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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Manipulating surface diffusion and elastic interactions to obtain quantum dot multilayer arrangements over different length scales

An innovative multilayer growth of InAs quantum dots on GaAs(100) is demonstrated to lead to self-aggregation of correlated quantum dot chains over mesoscopic distances. The fundamental idea is that at critical growth conditions is possible to drive the dot nucleation only at precise locations corresponding to the local minima of the Indium chemical potential. Differently from the known dot multilayers, where nucleation of new dots on top of the buried ones is driven by the surface strain originating from the dots below, here the spatial correlations and nucleation of additional dots are mostly dictated by a self-engineering of the surface occurring during the growth, close to the critical conditions for dot formation under the fixed oblique direction of the incoming As flux, that drives the In surface diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal conductivity of configurable two-dimensional carbon nanotube architecture and strain modulation

We reported the thermal conductivity of the two-dimensional carbon nanotube (CNT)-based architecture, which can be constructed through welding of single-wall CNTs by electron beam. Using large-scale nonequilibrium molecular dynamics simulations, the thermal conductivity is found to vary with different junction types due to their different phonon scatterings at the junction. The strong length and strain dependence of the thermal conductivity suggests an effective avenue to tune the thermal transport properties of the CNT-based architecture, benefiting the design of nanoscale thermal rectifiers or phonon engineering.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Unravelling the hidden power of esterases for biomanufacturing of short-chain esters

Abstract Microbial production of esters has recently garnered wide attention, but the current production metrics are low. Evidently, the ester precursors (organic acids and alcohols) can be accumulated at higher titers by microbes like Escherichia coli . Hence, we hypothesized that their ‘direct esterification’ using esterases will be efficient. We engineered esterases from various microorganisms into E. coli , along with overexpression of ethanol and lactate pathway genes. High cell density fermentation exhibited the strains possessing esterase-A (SSL76) and carbohydrate esterase (SSL74) as the potent candidates. Fed-batch fermentation at pH 7 resulted in 80 mg/L of ethyl acetate and 10 mg/L of ethyl lactate accumulation by SSL76. At pH 6, the total ester titer improved by 2.5-fold, with SSL76 producing 225 mg/L of ethyl acetate, and 18.2 mg/L of ethyl lactate, the highest reported titer in E. coli . To our knowledge, this is the first successful demonstration of short-chain ester production by engineering ‘esterases’ in E. coli .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Genome engineering of E. coli for improved styrene production and polymerization

Microbial production of exogenous organic compounds is challenging as biosynthetic pathways are often complex and produce metabolites that are toxic to the hosts. Biogenic styrene is an example of this problem, which if addressed could result in a more sustainable supply of this important component of the plastics industry. In this study, we engineered Escherichia coli for the production of styrene. We systematically optimized the production capability by first screening different pathway expression levels in E. coli strains. We then further designed and constructed a transcription regulator library targeting 54 genes with 85,420 mutations, and tested this library for increased styrene resistance and production. A series of tolerant mutants not only exhibited improved styrene tolerance but also produced higher styrene concentrations compared to the parent strain. The best producing mutant, ST05 LexA_E45I, produced a 3.45-fold increase in styrene compared to the parent strain. The produced styrene was extracted via gas stripping into dodecane and used in a direct free radical synthesis of polystyrene.

09 BIOMASS FUELS↗
DOE OSTI2021

Two-stage dynamic deregulation of metabolism improves process robustness & scalability in engineered E. coli.

Here, we report that two-stage dynamic control improves bioprocess robustness as a result of the dynamic deregulation of central metabolism. Dynamic control is implemented during stationary phase using combinations of CRISPR interference and controlled proteolysis to reduce levels of central metabolic enzymes. Reducing the levels of key enzymes alters metabolite pools resulting in deregulation of the metabolic network. Deregulated networks are less sensitive to environmental conditions improving process robustness. Process robustness in turn leads to predictable scalability, minimizing the need for traditional process optimization. We validate process robustness and scalability of strains and bioprocesses synthesizing the important industrial chemicals alanine, citramalate and xylitol. Predictive high throughput approaches that translate to larger scales are critical for metabolic engineering programs to truly take advantage of the rapidly increasing throughput and decreasing costs of synthetic biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Automated Model Updating Effect on the Linear and Nonlinear Dynamic Responses of Historical Masonry Structures

