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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A comparative study on the oxidation of two-dimensional Ti 3 C 2 MXene structures in different environments

The oxidation of two-dimensional Ti 3 C 2 MXene structures has been recognized as a promising method for the formation of hybrid structures of carbon supported nanotitania. Here, we studied the oxidation of Ti 3 C 2 MXene structures using reactive force field (ReaxFF) based molecular dynamics simulations. To investigate the effect of oxidizing agent, we used three different environments including dry air (oxygen molecules), wet air (oxygen and water molecules) and hydrogen peroxide (H 2 O 2 molecules). Oxidation simulations were performed at different temperatures of 1000, 1500, 2000, 2500 and 3000 K. We found that by controlling the temperature, carbon supported titania can be formed by diffusion of Ti atoms to the surface of MXene structures during the oxidation. These results were confirmed by the increase in the average bond orders of C–C and Ti–O and decrease in the average bond orders of Ti–C. Moreover, it was revealed that by increasing the temperature, the oxidation rate increases, and the rate depends on the oxidant according to the following order: H 2 O 2 > wet air > dry air. This was validated by heating the MXene in wet air and dry air followed by examining the products using X-ray diffraction and Raman spectroscopy. To investigate the effect of the presence of the oxidant, the MXene structure was also heated under vacuum, and it was found that in this case the MXene structure was converted to cubic TiC. Furthermore, it was indicated that during the heating process of the MXene structure in a vacuum, the average bond orders for C–C, Ti–C and Ti–O do not change significantly due to the lack of oxidants in the environment, leaving room for only topotactic transformation of atoms during the heating. In conclusion, the formation of the TiC structure by heating the MXene in an inert environment was confirmed experimentally as well.

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

R -Nb 2 O 5 has an ‘idealized’ V 2 O 5 structure and Wadsley–Roth-like structural stability during Li-ion battery cycling

The adoption of batteries across diverse applications requires electrode materials with a wider range of performance metrics, such as cost, safety, and material availability. Along the path to discovering new commercially viable materials, a fundamental understanding of chemical and atomic structure features that provide structural stability and effective ion transport is essential. In support of new understanding, we report the cycling behavior of metastable R-Nb 2 O 5 . R-Nb 2 O 5 adopts an ‘idealized’ V 2 O 5 structure, in which [NbO 6 ] octahedra alternate in edge- and corner-sharing resulting in ReO 3 -like slabs, whereas Wadsley–Roth materials have ReO 3 -like blocks, linked through edge-sharing octahedra at intersecting crystallographic shear planes. We find that this slab structure is stable during cycling, with minor atomic structure changes and cycling curves that are symmetric on discharge and charge, resembling the behavior of Wadsley–Roth materials more than other related materials, such as ReO 3 , V 2 O 5 , or Nb 3 O 7 F. Based on our findings, R-Nb 2 O 5 can serve as a ‘structural bridge’ between Wadsley–Roth block structures and V 2 O 5 , through which we can relate inter- and intra-polyhedral structures to cycling behavior and structural stability during cycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structural morphology of zinc oxide structures with antibacterial application of calamine lotion

In this study, we report the structural morphology of a zinc oxide (ZnO) sample and antibacterial application of the ZnO structures in calamine lotion. Antibacterial activities of the calamine lotion towards Staphylococcus aureus and Pseudomonas aeruginosa were investigated. The structural morphology of ZnO sample was studied using a transmission electron microscope (TEM) and a field-emission scanning electron microscope (FESEM). The morphologies of the ZnO structure consisted of many rod and spherical structures. The particle sizes of the sample ranged from 40 nm to 150 nm. A calamine lotion was prepared through mixing the ZnO structures with other constituents in suitable proportion. The energy-dispersive x-ray spectroscopy (EDS) revealed the presence of large amount of ZnO structures whiles the X-ray diffraction (XRD) results showed a good crystalline property of ZnO in the calamine lotion mixture. The morphological structures of ZnO were found to remain unchanged in the calamine lotion mixture through FESEM imaging. In the antibacterial test, prepared calamine lotion exhibited a remarkable bacterial inhibition on Staphylococcus aureus and Pseudomonas aeruginosa after 24 h of treatment. The bactericidal capability of calamine lotion was largely due to the presence of ZnO structures which induce high toxicity and killing effect on the bacteria.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Injection moulding of optical functional micro structures using laser structured, PVD-coated mould inserts

