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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Impacts of cellulase deactivation at the moving air–liquid interface on cellulose conversions at low enzyme loadings

Background: We recently confirmed that the deactivation of T. reesei cellulases at the air–liquid interface reduces microcrystalline cellulose conversion at low enzyme loadings in shaken flasks. It is one of the main causes for lowering of cellulose conversions at low enzyme loadings. However, supplementing cellulases with small quantities of surface-active additives in shaken flasks can increase cellulose conversions at low enzyme loadings. It was also shown that cellulose conversions at low enzyme loadings can be increased in unshaken flasks if the reactions are carried for a longer time. This study further explores these recent findings to better understand the impact of air–liquid interfacial phenomena on enzymatic hydrolysis of cellulose contained in Avicel, Sigmacell, α-cellulose, cotton linters, and filter paper. The impacts of solids and enzyme loadings, supplementation with nonionic surfactant Tween 20 and xylanases, and application of different types of mixing and reactor designs on cellulose hydrolysis were also evaluated.Results: Avicel cellulose conversions at high solid loading were more than doubled by minimizing loss of cellulases to the air–liquid interface. Maximum cellulose conversions were high for surface-active supplemented shaken flasks or unshaken flasks because of low cellulase deactivation at the air–liquid interface. The nonionic surfactant Tween 20 was unable to completely prevent cellulase deactivation in shaken flasks and only reduced cellulose conversions at unreasonably high concentrations.Conclusions: High dynamic interfacial areas created through baffles in reactor vessels, low volumes in high-capacity vessels, or high shaking speeds severely limited cellulose conversions at low enzyme loadings. Precipitation of cellulases due to aggregation at the air–liquid interface caused their continuous deactivation in shaken flasks and severely limited solubilization of cellulose.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Metal/ceramic interface structures and segregation behavior in aluminum-based composites

Trimodal Al alloy (AA) matrix composites consisting of ultrafine-­grained (UFG) and coarse-­ grained (CG) Al phases and micron-­sized B 4 C ceramic reinforcement particles exhibit combinations of strength and ductility that render them useful for potential applications in the aerospace, defense and automotive industries. Tailoring of microstructures with specific mechanical properties requires a detailed understanding of interfacial structures to enable strong interface bonding between ceramic reinforcement and metal matrix, and thereby allow for effective load transfer. Trimodal AA metal matrix composites typically show three characteristics that are noteworthy: nanocrystalline grains in the vicinity of the B4C reinforcement particles; Mg segregation at AA/B 4 C interfaces; and the presence of amorphous interfacial layers separating nanocrystalline grains from B 4 C particles. Interestingly, however, fundamental information related to the mechanisms responsible for these characteristics as well as information on local compositions and phases are absent in the current literature. Here in this study, we use high-­resolution transmission electron microscopy, energy-­dispersive X-­ray spectroscopy, electron energy-­loss spectroscopy, and precession assisted electron diffraction to gain fundamental insight into the mechanisms that affect the characteristics of AA/B 4 C interfaces. Specifically, we determined interfacial structures, local composition and spatial distribution of the interfacial constituents. Near atomic resolution characterization revealed amorphous multilayers and a nanocrystalline region between Al phase and B 4 C reinforcement particles. The amorphous multilayers consist of nonstoichiometric Al x O y , while the nanocrystalline region is comprised of MgO nanograins. The experimental results are discussed in terms of the possible underlying mechanisms at AA/B 4 C interfaces.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Supercomputer networking for space science applications

The initial design of a supercomputer network topology including the design of the communications nodes along with the communications interface hardware and software is covered. Several space science applications that are proposed experiments by GSFC and JPL for a supercomputer network using the NASA ACTS satellite are also reported.

Edelson, B. I.↗
NASA NTRS2001

On Multifunctional Collaborative Methods in Engineering Science

Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized.

Ransom, Jonathan B.↗
DOE OSTI2024

Bridging molecular-scale interfacial science with continuum-scale models

Solid–water interfaces are crucial for clean water, conventional and renewable energy, and effective nuclear waste management. However, reflecting the complexity of reactive interfaces in continuum-scale models is a challenge, leading to oversimplified representations that often fail to predict real-world behavior. This is because these models use fixed parameters derived by averaging across a wide physicochemical range observed at the molecular scale. Recent studies have revealed the stochastic nature of molecular-level surface sites that define a variety of reaction mechanisms, rates, and products even across a single surface. To bridge the molecular knowledge and predictive continuum-scale models, we propose to represent surface properties with probability distributions rather than with discrete constant values derived by averaging across a heterogeneous surface. This conceptual shift in continuum-scale modeling requires exponentially rising computational power. By incorporating our molecular-scale understanding of solid–water interfaces into continuum-scale models we can pave the way for next generation critical technologies and novel environmental solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Impact of interfaces on the radiation response and underlying defect recovery mechanisms in nanostructured Cu-Fe-Ag

