. While YAKL allows Fortran-style code, it also allows Arrays that exhibit C-like behavior as well, including row-major index ordering and lower bounds of “0”. YAKL currently supports CPUs, CPU threading, and Nvidia, AMD, and Intel GPUs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Properties of Poly(Vinyl Alcohol)/Chitosan Nanocomposite Films Reinforced with Oil Palm Empty Fruit Bunch Amorphous Lignocellulose Nanofibers

The objective of this study was to investigate the properties of poly(vinyl alcohol)/chitosan nanocomposite films reinforced with different concentration of amorphous LCNFs. The properties analyzed were morphological, physical, chemical, thermal, biological, and mechanical characteristics. Oil palm empty fruit bunch LCNFs obtained from multi-mechanical stages were more dominated by amorphous region than crystalline part. Varied film thickness, swelling degree, and transparency of PVA/chitosan nanocomposite films reinforced with amorphous part were produced. Aggregated LCNFs, which reinforced PVA/chitosan polymer blends, resulted in irregular, rough, and uneven external surfaces as well as protrusions. Based on XRD analysis, there were two or three imperative peaks that indicated the presence of crystalline states. The increase in LCNFs concentration above 0.5% to PVA/chitosan polymer blends led to the decrease in crystallinity index of the films. A noticeable alteration of FTIR spectra, which included wavenumber and intensity, was obviously observed along with the inclusion of amorphous LCNFs. That indicated that a good miscibility between amorphous LCNFs and PVA/chitosan polymer blend generated chemical interaction of those polymers during physical blending. Reinforcement of PVA/chitosan polymer blends with amorphous LCNFs influenced the changes of T{sub g} (glass transition temperature), T{sub m} (melting point temperature), and T{sub max} (maximum degradation temperature). Three thermal phases of PVA/chitosan/LCNFs nanocomposite films were also observed, including absorbed moisture evaporation, PVA and chitosan polymer backbone structural degradation and LCNFs pyrolysis, and by-products degradation of these polymers. The addition of LCNFs 0.5% had the highest tensile strength and the addition of LCNFs above 0.5% decreased the strength. The incorporation of OPEFB LCNFs did not show anti-microbial and anti-fungal properties of the films. The addition of amorphous LCNFs 0.5% into PVA/chitosan polymer blends resulted in regular and smooth external surfaces, enhanced tensile strength, increased crystallinity index, and enhanced thermal stability of the films.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

Photo-Stabilisation and UV Blocking Efficacy of Coated Macro and Nano-Rutile Titanium Dioxide Particles in Paints and Coatings

Surface treated macro and nanoparticle TiO{sub 2} samples have been prepared, characterised and their efficiency as UV blockers evaluated in clear coatings and paints. The particle size of the ‘base’ TiO{sub 2} has been optimised to block UV radiation and the surface treatment developed to deactivate the photocatalytic activity of the surface of the TiO{sub 2} particles. The resultant UV blockers have been evaluated in both solvent and water-based clear coatings. Nanoparticle TiO{sub 2} has been prepared from ‘seed’ and the particle size was controlled by calcination. It was found that the choice of particle size is a compromise between UVA absorption, UVB absorption, visible transmission and photoactivity. It has been demonstrated that TiO{sub 2} with a crystallite size of 25 nm yields a product with the optimum properties. A range of dispersants was successfully used to disperse and mill the TiO{sub 2}. Both organic and inorganic dispersants were used; 2-amino-2-methyl-1-propanol and 1-amino-2-propanol (MIPA) and P{sub 2}O{sub 5} and Na{sub 2}SiO{sub 3} respectively. The surface of the nano-TiO{sub 2} was coated with mixed oxides of silicon, aluminium, zirconium and phosphorous. Addition of the resultant coated nano-rutiles to an Isocyanate Acrylic clear coating prolonged the lifetime of that coating compared to the blank. Generally, a surface treatment based on SiO{sub 2}, Al{sub 2}O{sub 3} and P{sub 2}O{sub 5} was more successful than one based on ZrO{sub 2}, Al{sub 2}O{sub 3} and P{sub 2}O{sub 5}. Higher addition levels of the surface treatment were beneficial for protecting the polymeric coating. The UV blocker products were also evaluated in a water-based acrylic, first a water-based dispersion of the UV blocker was prepared before addition to the acrylic. The dispersions and resultant acrylic thin films were evaluated using UV/Vis spectroscopy and durability assessed. The ratio of absorbance at 300:500 nm for the water-based dispersion was shown to be a good predictor of both the transparency of the resultant acrylic thin film and the durability of that film, in terms of weight loss. Macro grade titanium dioxide pigments were also prepared and coated with treatments of silica, alumina and siloxane and their photo-stabilising activity in alkyd paint film assessed and found to be directly related to the electron–hole pair mobility and trapping as determined by micro-wave spectroscopy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2019