Micro structured optical plastics components are intensively used i. e. in consumer electronics, for optical sensors in metrology, innovative LED-lighting or laser technology. Injection moulding has proven to be successful for the large-scale production of those parts. However, the production of those parts still causes difficulties due to challenges in the moulding and demoulding of plastics parts created with laser structured mould inserts. A complete moulding of the structures often leads to increased demoulding forces, which then cause a breaking of the structures and a clogging of the mould. An innovative approach is to combine PVD-coated (physical vapour deposition), laser structured inserts and a variothermal moulding process to create functional mic8iüro structures in a one-step process. Therefore, a PVD-coating is applied after the laser structuring process in order to improve the wear resistance and the anti-adhesive properties against the plastics melt. In a series of moulding trials with polycarbonate (PC) and polymethylmethacrylate (PMMA) using different coated moulds, the mould temperature during injection was varied in the range of the glass transition and the melt temperature of the polymers. Subsequently, the surface topography of the moulded parts is evaluated by digital 3D laser-scanning microscopy. The influence of the moulding parameters and the coating of the mould insert on the moulding accuracy and the demoulding behaviour are being analysed. It is shown that micro structures created by ultra-short pulse laser ablation can be successfully replicated in a variothermal moulding process. Due to the mould coating, significant improvements could be achieved in producing micro structured optical plastics components.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electronically- and crystal-structure-driven magnetic structures and physical properties of RScSb (R = rare earth) compounds. A neutron diffraction, magnetization and heat capacity study

The synthesis of the new equiatomic RScSb ( R = La-Nd, Sm, Gd-Tm, Lu, Y) compounds has been recently reported. These rare earth compounds crystallize in two different crystal structures, adopting the CeScSi-type ( I 4/ mmm) for the lighter R (La-Nd, Sm) and the CeFeSi-type (P4 /nmm) structure for the heavier R ( R = Gd-Tm, Lu, Y). Here we report the results of neutron diffraction, magnetization and heat capacity measurements on some of these compounds ( R = Ce, Pr, Nd, Gd and Tb). Band structure calculations have also been performed on CeScSb and GdScGe (CeScSi-type), and on GdScSb and TbScSb (CeFeSi-type) to compare and understand the exchange interactions in CeScSi and CeFeSi structure types. The neutron diffraction investigation shows that all five compounds order magnetically, with the highest transition temperature of 66 K in TbScSb and the lowest of about 9 K in CeScSb. The magnetic ground state is simple ferromagnetic (τ = [0 0 0]) in CeScSb, as well in NdScSb for 32 >T > 22 K. Below 22 K a second magnetic transition, with propagation vector τ = [¼ ¼ 0], appears in NdScSb. PrScSb has a magnetic structure within, determined by mostly ferromagnetic interactions and antiferromagnetic alignment of the Pr-sites connected through the I-centering ( τ = [1 0 0]). A cycloidal spiral structure with a temperature dependent propagation vector τ = [δ δ ½] is found in TbScSb. The results of magnetization and heat capacity lend support to the main conclusions derived from neutron diffraction. As inferred from a sharp peak in magnetization, GdScSb orders antiferromagnetically at 56 K. First principles calculations show lateral shift of spin split bands towards lower energy from the Fermi level as the CeScSi-type structure changes to the CeFeSi-type structure. This rigid shift may force the system to transform from exchange split ferromagnetic state to the antiferromagnetic state in RScSb compounds (as seen for example in GdScSb and TbScSb) and is proposed to explain the change-over from a ferromagnetic structure as found in the CeScSi-type compounds CeScSb and NdScSb to the antiferromagnetic state as found in TbScSb and GdScSb.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding

Cobalamin riboswitches encompass a structurally diverse group of cis-acting, gene regulatory elements found mostly in bacterial messenger RNA and are classified into subtypes based on secondary and tertiary characteristics. An unusual variant of the cobalamin riboswitch with predicted structural features was identified in Bacillus subtilis over a decade ago, but its structure and mechanisms of cobalamin selectivity and translational control have remained unsolved. We present the crystal structure of the aptamer domain of this atypical cobalamin riboswitch and a model for the complete riboswitch, including its expression platform domain. We demonstrate that this riboswitch binds to multiple cobalamin derivatives and correlate its promiscuous behavior to its structure and unique arrangement of peripheral elements. Comparative structural analyses between conventional cobalamin riboswitches and the B. subtilis cobalamin riboswitch reveal that the likely basis for this promiscuous ligand binding is intrinsic structural adaptability encoded in the RNA structure. It suggests that cobalamin selectivity might ultimately be viewed as existing on a spectrum of affinity for each derivative rather than as belonging to distinct types based on ligand specificities. Our work provides an interesting and notable example of functional coupling of ligand-sensing and adaptive folding by a structured RNA molecule.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1976

