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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Wings: A New Paradigm in Human-Centered Design

Many aircraft accidents/incidents investigations cite crew error as a causal factor (Boeing Commercial Airplane Group 1996). Human factors experts suggest that crew error has many underlying causes and should be the start of an accident investigation and not the end. One of those causes, the flight deck design, is correctable. If a flight deck design does not accommodate the human's unique abilities and deficits, crew error may simply be the manifestation of this mismatch. Pilots repeatedly report that they are "behind the aircraft" , i.e., they do not know what the automated aircraft is doing or how the aircraft is doing it until after the fact. Billings (1991) promotes the concept of "human-centered automation"; calling on designers to allocate appropriate control and information to the human. However, there is much ambiguity regarding what it mean's to be human-centered. What often are labeled as "human-centered designs" are actually designs where a human factors expert has been involved in the design process or designs where tests have shown that humans can operate them. While such designs may be excellent, they do not represent designs that are systematically produced according to some set of prescribed methods and procedures. This paper describes a design concept, called Wings, that offers a clearer definition for human-centered design. This new design concept is radically different from current design processes in that the design begins with the human and uses the human body as a metaphor for designing the aircraft. This is not because the human is the most important part of the aircraft (certainly the aircraft would be useless without lift and thrust), but because he is the least understood, the least programmable, and one of the more critical elements. The Wings design concept has three properties: a reversal in the design process, from aerodynamics-, structures-, and propulsion-centered to truly human-centered; a design metaphor that guides function allocation and control and display design; and a deliberate distinction between two fundamental functions of design, to complement and to interpret human performance. The complementary function extends the human's capabilities beyond his or her current limitations - this includes sensing, computation, memory, physical force, and human decision making styles and skills. The interpretive (or hermeneutic, Hollnagel 1991) function translates information, functionality, and commands between the human and the aircraft. The Wings design concept allows the human to remain aware of the aircraft through natural interpretation. It also affords great improvements in system performance by maximizing the human's natural abilities and complementing the human's skills in a natural way. This paper will discuss the Wings design concept by describing the reversal in the traditional design process, the function allocation strategy of Wings, and the functions of complementing and interpreting the human.

Schutte, Paul C.↗
DOE OSTI2022

Industrial Deployment of Computer Aided Manufacturing Software for Hybrid Advanced Manufacturing

GibbsCAM, 3D Systems’ software product, is a full-featured CAM system that provides powerful CNC programming, capabilities, and solutions, delivering high quality parts without sacrificing ease of use. Oak Ridge National Laboratory (ORNL) collaborated with GibbsCAM to evaluate their toolpath generating software being developed for both blown powder and hybrid CNC/additive manufacturing machinery. The current approach in toolpath solutions for additive manufacturing is to utilize subtractive toolpaths created by existing CAM software and reversing it for additive manufacturing applications. GibbsCAM is working to develop a full solution to mitigate the challenges that arise with this approach and deploy a fully customized solution for producing quality, reliable components for a range of different DED systems. When successful, this will be an automated solution deployed through a future release of GibbsCAM software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Engineering an improved light-induced dimer (iLID) for controlling the localization and activity of signaling proteins

The discovery of light-inducible protein–protein interactions has allowed for the spatial and temporal control of a variety of biological processes. To be effective, a photodimerizer should have several characteristics: it should show a large change in binding affinity upon light stimulation, it should not cross-react with other molecules in the cell, and it should be easily used in a variety of organisms to recruit proteins of interest to each other. In this study, to create a switch that meets these criteria we have embedded the bacterial SsrA peptide in the C-terminal helix of a naturally occurring photoswitch, the light-oxygen-voltage 2 (LOV2) domain from Avena sativa. In the dark the SsrA peptide is sterically blocked from binding its natural binding partner, SspB. When activated with blue light, the C-terminal helix of the LOV2 domain undocks from the protein, allowing the SsrA peptide to bind SspB. Without optimization, the switch exhibited a twofold change in binding affinity for SspB with light stimulation. Here, we describe the use of computational protein design, phage display, and high-throughput binding assays to create an improved light inducible dimer (iLID) that changes its affinity for SspB by over 50-fold with light stimulation. A crystal structure of iLID shows a critical interaction between the surface of the LOV2 domain and a phenylalanine engineered to more tightly pin the SsrA peptide against the LOV2 domain in the dark. Finally, we demonstrate the functional utility of the switch through light-mediated subcellular localization in mammalian cell culture and reversible control of small GTPase signaling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Development of control quality factor for HVAC control loop performance assessment I—Methodology (ASHRAE RP-1587)