Nanocomposites Based on Poly(lactic acid) and Bacterial Cellulose Acetylated by an α-Hydroxyacid Catalyzed Route

Poly(lactic acid) (PLA) nanocomposite films reinforced with acetylated bacterial cellulose nanoribbons were prepared by solvent casting. Acetylation of bacterial cellulose (BC) was performed by an innovative and sustainable direct solvent-free route catalyzed by citric acid. The effect of derivatization and its extent on the morphological, optical, thermal and mechanical properties of the nanocomposites was analyzed. Data collected from the above studies showed that acetylation of BC nanoribbons clearly improved the nanofibers dispersion in the PLA matrix with respect to unmodified BC, which in turn resulted in increased transparency and mechanical properties of the nanocomposites produced.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2019

Effect of Natural Glyceryl Tributyrate as Plasticizer and Compatibilizer on the Performance of Bio-Based Polylactic Acid/poly(3-hydroxybutyrate) Blends

Bio-based poly(lactic acid)/poly(3-hydroxybutyrate) (PLA/PHB) films were melt-blended with a natural hydrophobic plasticizer (glyceryl tributyrate, TB) at three different concentrations (10, 15 and 20% by weight per 100 parts of the blends) to study the effect of TB on the final properties of the materials. The pursued aim was to obtain a material with potential use in the packaging industry. Two different PLA/PHB ratios were used, 70/30 and 60/40, respectively. A full characterization of the developed blends was carried out, including the morphological, thermal, mechanical and barrier properties. The thermal test revealed the immiscibility between PLA and PHB by showing two glass transition temperatures for the blends and biphasic melt. Mechanical tests showed the increased in the elongation at break as the plasticizer content in films increased. The incorporation of PHB crystals in the PLA matrix displayed an improvement in the water barrier properties of materials. Finally, formulations PLA/PHB-TB with 15 wt% of plasticizer presented the best combination of properties suitable for the intended use in films manufacturing, showing toughness and ductility, good water barrier properties and transparency with slightly amber color.

36 MATERIALS SCIENCE↗

DOE OSTI2019

A Review on Material and Antimicrobial Properties of Soy Protein Isolate Film

In twenty first century, there is an increasing demand for packed food which requires packaging films. At present, these packaging films are processed from synthetic polymers such as polyethylene, polypropylene and many other synthetic polymers. But we need to start using soy protein as sustainable antimicrobial film that can be used for packaging purposes. There is abundance and high availability of soy protein isolate (SPI) as by-product from industries, such as food processing or biodiesel production. Soy based films from renewable resources can offer a more suitable alternative to films fabricated from synthetic materials. Soy based films in presence of additives such as acidic compounds, nanoparticles and natural compounds have good mechanical properties and are transparent in nature. In addition, soy based film in presence of 2,2-diphenyl-2-hydroxyethanoic acid and copper phosphate can give lotus-like structure as evidenced from morphological studies. Also the manufacturing process (solution casting and compression molding) of SPI film in the presence or absence of additives is very easy and commercially feasible. It is worth noting that SPI films can be produced at laboratory scale by both casting and compression molding methods. In this review paper, we have focused on the material properties as well as antimicrobial properties of SPI based films in the presence of natural and synthetic additives as reported in the last 20 years.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2019

Highly Size-Selective Water-Insoluble Cross-Linked Carboxymethyl Cellulose Membranes

Carboxymethyl cellulose (CMC) membranes have strong potential for application as molecular-scale separators. For this study, stable CMC membranes were fabricated with aluminum chloride (AlCl{sub 3}) and iron(III) chloride (FeCl{sub 3}) serving as cross-linkers. The resulting CMC-Al and CMC-Fe membranes were optically transparent and water-insoluble with sufficient mechanical strength for practical applications. The water permeation flux through the membranes was directly proportional to the operating pressure. With just a 10-fold increase in the molecular weight from 60 Da (urea) to 604 Da (bordeaux S), the effective diffusion coefficient (D{sub eff}) of the CMC-Al membrane increased 56-fold, and that of the CMC-Fe membrane increased 3500-fold. This significant correlation between D{sub eff} on molecular size indicated that the sizes of the mass transfer channels through the membrane were strictly monodisperse, in the range of molecular sizes that were tested.