User's guide to computer program CIVM-JET 4B to calculate the transient structural responses of partial and/or complete structural rings to engine-rotor-fragment impact

A user-oriented computer program CIVM-JET 4B is described to predict the large-deflection elastic-plastic structural responses of fragment impacted single-layer: (a) partial-ring fragment containment or deflector structure or (b) complete-ring fragment containment structure. These two types of structures may be either free or supported in various ways. Supports accommodated include: (1) point supports such as pinned-fixed, ideally-clamped, or supported by a structural branch simulating mounting-bracket structure and (2) elastic foundation support distributed over selected regions of the structure. The initial geometry of each partial or complete ring may be circular or arbitrarily curved; uniform or variable thicknesses of the structure are accommodated. The structural material is assumed to be initially isotropic; strain hardening and strain rate effects are taken into account.

Stagliano, T. R.↗
NASA NTRS1991

Recent results on structural control of an active precision structure

This paper describes recent results in structural control of an active precision truss structure at JPL. The goal is to develop practical control methodology and to apply to active truss structures intended for high precision space-based optics applications. The active structure considered incorporates piezoelectric active members which apply control forces internal to the structure and thereby improve the structure's dimensional stability. Two approaches to structural control system design were investigated. The first approach uses only noncollocated measurements of acceleration at the location of a simulated optical component to achieve structural stabilization. The second approach is essentially the same as the first one except that a viscous damper was used in place of a truss member on the structure to improve the dampings of selected flexible modes. The corresponding experimental closed-loop results are presented in this paper.

Chu, C. C.↗
NASA NTRS1992

Vibration attenuation of the NASA Langley evolutionary structure experiment using H(sub infinity) and structured singular value (micron) robust multivariable control techniques

The use is studied of active control to attenuate structural vibrations of the NASA Langley Phase Zero Evolutionary Structure due to external disturbance excitations. H sub infinity and structured singular value (mu) based control techniques are used to analyze and synthesize control laws for the NASA Langley Controls Structures Interaction (CSI) Evolutionary Model (CEM). The CEM structure experiment provides an excellent test bed to address control design issues for large space structures. Specifically, control design for structures with numerous lightly damped, coupled flexible modes, collocated and noncollocated sensors and actuators and stringent performance specifications. The performance objectives are to attenuate the vibration of the structure due to external disturbances, and minimize the actuator control force. The control design problem formulation for the CEM Structure uses a mathematical model developed with finite element techniques. A reduced order state space model for the control design is formulated from the finite element model. It is noted that there are significant variations between the design model and the experimentally derived transfer function data.

Balas, Gary J.↗
NASA NTRS2005

Effects of Piezoelectric (PZT) Sensor Bonding and the Characteristics of the Host Structure on Impedance Based Structural Health Monitoring

This study was conducted to investigate the effects of certain factors on the impedance signal in structural health monitoring. These factors were: the quality of the bond between the sensor and the host structure, and the characteristics of the host structure, such as geometry, mass, and material properties. This work was carried out to answer a set of questions, related to these factors, that were developed by the project team. The project team was comprised of Dr. Doug Ramers and Dr. Abdul Jalloh of the Summer Faculty Fellowship Program, Mr. Arnaldo Colon- Perez, a student intern from the University of Puerto Rico of Turabo, and Mr. John Lassiter and Mr. Bob Engberg of the Structural and Dynamics Test Group at NASA Marshall Space Flight Center (MSFC). This study was based on a review of the literature on structural health monitoring to investigate the factors referred to above because there was not enough time to plan and conduct the appropriate tests at MSFC during the tenure of the Summer Faculty Fellowship Program project members. The surveyed literature documents works on structural health monitoring that were based on laboratory tests that were conducted using bolted trusses and other civil engineering type structures for the most part. These are not the typical types of structures used in designing and building NASA s space vehicles and systems. It was therefore recommended that tests be conducted using NASA type structures, such as pressure vessels, to validate the observations made in this report.