Newest developments in nuclear fission and fusion technology as well as planned long-distance space missions demand novel materials to withstand harsh, irradiative environments. Radiation-induced hardening and embrittlement are a concern that can lead to failure of materials deployed in these applications. Here the underlying mechanisms are accommodation and clustering of lattice defects created by the incident radiation particles. Interfaces, such as free surfaces, phase and grain boundaries, are known for trapping and annihilating defects and therefore preventing these radiation-induced defects from forming clusters. In this work, differently structured nanocomposite materials based on Cu-Fe-Ag were fabricated using a novel solid-state route, combining severe plastic deformation with thermal and electrochemical treatments. The influence of different interface types and spacings on radiation effects in these materials was investigated using nanoindentation. Interface-rich bulk nanocomposites showed a slight decrease in hardness after irradiation, whereas the properties of a nanoporous material remain mostly unchanged. An explanation for this different material behavior and its link to recovery mechanisms at interfaces is attempted in this work, paving a concept towards radiation resistant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Solid-state batteries and the critical role of interfaces

The Grand Challenge for the next generation of energy storage technologies is no longer the identification of electroactive cathode or anode materials thanks to extensive worldwide synthesis efforts along with theory and modeling like the Materials Project.1 Instead, the critical challenges revolve around assembling materials in the right architecture to achieve maximum performance and cell life at reasonable temperatures and pressures. Nowhere is this more critical than on the next generation of energy storage technologies revolving around all solid-state batteries. These batteries are the ultimate challenge for materials science requiring new ways to assemble multiple dissimilar materials such that: (1) interfaces are optimized to facilitate ion motion across the different compounds while (2) maintaining chemical stability and (3) simultaneously preserving the crystal structures of each phase during (4) large volume changes due to shuttling of lithium, at (5) room temperature and under (6) atmospheric pressure. To address these requirements will require insights and expertise from research fields outside the traditional lithium-ion battery community such as solid oxide fuel cells, synthesis science, barrier layers, interface formers, sintering, and mechanical properties.

25 ENERGY STORAGE↗
NASA NTRS1995

The Planetary Data System Web Catalog Interface--Another Use of the Planetary Data System Data Model

The Planetary Data System Data Model consists of a set of standardized descriptions of entities within the Planetary Science Community. These can be real entities in the space exploration domain such as spacecraft, instruments, and targets; conceptual entities such as data sets, archive volumes, and data dictionaries; or the archive data products such as individual images, spectrum, series, and qubes.

interface science metadata↗
DOE OSTI2023

Integrating Artificial Intelligence into Science Gateways

Science gateways are altering the manner in which people interact with high performance computing (HPC) by providing a web browser based interface to advanced computing platforms. In particular, science gateways lower the barrier to using HPC by simplifying the process of submitting workloads to such systems and by offloading the efforts required to use HPC to the maintainers of the system. While science gateways decrease the time-to-science that comes with using such advanced systems, progress can still be made in improving the user's experience. In this paper we explore two strategies for integrating artificial intelligence tools commonly found in non-HPC service workflows: voice activated assistants and chatbots. Since August 2021, the HPC group at Idaho National Laboratory answers an average of 581 support tickets per month of which a large percentage could be addressed via these two strategies. This work defines the key capabilities that an HPC voice activated assistant and chatbot would need to address for a userbase consisting of largely non-expert users as well as a design for integration into the Open OnDemand science gateway.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The effects of nanoscale confinement on the behavior of metal laminates

By reducing the layer thickness, h, in metal multilayers from micrometer- to nanometer-levels, scale-dependent transitions in behavior are observed. The role of interface properties in these transitions has been extensively investigated. However, reducing h to the nanoscale regime also imposes a physical geometric confinement on defect-related processes occurring within the layers, an effect that is relatively less explored. Herein, we present illustrative examples of the influence of nanoconfinement on the strength, structure, and radiation response of multilayers. These examples show that nanoconfinement and interface structure and topology act cooperatively in the nanoscale limit, affecting behaviors that cannot be explained based on either factor alone.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Engineering High- k /SiGe Interface with ALD Oxide for Selective GeO x Reduction