This article is the second paper from the ASHRAE research project RP-1587, focusing on the methodology of obtaining a control quality factor (CQF). This article presents a development of two CQFs for assessing the heating, ventilation, and air-conditioning (HVAC) control loop performance. Both CQFs are able to detect whether the control loop is able to maintain the setpoint and identify the loop's ability to handle disturbances. In addition, the reversal behaviors are assessed as well. The first CQF (CQF-Harris) is proposed based on the normalized Harris index using the recursive least squares method. This recursive least squares method is selected because of its computational efficiency compared with the maximum likelihood estimation method. The second CQF (CQF-EWMA) is based on the exponentially weighted moving average of the error ratio. The assessment scale of excellent, good, fair, bad, and failed, which indicates the quality of the HVAC control loops, is established as well. The sensitivity analysis for both CQFs is also conducted, and it provides insights on choosing the appropriate parameters to compute such CQFs. Such parameters include the sampling frequency, the length of the moving window, and the variance of the unmeasured disturbance. The field evaluations and tests of the proposed CQFs for simulated control loops and real control loops can be found in the companion paper with the title 'Development of Control Quality Factor for HVAC Control Loop Performance Assessment - III: Field Testing and Results (ASHRAE RP-1587).'

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1982

Elastic-plastic finite-element analyses of thermally cycled single-edge wedge specimens

Elastic-plastic stress-strain analyses were performed for single-edge wedge alloys subjected to thermal cycling in fluidized beds. Three cases (NASA TAZ-8A alloy under one cycling condition and 316 stainless steel alloy under two cycling conditions) were analyzed by using the MARC nonlinear, finite-element computer program. Elastic solutions from MARC showed good agreement with previously reported solutions that used the NASTRAN and ISO3DQ computer programs. The NASA TAZ-8A case exhibited no plastic strains, and the elastic and elastic-plastic analyses gave identical results. Elastic-plastic analyses of the 316 stainless steel alloy showed plastic strain reversal with a shift of the mean stresses in the compressive direction. The maximum equivalent total strain ranges for these cases were 13 to 22 percent greater than that calculated from elastic analyses.

Kaufman, A.↗
DOE OSTI2014

EMAPS: An Efficient Multiscale Approach to Plasma Systems with Non-MHD Scale Effects

Using Discrete-Event Simulation (DES) as a novel paradigm for time integration of large-scale physics-driven systems, we have achieved significant breakthroughs in simulations of multi-dimensional magnetized plasmas where ion kinetic and finite Larmor radius (FLR) and Hall effects play a crucial role. For these purposes we apply a unique asynchronous simulation tool: a parallel, electromagnetic Particle-in-Cell (PIC) code, HYPERS (Hybrid Particle Event-Resolved Simulator), which treats plasma electrons as a charge neutralizing fluid and solves a self-consistent set of non-radiative Maxwell, electron fluid equations and ion particle equations on a structured computational grid. HYPERS enables adaptive local time steps for particles, fluid elements and electromagnetic fields. This ensures robustness (stability) and efficiency (speed) of highly dynamic and nonlinear simulations of compact plasma systems such spheromaks, FRCs, ion beams and edge plasmas. HYPERS is a unique asynchronous code that has been designed to serve as a test bed for developing multi-physics applications not only for laboratory plasma devices but generally across a number of plasma physics fields, including astrophysics, space physics and electronic devices. We have made significant improvements to the HYPERS core: (1) implemented a new asynchronous magnetic field integration scheme that preserves local divB=0 to within round-off errors; (2) Improved staggered-grid discretizations of electric and magnetic fields. These modifications have significantly enhanced the accuracy and robustness of 3D simulations. We have conducted first-ever end-to-end 3D simulations of merging spheromak plasmas. The preliminary results show: (1) tilt-driven relaxation of a freely expanding spheromak to an m=1 Taylor helix configuration and (2) possibility of formation of a tilt-stable field-reversed configuration via merging and magnetic reconnection of two double-sided spheromaks with opposite helicities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Pressure-induced transformations in amorphous silicon: A computational study