Jalloh, Abdul↗
NASA NTRS2014

Elastomeric Structural Attachment Concepts for Aircraft Flap Noise Reduction - Challenges and Approaches to Hyperelastic Structural Modeling and Analysis

Airframe noise is a significant part of the overall noise of transport aircraft during the approach and landing phases of flight. Airframe noise reduction is currently emphasized under the Environmentally Responsible Aviation (ERA) and Fixed Wing (FW) Project goals of NASA. A promising concept for trailing-edge-flap noise reduction is a flexible structural element or link that connects the side edges of the deployable flap to the adjacent main-wing structure. The proposed solution is distinguished by minimization of the span-wise extent of the structural link, thereby minimizing the aerodynamic load on the link structure at the expense of increased deformation requirement. Development of such a flexible structural link necessitated application of hyperelastic materials, atypical structural configurations and novel interface hardware. The resulting highly-deformable structural concept was termed the FLEXible Side Edge Link (FLEXSEL) concept. Prediction of atypical elastomeric deformation responses from detailed structural analysis was essential for evaluating feasible concepts that met the design constraints. The focus of this paper is to describe the many challenges encountered with hyperelastic finite element modeling and the nonlinear structural analysis of evolving FLEXSEL concepts. Detailed herein is the nonlinear analysis of FLEXSEL concepts that emerged during the project which include solid-section, foamcore, hollow, extended-span and pre-stressed concepts. Coupon-level analysis performed on elastomeric interface joints, which form a part of the FLEXSEL topology development, are also presented.

Sreekantamurthy, Thammaiah↗
NASA NTRS2018

Structural Certification of Human-Rated Inflatable Space Structures

This paper details the results of an initial study to develop a certification plan for human-rated inflatable space structures, including guidelines for qualification testing. Habitable softgoods inflatables are multi-layered shell structures that use high-strength webbing, cordage and broadcloth fabric to carry the skin loads of a variety of volumetric shapes and structural architectures. The primary objectives of this study are to define the key parameters that affect these structures and propose a statistically robust approach to defining safety and knockdown factors based on test and analysis. Current NASA standards for habitable inflatable space structures use a factor of safety of 4, which was inherited from airship design criteria. An updated approach to defining a design factor, taking into account material strength variability, load variability in the article, number of test samples, and damage and degradation effects is specified. Accurate analytical modeling of these structures is hindered by the difficulty of obtaining accurate and consistent material data due to load-history- dependent, nonlinear load versus strain behavior. A building block approach to certification is detailed that uses stochastic modeling and statistical test design and analysis to address the unique challenges these high-strength softgoods structures present. Human-rated inflatable modules are a transformative capability for launching much larger habitable volumes into space than is possible with rigid shell structures. This research aims to provide the framework for certifying these structures for future human space exploration missions.

Jones, Thomas C.↗
NASA NTRS2019

Aircraft Conceptual Structural Design Using the AMMIT Structural Analysis Tool

Aircraft conceptual structural design is the process of developing and refining an idea for an aircraft into a feasible structural design. The process typically involves multiple evaluations of a single configuration and can require designers to examine thousands of concepts. Standard approaches to conducting structural analyses in this phase are either based on the use of historical or empirical data or often require significant expertise in structural analysis to perform these rapid assessments. The AMMIT structural analysis tool includes structural line models and handbook methods wrapped in a simple to use interface that can enable rapid, physics-based structural designs without requiring extensive structural expertise. The objectives of the present paper are to introduce AMMIT, describe the methods used in AMMIT, and present the results of the validation effort. Validation of the AMMIT methodology was performed on nine aircraft to determine the accuracy of the methods, highlight features of AMMIT, and guide future development of the methodology. Results of the validation effort indicated that AMMIT provides a prediction of primary structural weight for each aircraft with an acceptable level of error during the preliminary design phase with a minimal expenditure of computational resources.

Horvath, Bryce L.↗
DOE OSTI2020

Click-chemistry compatible structures, click-chemistry functionalized structures, and materials and methods for making the same

According to various embodiments, systems, methods, and computer program products for click-chemistry compatible structures, additive manufacturing resins for forming the same, and method of formation of such structures and resins, as well as techniques for functionalizing click-chemistry compatible structures are disclosed. The inventive structures generally include a plurality of photo polymerized molecules structurally arranged according to a three-dimensional pattern, while surfaces of the structure are functionalized with one or more click-chemistry compatible molecules each having one or more click-chemistry compatible functional groups. The structures may be formed from single- or dual-component resins, each having unique synthetic pathways. The resulting structures may be functionalized for utility in a wide range of applications by leveraging click chemistry to further functionalize the structure with organic additives also compatible with click-chemistry reaction schemes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structures of single-layer {beta}-sheet proteins evolved from {beta}-hairpin repeats