Suppression of electronic defects induced by GeO x at the high- k gate oxide/SiGe interface is critical for implementation of high-mobility SiGe channels in complementary metal-oxide-semiconductor (CMOS) technology. Theoretical and experimental studies have shown that a low defect density interface can be formed with an SiO x -rich interlayer on SiGe. Experimental studies in the literature indicate a better interface formation with Al 2 O 3 in contrast to HfO 2 on SiGe; yet, the mechanism behind this is not well understood. In this study, the mechanism of forming a low defect density interface between Al 2 O 3 /SiGe is discovered using atomic layer deposited (ALD) Al 2 O 3 insertion into or on top of ALD HfO 2 gate oxides. To elucidate the mechanism, correlations are made between the defect density determined by impedance measurements and the chemical and physical structures of the interface determined by high-resolution scanning transmission electron microscopy and electron energy loss spectroscopy. The compositional analysis reveals an SiO x rich interlayer for both Al 2 O 3 /SiGe and HfO 2 /SiGe interfaces with the insertion of Al 2 O 3 into or on top of the HfO 2 oxide. The data is consistent with the Al 2 O 3 insertion inducing decomposition of the GeO x from the interface to form an electrically passive, SiO x rich interface on SiGe. This mechanism demonstrates that nanolaminate gate oxide chemistry cannot be interpreted as resulting from a simple layer-by-layer ideal ALD process, because the precursor or its reaction products can diffuse through the oxide during growth and react at the semiconductor interface. This finding shows that in scaled CMOS, remote oxide ALD (oxide ALD on top of the gate oxide) can be used to suppress electronic defects at gate oxide semiconductor interfaces by oxygen scavenging.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Perfect Strain Relaxation in Metamorphic Epitaxial Aluminum on Silicon through Primary and Secondary Interface Misfit Dislocation Arrays

Understanding the atomically precise arrangement of atoms at epitaxial interfaces is important for emerging technologies such as quantum materials that have function and performance dictated by bonds and defects that are energetically active on the micro-electronvolt scale. A combination of atomistic modeling and dislocation theory analysis describes both primary and secondary dislocation networks at the metamorphic Al/Si (111) interface, which is experimentally validated by atomic resolution scanning transmission electron microscopy. The electron microscopy images show primary misfit dislocations for the majority of the strain relief and evidence of a secondary structure allowing for complete relaxation of the Al–Si misfit strain. Finally, this study demonstrates the equilibrium interface that represents the lowest energy structure of a highly mismatched and semicoherent single-crystal interface with complete strain relief in an atomically abrupt structure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dependence of adhesion on degradation mechanisms of ethylene co-vinyl acetate encapsulants over the lifetime of photovoltaic modules

The long-term reliability of encapsulation has a critical impact on the overall cost and effectiveness of photovoltaic modules. An often overlooked but important element of this reliability concerns adhesive degradation of the encapsulant, which results in delamination. This work critically examines the degradation mechanisms – deacetylation, β-scission, and hydrolytic depolymerization – primarily responsible for adhesion loss in ethylene co-vinyl acetate (EVA) encapsulants to provide evidence and clarity regarding the contribution of these mechanisms to the adhesive degradation over the lifetime of a module. EVA samples obtained from mini-modules exposed in two sets of controlled, accelerated conditions – with and without ultraviolet (UV) radiation – are characterized to find specific evidence for the proposed degradation mechanisms. The mini-modules were exposed up to 10,000 h, which represents up to 15–20 years in the field. Results affirm that initially, deacetylation dominates the degradation before scission takes over, followed by hydrolytic depolymerization. Additional analysis highlights the climacteric interdependency between deacetylation and hydrolytic depolymerization as it relates to eventual delamination, where deacetylation products catalyze interfacial hydrolysis reactions. Furthermore, effects occurring at a given interface are isolated, explicitly providing evidence for how these mechanisms are nonuniform throughout the thickness of the EVA. Results demonstrate that the EVA that interfaces with the glass as opposed to the cell experiences increased levels of degradation, explaining why this initially stronger interface becomes the preferential interface for delamination after longer periods of exposure. Additionally, elevated temperatures alone are shown to induce limited migration of sodium ions across the glass/EVA interface.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Gas and water recycling system for IOC vivarium experiments

Water and gas recycling units designed as one of the common experiment support system for the life science experiment facilities used in the Japanese Experiment Module are discussed. These units will save transportation and operation costs for the life science experiments in the space station. These units are also designed to have interfaces so simple that the connection to another life science experiment facilities such as the Research Animal Holding Facility developed by the Rockheed Missiles and Space Company can be easily done with small modification.