Finite element models supply the simulation of the problems to obtain the structural behaviors under different loading conditions. The updating processes based on changing the uncertain parameters such as material properties, boundary conditions, meshing size etc. are made to create actual finite element models in order to represent the real conditions of the problems. This procedure can be made using two methods, namely manual model updating and global/local automatic model updating. The global/local automatic model updating procedures are very popular owing to the applicability to all kind of engineering structures, minimizing the differences nearly to zero, availability of damage localization and structural health monitoring. In this paper a historical masonry armory building selected as an application and its finite element analyses, experimental measurements and automated model updating processes are carried out. The finite element model of the structures was developed with ANSYS software and first three natural frequencies are attained. The experimental dynamic characteristics such as natural frequencies, damping ratios and mode shapes are obtained using ambient vibration method. The differences between experimental and numerical frequencies are minimized up to the range of 0–1%, by using local updating procedure. The linear and nonlinear seismic analyses of the building are conducted on initial and updated models. At the end of the analyses, maximum displacements, principal stresses and strains are given with detail. In addition, crack distributions diagrams are attained to validate the stresses accumulation points. It can be seen that there is an increasing trend in the displacement, stress and strain values after finite element model updating both linear and nonlinear analysis. In addition, linear and nonlinear analysis results are compared with each other to evaluate the nonlinear analysis effect. It is concluded that the displacement and strain values are increased after nonlinear analysis. But, there is not any agreement in stress values.

42 ENGINEERING↗
DOE OSTI2019

Discrete element modelling of flexible membrane boundaries for triaxial tests

The discrete element modelling of triaxial tests plays a critical role in unveiling fundamental properties of particulate materials, but the numerical implementation of a flexible membrane boundary for the testing still imposes problems. Here, in this work, a robust algorithm was proposed to reproduce a flexible membrane boundary in triaxial testing. The equivalence of strain energy enables the particle-scale parameters representing the flexible membrane to be directly determined from the real geometric and material parameters of the membrane. Then the proposed flexible membrane boundary was implemented in the context of discrete element simulation of triaxial testing and was validated with laboratory experiments. Furthermore, comparisons of triaxial tests with flexible and rigid boundaries were performed from macro-scale to meso-scale. Lastly, the results show that the boundary condition has limited influences on the stress-strain behaviour but a relatively large impact on the volumetric change, the failure mode, the distribution of contact forces, and the fabric evolution of particles in the specimen during triaxial testing.

42 ENGINEERING↗
NASA NTRS2005

Low-Thermal-Conductivity Pyrochlore Oxide Materials Developed for Advanced Thermal Barrier Coatings

When turbine engines operate at higher temperatures, they consume less fuel, have higher efficiencies, and have lower emissions. The upper-use temperatures of the base materials (superalloys, silicon-based ceramics, etc.) used for the hot-section components of turbine engines are limited by the physical, mechanical, and corrosion characteristics of these materials. Thermal barrier coatings (TBCs) are applied as thin layers on the surfaces of these materials to further increase the operating temperatures. The current state-of-the-art TBC material in commercial use is partially yttria-stabilized zirconia (YSZ), which is applied on engine components by plasma spraying or by electron-beam physical vapor deposition. At temperatures higher than 1000 C, YSZ layers are prone to sintering, which increases thermal conductivity and makes them less effective. The sintered and densified coatings can also reduce thermal stress and strain tolerance, which can reduce the coating s durability significantly. Alternate TBC materials with lower thermal conductivity and better sintering resistance are needed to further increase the operating temperature of turbine engines.