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence

Multicolor carbon dots (CDs) have been developed recently and demonstrate great potential in bio-imaging, sensing, and LEDs. However, the fluorescence mechanism of their tunable colors is still under debate, and efficient separation methods are still challenging. Herein, we synthesized multicolor polymeric CDs through solvothermal treatment of citric acid and urea in formamide. Automated reversed-phase column separation was used to achieve fractions with distinct colors, including blue, cyan, green, yellow, orange and red. This work explores the physicochemical properties and fluorescence origins of the red, green, and blue fractions in depth with combined experimental and computational methods. Three dominant fluorescence mechanism hypotheses were evaluated by comparing time-dependent density functional theory and molecular dynamics calculation results to measured characteristics. We find that blue fluorescence likely comes from embedded small molecules trapped in carbonaceous cages, while pyrene analogs are the most likely origin for emission at other wavelengths, especially in the red. Also important, upon interaction with live cells, different CD color fractions are trafficked to different sub-cellular locations. Super-resolution imaging shows that the blue CDs were found in a variety of organelles, such as mitochondria and lysosomes, while the red CDs were primarily localized in lysosomes. These findings significantly advance our understanding of the photoluminescence mechanism of multicolor CDs and help to guide future design and applications of these promising nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Competing Intermolecular and Molecule–Surface Interactions: Dipole–Dipole-Driven Patterns in Mixed Carborane Self-Assembled Monolayers

Carboranedithiol isomers adsorbing with opposite orientations of their dipoles on surfaces are self-assembled together to form mixed monolayers where both lateral dipole–dipole and lateral thiol–thiolate (S–H···S) interactions provide enhanced stability over single-component monolayers. Here, we demonstrate the first instance of the ability to map individual isomers in a mixed monolayer using the model system carboranedithiols on Au{111}. The addition of methyl groups to one isomer provides both an enhanced dipole moment and extra apparent height for differentiation via scanning tunneling microscopy (STM). Associated computational investigations rationalize favorable interactions of mixed pairs and the associated stability changes that arise from these interactions. Both STM images and Monte Carlo simulations yield similarly structured mixed monolayers, where approximately 10% of the molecules have reversed dipole moment orientations but no direct chemical attachment to the surface, leading to homogeneous monolayers with no apparent phase separation. Deprotonating the thiols by depositing the molecules under basic conditions eliminates the lateral S–H···S interactions while accentuating the dipole–dipole forces. The molecular system investigated is composed of isomeric molecules with opposite orientations of dipoles and identical surface packing, which enables the mapping of individual molecules within the mixed monolayers and enables analyses of the contributions of the relatively weak lateral interactions to the overall stability of the assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease

The long interspersed nuclear element-1 (LINE-1 or L1) retrotransposon is the only active autonomously replicating retrotransposon in the human genome. L1 harms the cell by inserting new copies, generating DNA damage, and triggering inflammation. Therefore, L1 inhibition could be used to treat many diseases associated with these processes. Previous research has focused on inhibition of the L1 reverse transcriptase due to the prevalence of well-characterized inhibitors of related viral enzymes. Here we present the L1 endonuclease as another target for reducing L1 activity. We characterize structurally diverse small molecule endonuclease inhibitors using computational, biochemical, and biophysical methods. We also show that these inhibitors reduce L1 retrotransposition, L1-induced DNA damage, and inflammation reinforced by L1 in senescent cells. These inhibitors could be used for further pharmacological development and as tools to better understand the life cycle of this element and its impact on disease processes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Frequency driven inversion of tunnel magnetoimpedance and observation of positive tunnel magnetocapacitance in magnetic tunnel junctions