36 MATERIALS SCIENCE↗

DOE OSTI2019

A Simple Approach for the Synthesis of Cellulose Nanofiber Reinforced Chitosan/PVP Bio Nanocomposite Film for Packaging

The development of chitosan-based food packaging film has been increasing due to its wider availability, biodegradability, low-cost, and renewability. The purpose of this study was to develop cellulose nanofibers (CNFs) reinforced Chitosan/PVP(CHP) green bio nanocomposite film by solvent casting method with enhanced barrier and mechanical property. CNFs of dimension 9–11 nm and 100–200 nm were extracted from jute fibers by directly treating it with HNO{sub 3}–NaNO{sub 2} mixture. Bio nanocomposite films were synthesized with various concentrations of CNFs and evaluated using SEM, TGA/DTG and XRD to analyze the morphology, thermal behavior and crystallinity of bio nanocomposite films. SEM analysis revealed the uniform dispersion of CNFs in CHP matrix. Thermal stability of prepared bio nanocomposite films was improved with the loading of 5 wt% of cellulose nanofibers. ATR(FT-IR) spectra shows physical interaction between all the components of bio nanocomposite film. The bio nanocomposite films were also characterized for physical property like thickness, mechanical testing and barrier properties. The addition of CNFs significantly enhanced the mechanical property of bio nanocomposite films. Furthermore, water and oxygen transmission rate of bio nanocomposite film decreased with the increase in CNFs concentration. Overall the performed studies confirmed, the use of CNFs in polymer matrix makes it possible to produce a flexible, transparent, thermally stable bio nanocomposite film with enhanced mechanical and barrier properties for food packaging applications.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Magnetism and Optical Property of Mn-Doped Monolayer CrSi{sub 2} by First-Principle Study

We investigate magnetism and optical properties of intrinsic and Mn-doped monolayer CrSi{sub 2} using the first-principle methods based on density functional theory. The results show that both monolayer CrSi{sub 2} sheets are metallic and ferromagnetic (FM) that hold promise in future 2D magnetic devices. In spite the slight reduction of the total magnetic moment of system after Mn doping in monolayer CrSi{sub 2}, the formation energies of ferromagnetic CrSi{sub 2} are also reduced. So, Mn doping in monolayer CrSi{sub 2} can have more promising applications in spintronics and magnetic storage. The optical properties of monolayer CrSi{sub 2}, including the absorption spectra, reflectivity, refractive index, loss function and dielectric function are also calculated. The intensity of reflectivity in far-infrared ranges is enhanced and real part n of refractive index decreases after Mn doping. The real part n of the refractive index is nearly constant (˜1) beyond 13 eV indicating that monolayer CrSi2 is vacuum like and fully transparent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Development of Room-Temperature Ferromagnetism in Nanocomposite CdO Codoped with Al and Gd: Treatment in Hydrogen Atmosphere

Cadmium oxide codoped with Al and Gd ion powders was synthesised by thermal codecomposition of a mixture of complexes of cadmium acetate dihydrate, gadolinium acetate hydrate, and aluminum nitrate nonahydrate. The mass ratio of Al/Cd was fixed while the mass ratio of Gd/Cd varied systematically. The purpose of the present study is to synthesise and study the transparent conducting oxide (TCO) CdO powder having room-temperature ferromagnetic (RT-FM) properties. To realize that purpose, the synthesised Al/Gd-codoped CdO powder was annealed under hydrogen gas with certain conditions. The X-ray diffraction (XRD) method confirmed the formation of a single nanocrystalline structure; thus, both Al/Gd ions were incorporated into CdO lattice forming solid solutions. Magnetic measurements revealed that some of the doped CdO powders gained paramagnetic (PM) properties where the susceptibility increases with increasing dopant Gd content; the measured effective magnetic moment of dopant Gd{sup 3+} was around 8 μ{sub B}. Furthermore, the magnetic energy of the created RT-FM of the codoped CdO samples by hydrogenation was found to be dependent on the Gd% doping level. For hydrogenated CdO powder doped with 3% Gd, the coercivity (H{sub c}) was 195.9 Oe, the remanence (M{sub r}) was 0.77 memu/g, the saturation magnetisation (M{sub s}) was 5.05 memu/g, and the energy product (U{sub m}) was 150.6 merg/g. Thus, the possibility of production of TCO CdO with RT-FM, where magnetic characteristics can be tailored by doping and post treatment under H{sub 2} gas, was proven. Thus, a new potential candidate to be used as a dilute magnetic semiconductor (DMS) was successfully synthesised.

77 NANOSCIENCE AND NANOTECHNOLOGY↗