Bansal, Narottam P.↗
DOE OSTI2012

Development and validation of a radial inflow turbine model for simulation of the SNL S-CO 2 split-flow loop

A one-dimensional model for a radial inflow turbine has been developed for super-critical carbon dioxide (S-CO 2 ) Brayton cycle applications. The model accounts for the main phenomena present in the volute, nozzle, and impeller of a single-stage turbine. These phenomena include internal losses due to friction, blade loading, and angle of incidence and parasitic losses due to windage and blade-housing leakage. The model has been added as a component to the G-PASS plant systems code. The model was developed to support the analysis of S-CO 2 cycles in conjunction with small-scale loop experiments. Such loops operate at less than a MWt thermal input. Their size permits components to be reconfigured in new arrangements relatively easily and economically. However, the small thermal input combined with the properties of carbon dioxide lead to turbomachines with impeller diameters of only one to two inches. At these sizes the dominant phenomena differ from those in larger more typical machines. There is almost no treatment in the literature of turbomachines at these sizes. The present work therefore is aimed at developing turbomachine models that support the task of S-CO 2 cycle analysis using small-scale tests. Model predictions were compared against data from an experiment performed for Sandia National Laboratories in the split-flow Brayton cycle loop currently located at Barber-Nichols Inc. The split-flow loop incorporates two turbo-alternator-compressor (TAC) units each incorporating a radial inflow turbine and a radial flow compressor on a common shaft. The predicted thermodynamic conditions at the outlet of the turbine on the main compressor shaft were compared with measured values at different shaft speeds. Two modifications to the original model were needed to better match the experiment data. First, a representation of the heat loss from the volute downstream of the sensed inlet temperature was added. Second, an empirical multiplicative factor was applied to the Euler head and another to the head loss to bring the predicted outlet pressure into better agreement with the experiment. These changes also brought the overall efficiency of the turbine into agreement with values cited by Barber Nichols for small turbines. More generally, the quality of measurement set data can in the future be improved by additional steps taken in the design and operation of the experimental apparatus. First, a thermocouple mounted at the nozzle inlet would provide a better indication of temperature at this key point. Second, heat losses from the turbine should be measured directly. Allowing the impeller to free wheel at inlet conditions and measuring the temperature drop between inlet and outlet would provide a more accurate measure of heat loss. Finally, the enthalpy change during operation is more accurately obtained by measuring the torque on the stator using strain gauges rather than by measuring pressure and temperature at inlet and outlet to infer thermodynamic states.

42 ENGINEERING↗
NASA NTRS1986

Creep fatigue life prediction for engine hot section materials (isotropic): Fourth year progress review

As gas turbine technology continues to advance, the need for advanced life prediction methods for hot section components is becoming more and more evident. The complex local strain and temperature histories at critical locations must be accurately interpreted to account for the effects of various damage mechanisms (such as fatigue, creep, and oxidation) and their possible interactions. As part of the overall NASA HOST effort, this program is designed to investigate these fundamental damage processes, identify modeling strategies, and develop practical models which can be used to guide the early design and development of new engines and to increase the durability of existing engines.

Nelson, Richard S.↗
DOE OSTI2016

FY 2016 Status Report: CIRFT Testing Data Analyses and Updated Curvature Measurements

This report provides a detailed description of FY15 test result corrections/analysis based on the FY16 Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) test program methodology update used to evaluate the vibration integrity of spent nuclear fuel (SNF) under normal transportation conditions. The CIRFT consists of a U-frame testing setup and a real-time curvature measurement method. The three-component U-frame setup of the CIRFT has two rigid arms and linkages to a universal testing machine. The curvature of rod bending is obtained through a three-point deflection measurement method. Three linear variable differential transformers (LVDTs) are used and clamped to the side connecting plates of the U-frame to capture the deformation of the rod. The contact-based measurement, or three-LVDT-based curvature measurement system, on SNF rods has been proven to be quite reliable in CIRFT testing. However, how the LVDT head contacts the SNF rod may have a significant effect on the curvature measurement, depending on the magnitude and direction of rod curvature. It has been demonstrated that the contact/curvature issues can be corrected by using a correction on the sensor spacing. The sensor spacing defines the separation of the three LVDT probes and is a critical quantity in calculating the rod curvature once the deflections are obtained. The sensor spacing correction can be determined by using chisel-type probes. The method has been critically examined this year and has been shown to be difficult to implement in a hot cell environment, and thus cannot be implemented effectively. A correction based on the proposed equivalent gauge-length has the required flexibility and accuracy and can be appropriately used as a correction factor. The correction method based on the equivalent gauge length has been successfully demonstrated in CIRFT data analysis for the dynamic tests conducted on Limerick (LMK) (17 tests), North Anna (NA) (6 tests), and Catawba mixed oxide (MOX) (10 tests) SNF samples. These CIRFT tests were completed in FY14 and FY15. Specifically, the data sets obtained from measurement and monitoring were processed and analyzed. The fatigue life of rods has been characterized in terms of moment, curvature, and equivalent stress and strain..