The relevance for modern computation of non-volatile high-frequency memories makes ac-transport measurements of magnetic tunnel junctions (MTJs) crucial for exploring this regime. Here, we demonstrate a frequency-mediated effect in which the tunnel magnetoimpedance reverses its sign in a classical Co/Al{sub 2}O{sub 3}/NiFe MTJ, whereas we only observe a gradual decrease in the tunnel magnetophase. Such effects are explained by the capacitive coupling of a parallel resistor and capacitor in the equivalent circuit model of the MTJ. Furthermore, we report a positive tunnel magnetocapacitance effect, suggesting the presence of a spin-capacitance at the two ferromagnet/tunnel-barrier interfaces. Our results are important for understanding spin transport phenomena at the high frequency regime in which the spin-polarized charge accumulation due to spin-dependent penetration depth at the two interfaces plays a crucial role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Symmetry-protected topological polarons

Emergent quasiparticles in solids often exhibit unique topological properties as a result of the complex interplay between charge, orbital, spin, and lattice degrees of freedom. Among these quasiparticles, the polaron occupies a special place as the first known manifestation of the interaction between a fermion and a boson field. While polarons have been investigated for almost a century, whether these quasiparticles exhibit topological properties and why remain open questions. Here, we establish the universal symmetry principles governing the topology of polar textures in large polarons. Using a group-theoretic analysis, we identify four distinct classes of polar textures in time-reversal-invariant systems, and we show that they carry integer topological charges. We validate this classification by performing state-of-the-art first-principles calculations of materials representative of each class. For these materials, we compute the fingerprints of polaron topology in Huang diffuse scattering and propose ultrafast electron and X-ray scattering experiments to detect these quasiparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Low Mach number fluctuating hydrodynamics model for ionic liquids

We present a new mesoscale model for ionic liquids based on a low Mach number fluctuating hydrodynamics formulation for multicomponent charged species. The low Mach number approach eliminates sound waves from the fully compressible equations leading to a computationally efficient incompressible formulation. The model uses a Gibbs free energy functional that includes enthalpy of mixing, interfacial energy, and electrostatic contributions. These lead to a new fourth-order term in the mass equations and a reversible stress in the momentum equations. We calibrate our model using parameters for [DMPI+][F6P-], an extensively-studied room temperature ionic liquid (RTIL), and numerically demonstrate the formation of mesoscopic structuring at equilibrium in two and three dimensions. In simulations with electrode boundaries the measured double layer capacitance decreases with voltage, in agreement with theoretical predictions and experimental measurements for RTILs. Finally, we present a shear electroosmosis example to demonstrate that the methodology can be used to model electrokinetic flows.

42 ENGINEERING↗
NASA NTRS1972

A study of the energetics of an upper stratospheric warming /1969-1970/.

Results of stratospheric hemispheric synoptic analyses at the 10-, 5-, and 2-mb levels for seven days during an intense warming. Employing these analyses along with the daily objective analyses from 1000-30 mb, some of the major energy transformations for the troposphere and lower and middle stratosphere were computed. It was found that the middle stratospheric warming event was of a direct baroclinic type, forced from below. It was noted that if the warming is to propagate into the lower stratosphere, it is necessary to reverse the normal eddy kinetic to eddy potential energy transfer in that region so that it operates in a direct baroclinic sense.