Free-standing single-layer beta-sheets are extremely rare in naturally occurring proteins, even though beta-sheet motifs are ubiquitous. Here we report the crystal structures of three homologous, single-layer, anti-parallel beta-sheet proteins, comprised of three or four twisted beta-hairpin repeats. The structures reveal that, in addition to the hydrogen bond network characteristic of beta-sheets, additional hydrophobic interactions mediated by small clusters of residues adjacent to the turns likely play a significant role in the structural stability and compensate for the lack of a compact hydrophobic core. These structures enabled identification of a family of secreted proteins that are broadly distributed in bacteria from the human gut microbiome and are putatively involved in the metabolism of complex carbohydrates. A conserved surface patch, rich in solvent-exposed tyrosine residues, was identified on the concave surface of the beta-sheet. These new modular single-layer beta-sheet proteins may serve as a new model system for studying folding and design of beta-rich proteins.

beta-hairpin repeats↗
DOE OSTI2022

Electron Tomography and Machine Learning for Understanding the Highly Ordered Structure of Leafhopper Brochosomes

Insects known as leafhoppers (Hemiptera: Cicadellidae) produce hierarchically structured nanoparticles known as brochosomes that are exuded and applied to the insect cuticle, thereby providing camouflage and anti-wetting properties to aid insect survival. Although the physical properties of brochosomes are thought to depend on the leafhopper species, the structure–function relationships governing brochosome behavior are not fully understood. Brochosomes have complex hierarchical structures and morphological heterogeneity across species, due to which a multimodal characterization approach is required to effectively elucidate their nanoscale structure and properties. In this work, we study the structural and mechanical properties of brochosomes using a combination of atomic force microscopy (AFM), electron microscopy (EM), electron tomography, and machine learning (ML)-based quantification of large and complex scanning electron microscopy (SEM) image data sets. This suite of techniques allows for the characterization of internal and external brochosome structures, and ML-based image analysis methods of large data sets reveal correlations in the structure across several leafhopper species. Our results show that brochosomes are relatively rigid hollow spheres with characteristic dimensions and morphologies that depend on leafhopper species. Nanomechanical mapping AFM is used to determine a characteristic compression modulus for brochosomes on the order of 1–3 GPa, which is consistent with crystalline proteins. Altogether, this work provides an improved understanding of the structural and mechanical properties of leafhopper brochosomes using a new set of ML-based image classification tools that can be broadly applied to nanostructured biological materials.

Chemical structure↗
DOE OSTI2016

Direct Measurement of the Tunable Electronic Structure of Bilayer MoS 2 by Interlayer Twist

Using angle-resolved photoemission on micrometer-scale sample areas, we directly measure the interlayer twist angle-dependent electronic band structure of bilayer molybdenum-disulfide (MoS 2 ). Our measurements, performed on arbitrarily stacked bilayer MoS 2 flakes prepared by chemical vapor deposition, provide direct evidence for a downshift of the quasiparticle energy of the valence band at the Brillouin zone center ($\bar{Γ}$ point) with the interlayer twist angle, up to a maximum of 120 meV at a twist angle of ~40°. Our direct measurements of the valence band structure enable the extraction of the hole effective mass as a function of the interlayer twist angle. While our results at $\bar{Γ}$agree with recently published photoluminescence data, our measurements of the quasiparticle spectrum over the full 2D Brillouin zone reveal a richer and more complicated change in the electronic structure than previously theoretically predicted. The electronic structure measurements reported here, including the evolution of the effective mass with twist-angle, provide new insight into the physics of twisted transition-metal dichalcogenide bilayers and serve as a guide for the practical design of MoS 2 optoelectronic and spin-/valley-tronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Quantum Yield Heterogeneity among Single Nonblinking Quantum Dots Revealed by Atomic Structure-Quantum Optics Correlation

Physical variations in colloidal nanostructures give rise to heterogeneity in expressed optical behavior. This correlation between nanoscale structure and function demands interrogation of both atomic structure and photophysics at the level of single nanostructures to be fully understood. In this paper, by conducting detailed analyses of fine atomic structure, chemical composition, and time-resolved single-photon photoluminescence data for the same individual nanocrystals, we reveal inhomogeneity in the quantum yields of single nonblinking “giant” CdSe/CdS core/shell quantum dots (g-QDs). We find that each g-QD possesses distinctive single exciton and biexciton quantum yields that result mainly from variations in the degree of charging, rather than from volume or structure inhomogeneity. We further establish that there is a very limited nonemissive “dark” fraction (<2%) among the studied g-QDs and present direct evidence that the g-QD core must lack inorganic passivation for the g-QD to be “dark”. Finally and therefore, in contrast to conventional QDs, ensemble photoluminescence quantum yield is principally defined by charging processes rather than the existence of dark g-QDs.

36 MATERIALS SCIENCE↗