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

A new yield and failure theory for composite materials under static and dynamic loading

In order to facilitate and accelerate the process of introducing, evaluating and adopting new material systems, it is important to develop/establish comprehensive and effective procedures of characterization, modeling and failure prediction of composite structures based on the properties of the constituent materials, e. g., fibers, matrix, and the single ply or lamina. A new yield/failure theory is proposed for predicting lamina yielding and failure under multi-axial states of stress including strain rate effects. It is based on the equivalent stress concept derived from energy principles and is expressed in terms of a single criterion. It is presented in the form of master yield and failure envelopes incorporating strain rate effects. The theory can be further adapted and extended to the prediction of in situ first ply yielding and failure (FPY and FPF) and progressive damage of multi-directional laminates under static and dynamic loadings. The significance of this theory is that it allows for rapid screening of new composite materials without extensive testing and offers easily implemented design tools.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Facile and quantitative estimation of strain in nanobubbles with arbitrary symmetry in 2D semiconductors verified using hyperspectral nano-optical imaging

When layers of van der Waals materials are deposited via exfoliation or viscoelastic stamping, nanobubbles are sometimes created from aggregated trapped fluids. Though they can be considered a nuisance, nanobubbles have attracted scientific interest in their own right owing to their ability to generate large in-plane strain gradients that lead to rich optoelectronic phenomena, especially in the semiconducting transition metal dichalcogenides. Determination of the strain within the nanobubbles, which is crucial to understanding these effects, can be approximated using elasticity theory. However, the Föppl–von Kármán equations that describe strain in a distorted thin plate are highly nonlinear and often necessitate assuming circular symmetry to achieve an analytical solution. Here, we present an easily implemented numerical method to solve for strain tensors of nanobubbles with arbitrary symmetry in 2D crystals. The method only requires topographic information from atomic force microscopy and the Poisson ratio of the 2D material. We verify that this method reproduces the strain for circularly symmetric nanobubbles that have known analytical solutions. Finally, we use the method to reproduce the Grüneisen parameter of the E' mode for 1L-WS2 nanobubbles on template-stripped Au by comparing the derived strain with measured Raman shifts from tip-enhanced Raman spectroscopy, demonstrating the utility of our method for estimating localized strain in 2D crystals.

2D materials↗
DOE OSTI2012

Ribosome engineering to promote new crystal forms

Truncation of ribosomal protein L9 in T. thermophilus allows the generation of new crystal forms and the crystallization of ribosome–GTPase complexes. Crystallographic studies of the ribosome have provided molecular details of protein synthesis. However, the crystallization of functional complexes of ribosomes with GTPase translation factors proved to be elusive for a decade after the first ribosome structures were determined. Analysis of the packing in different 70S ribosome crystal forms revealed that regardless of the species or space group, a contact between ribosomal protein L9 from the large subunit and 16S rRNA in the shoulder of a neighbouring small subunit in the crystal lattice competes with the binding of GTPase elongation factors to this region of 16S rRNA. To prevent the formation of this preferred crystal contact, a mutant strain of Thermus thermophilus, HB8-MRCMSAW1, in which the ribosomal protein L9 gene has been truncated was constructed by homologous recombination. Mutant 70S ribosomes were used to crystallize and solve the structure of the ribosome with EF-G, GDP and fusidic acid in a previously unobserved crystal form. Subsequent work has shown the usefulness of this strain for crystallization of the ribosome with other GTPase factors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Rate-Dependent Dynamic Cylindrical Cavity Expansion Equations for Conical- and Ogival-Nosed Projectiles