Miller, A. J.↗
NASA NTRS1995

MQW Optical Feedback Modulators And Phase Shifters

Laser diodes equipped with proposed multiple-quantum-well (MQW) optical feedback modulators prove useful in variety of analog and digital optical-communication applications, including fiber-optic signal-distribution networks and high-speed, low-crosstalk interconnections among super computers or very-high-speed integrated circuits. Development exploits accompanying electro-optical aspect of QCSE - variation in index of refraction with applied electric field. Also exploits sensitivity of laser diodes to optical feedback. Approach is reverse of prior approach.

Jackson, Deborah J.↗
NASA NTRS2023

A Summary of Structural Test and Simulation Results for Hawker 4000 Composite Fuselage Hardware

NASA Langley Research Center (LaRC) was able to obtain a partially fabricated Hawker Beechcraft Model 4000 (Hawker 4000) aft aircraft section to use for study. The Hawker 4000 is a medium sized business jet (14 Code of Federal Regulations Part 25 – Transport Category Aircraft) with seating for 8 to 14 people and fabricated out of carbon composite. The Hawker 4000 was designed in the early 2000s to compete with Gulfstream and Bombardier business jet units. The Hawker Beechcraft business unit declared bankruptcy in 2012, and abruptly halted production of the 4000 series aircraft. As a result, only 73 full production aircraft were built. This all-composite aft fuselage section was an ideal candidate to utilize for investigations of composite structures undergoing dynamic loading in order to satisfy NASA Revolutionary Vertical Lift Technology (RVLT) project objectives. Thus, a team at NASA LaRC embarked on a test and simulation program in late 2021 in order to generate test data of composite structures undergoing dynamic loading conditions. As a part of these investigations, methods including reverse engineering the geometry, conducting as-fabricated materials testing and using non-destructive evaluation (NDE) techniques such as ultrasonic through transmission were utilized in order to develop digital twin finite element models for use in computational simulations.

dynamic composite testing↗
DOE OSTI2022

An indirect approach to optimize the reaction rates of thermal NO formation for diesel engines

With stringent emission regulations, it has become more important for modern diesel engine manufacturers to accurately predict engine-out nitrogen oxide (NO x ) emissions across a wide range of operating conditions. Thermal NO is the major source of engine-out NO x in modern diesel engines. For thermal NO formation, several earlier studies have recommended the forward and reverse reaction rate coefficients of the rate-limiting reaction (O + N 2 ⇌ NO + N). However, due to deficiencies in sub-models and inadequacies of reduced chemical mechanisms to represent diesel combustion, these recommended values more often than not need to be adjusted in reduced order combustion models to accurately predict engine-out NO x . Hence, in this work a systematic and computationally efficient approach has been proposed to streamline the process of determining the optimum reaction rate coefficients. Here, to develop the optimization approach, four different production diesel engines with different operating conditions in terms of speed, load, and exhaust-gas recirculation have been considered. Numerical simulations have been performed using a detailed zero-dimensional velocity-composition-frequency transported probability density function (0D-VCF-tPDF) model that uses hundreds of notional particles to capture in-cylinder stratification. Four different combinations of hydrocarbon and NO x chemical mechanisms were used to represent chemistry. It was found that for the rate-limiting reaction, the pre-exponent factors (A f1 , A r1 ) and activation energies (E A,f1 , E A,r1 ) of the forward and reverse reaction rates follow a linear band in A f1 - E A,f1 and A r1 - E A,r1 space where predicted engine-out NO x match the measured values closely. By encompassing such bands from different engines and considering constraints on activation energies, a reduced search domain of pre-exponent factors and activation energies was constructed that is expected to be applicable to any diesel engine. Eventually, computationally efficient three-line and one-line search approaches were proposed to determine the optimum values of the pre-exponent factors and activation energies that led to a minimum error between measured and predicted engine-out NO x . Finally, these three-line and one-line NO x optimization approaches were applied to a fifth production diesel engine for which the 0D-VCF-tPDF model showed a very good predictive performance in terms of predicting peak pressure, 50% burn rate, and engine-out NO x when compared to measured and 3D-CFD values.

33 ADVANCED PROPULSION SYSTEMS↗