Nitta, K.↗
NASA NTRS1989

Telescience workstation

As part of the Telescience Testbed Pilot Program, the Universities Space Research Association/ Research Institute for Advanced Computer Science (USRA/RIACS) proposed to support remote communication by providing a network of human/machine interfaces, computer resources, and experimental equipment which allows: remote science, collaboration, technical exchange, and multimedia communication. The telescience workstation is intended to provide a local computing environment for telescience. The purpose of the program are as follows: (1) to provide a suitable environment to integrate existing and new software for a telescience workstation; (2) to provide a suitable environment to develop new software in support of telescience activities; (3) to provide an interoperable environment so that a wide variety of workstations may be used in the telescience program; (4) to provide a supportive infrastructure and a common software base; and (5) to advance, apply, and evaluate the telescience technolgy base. A prototype telescience computing environment designed to bring practicing scientists in domains other than their computer science into a modern style of doing their computing was created and deployed. This environment, the Telescience Windowing Environment, Phase 1 (TeleWEn-1), met some, but not all of the goals stated above. The TeleWEn-1 provided a window-based workstation environment and a set of tools for text editing, document preparation, electronic mail, multimedia mail, raster manipulation, and system management.

Brown, Robert L.↗
DOE OSTI2018

Effect of Si on the Formation and Growth of Intermetallic Compounds at Roll-Bonded Aluminum–Steel (Al-St) Interface

The formation and growth of intermetallic compounds (IMC) were investigated using the Al-St clad materials with additional different Si content to aluminum and steel substrate by differential scanning calorimetry, scanning electron microscopy and energy-dispersive x-ray spectroscopy, x-ray diffraction and transmission electron microscopy. The addition of Si to Al (Al-0.8Si/St) can drastically delay the formation of IMC and accelerate the growth of IMC layer. The Si (Al-0.8Si/St) segregates at the interface and inhibits the diffusion of Al atom to steel before the IMC forms, which further decreases the diffusion depth of Al in the steel layer. By contrast, the addition of Si to St (Al/St-0.8Si) has limited impact on delaying the formation and decelerating the growth of IMC layer. The Si (Al/St-0.8Si) hardly affects the diffusion of Fe atom to the aluminum layer. Among the four clad materials, the major IMC layer (η-Fe{sub 2}Al{sub 5}) always exhibits the parabolic growth phenomenon. The addition of Si cannot influence the phase compositions of IMC at the interface between the η-Fe{sub 2}Al{sub 5} layer and the aluminum. However, we observe an extra Fe-rich phase β{sub 1}-Fe{sub 3}Al at the interface between the Fe{sub 2}Al{sub 5} layer and steel substrate in the Al-0.8Si/St clad material.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Ultrafast Thermal Transport at Interfaces

Our research program on Ultrafast Thermal Transport at Interfaces advanced understanding of the mesoscale science of heat conduction. At the length and time scales of atoms and atomic motions, energy is transported by interactions between single-particle and collective excitations. At macroscopic scales, entropy, temperature, and heat are the governing concepts. Key gaps in fundamental knowledge appear at the transitions between these two regimes. The transport of thermal energy at interfaces plays a pivotal role in these scientific issues. Measurements of heat transport with ultrafast time resolution are needed because picoseconds are the fundamental scales where the lack of equilibrium between various thermal excitations becomes a important factor in the transport physics. A critical aspect of our work has been the development of experimental methods and model systems that enabled more precise and sensitive investigations of nanoscale thermal transport.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Transmission electron microscopy characterization of the interfacial structure of a galvanized dual-phase steel

Site-specific studies were carried out to characterize the interface of a galvanized dual-phase (DP) steel. Focused ion beam (FIB) was used to prepare specimens in the interface region (~ 100 nm thick) between the coating and the substrate. Transmission electron microscopy (TEM), scanning TEM (STEM), and high resolution TEM (HRTEM) were performed to resolve the phases and the structures at the interface between the zinc (Zn) coating and the steel substrate. The STEM and TEM results showed that a continuous manganese oxide (MnO) film with a thickness of ~ 20 nm was present on the surface of the substrate while no silicon (Si) oxides were resolved. Internal oxide particles were observed as well in the sub-surface region. Despite the presence of the continuous oxide film, a well-developed inhibition layer was observed right on top of the oxide film. The inhibition layer has a thickness of ~ 100 nm. Possible mechanisms for the growth of the inhibition layer were discussed. - Highlights: •Site-specific examinations were performed on the Zn/steel interface. •Continuous external MnO oxides (20 nm) were observed at the interface. •No Si oxides were observed at the interface. •Internal oxide particles were distributed in the subsurface. •A continuous inhibition layer grew on top of the external oxides.

36 MATERIALS SCIENCE↗