The dynamic cylindrical cavity expansion of rate-dependent materials was previously derived by Warren to examine the effects of strain-rate sensitivity on the radial stress acting on a perforating projectile. However, the equations presented were largely analytical and were not further applied to predict the ballistic performance of ductile target plates. The current work expands on Warren’s derivation to model the dynamics of conical and ogival geometries, and the rate-dependent model is compared to prior experimental results of 7.62-mm APM2 rounds impacting 6061-T6511 aluminum alloy plates. The results show that including rate effects improves the ballistic performance prediction, even for a marginally strain-rate sensitive material such as Al6061-T651. However, existing semi-empirical variations of the cavity expansion model can provide the same degree of accuracy if target material rate-sensitivity parameters are not readily available.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Defect Dynamics at a Single Pt Nanoparticle during Catalytic Oxidation

Defects can affect all aspects of a material by altering its electronic properties and controlling its chemical reactivity. At defect sites, preferential adsorption of reactants and/or formation of chemical species at active sites are observed in heterogeneous catalysis. Understanding the structural response at defect sites during catalytic reactions provides a unique opportunity to exploit defect control of nanoparticle-based catalysts. However, it remains difficult to characterize the strain and defect evolution for a single nanocrystal catalyst in situ. Here, we report Bragg coherent X-ray diffraction imaging of defect dynamics in an individual Pt nanoparticle during catalytic methane oxidation. We observed that the initially tensile strained regions of the crystal became seed points for the development of further strain and subsequent disappearance of diffraction density during oxidation reactions. Our team's detailed understanding of the catalytically induced deformation at the defect sites and observed reversibility during the relevant steps of the catalytic oxidation process provide important insights of defect control and engineering of heterogeneous catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Recovery Act – Integrated Pilot-Scale Biorefinery for Producing Ethanol from Hybrid Algae

As a scientific and engineering endeavor, the Algenol IBR Biorefinery project has been a success by almost any measure. The vision for the system evolved significantly over the course of the project, always due to recognized opportunities for improved performance, lower energy consumption, and reduced costs. Our commitment to thorough, realistic, techno-economic and life cycle assessments has been an essential element for system innovation, technology guidance, and change management of the overall facility. The biological tools developed during this program for cyanobacteria are second to none, and are the primary reason for the remarkable improvements in organism performance. The breakthrough was the successful transformation of our most robust wild type organism (AB1) early in 2012. That was followed by a series of improvements over the next several years that produced strains wherein over 80% of the fixed carbon was converted into ethanol. At the same time, our expertise in cultivation, physiology, process engineering, CO2 management, and photobioreactor design and manufacturing grew at a comparable pace. We learned enormous amounts from the various upsets, weather variations, contamination events, and new technology related disappointments. We overcame those challenges to produce fuel grade ethanol with a low carbon footprint, and are within striking distance of economic viability even with the challenges of low fossil fuel prices.

09 BIOMASS FUELS↗
DOE OSTI2021

Fabrication of Six Degrees-of-Freedom Hexflex Positioner With Integrated Strain Sensing Using Nonlithographically Based Microfabrication

In this study, a process flow is described for the low cost, flexible fabrication of metal micro-electromechanical systems (MEMS) with high performance integrated sensing. The process is capable of producing new designs in ≈1 week at an average unit cost of <$1 k/device even at batch sizes of ≈1–10, with expected sensing performance limits of about 135 dB over a 10 kHz sensor bandwidth. This is a ≈20× reduction in cost, ≈25× reduction in time, and potentially >30× increase in sensing dynamic range over comparable state-of-the-art compliant nanopositioners. The nonlithographically based microfabrication (NLBM) process is uniquely suited to create high performance nanopositioning architectures which are customizable to the positioning requirements of a range of nanoscale applications. These can significantly reduce the cost of nanomanufacturing research and development, as well as accelerate the development of new processes and the testing of fabrication process chains without excess capital investment. A six degrees-of-freedom (6DOF) flexural nanopositioner with integrated sensing for all 6DOF was fabricated using the newly developed process chain. The fabrication process was measured to have ≈30 μ m alignment. Sensor arm, flexure, and trace widths of 150 μ m, 150 μ m, and 800 μ m, respectively, were demonstrated. Process capabilities suggest lower bounds of 25 μ m, 50 μ m, and 100 μ m, respectively. Dynamic range sensing of 52 dB was demonstrated for the nanopositioner over a 10 kHz sensor bandwidth. Improvements are proposed to approach sensor performance of about 135 dB over a 10 kHz sensor bandwidth.

42 ENGINEERING↗