Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “protective structures”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mixed lipid bilayers enable enhanced stability and activity retention of Lipase A in low-pH environments

Lipase A (LipA) from Bacillus subtilis is a versatile and industrially relevant enzyme, but its activity is compromised under acidic conditions due to aggregation and deactivation. In this study, we investigated the use of mixed lipid bilayers to stabilize and improve activity retention of LipA at low pH. Attachment to lipid bilayers, particularly those containing cationic lipids, greatly enhanced the long-term stability of LipA in acidic conditions while also leading to improvements in activity. Tethering to cationic bilayers not only shifted the apparent pH activity profile toward more acidic conditions, but also significantly enhanced activity retention upon incubation at pH 6. Notably, this protective effect persisted even without direct tethering, indicating that reversible, non-covalent interactions with the bilayer surface are sufficient for long-term stability. Circular dichroism further revealed that the secondary structure of LipA was retained, while dynamic light scattering suggested that activity loss in solution was primarily due to aggregation of the native state. Together, these findings support a model in which lipid bilayers mitigate aggregation and stabilize LipA through transient interactions and electrostatic modulation of the local surface environment. Furthermore, this approach exemplifies a simple, tether-free strategy for enhancing enzyme performance in acidic or destabilizing conditions, with implications for biocatalysis, biosensing, and therapeutic delivery.

Biocatalysis↗
DOE OSTI2022

Realizing symmetry-guaranteed pairs of bound states in the continuum in metasurfaces

Abstract Bound states in the continuum (BICs) have received significant attention for their ability to enhance light-matter interactions across a wide range of systems, including lasers, sensors, and frequency mixers. However, many applications require degenerate or nearly degenerate high-quality factor ( Q ) modes, such as spontaneous parametric down conversion, non-linear four-wave mixing, and intra-cavity difference frequency mixing for terahertz generation. Previously, degenerate pairs of bound states in the continuum (BICs) have been created by fine-tuning the structure to engineer the degeneracy, yielding BICs that respond unpredictably to structure imperfections and material variations. Instead, using a group theoretic approach, we present a design paradigm based on six-fold rotational symmetry ( C 6 ) for creating degenerate pairs of symmetry-protected BICs, whose frequency splitting and Q -factors can be independently and predictably controlled, yielding a complete design phase space. Using a combination of resonator and lattice deformations in silicon metasurfaces, we experimentally demonstrate the ability to tune mode spacing from 2 nm to 110 nm while simultaneously controlling Q -factor.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

A co-opted steroid synthesis gene, maintained in sorghum but not maize, is associated with a divergence in leaf wax chemistry

Significance Virtually all above-ground plant surfaces, such as leaf and stem exteriors, are covered in a cuticle: a wax-infused polyester. This waxy biocomposite is the largest interface between Earth’s biosphere and atmosphere. Its chemical composition is not only highly tuned to mediate nonstomatal water loss, but it also self-assembles to produce superhydrophobic surfaces, protects against UV radiation, and contains bioactive compounds that help resist microbial attack. Developing fundamental knowledge of waxy biocomposites, particularly those on crop species, is a prerequisite for an understanding of their structure–function relationships. Here, we uncover a likely genetic basis for the presence and absence, respectively, of triterpenoids in the leaf waxes of sorghum and maize—compounds previously associated with creating heat-tolerant cuticular water barriers.

09 BIOMASS FUELS↗
DOE OSTI2022

Identifying Hidden Li–Si–O Phases for Lithium‐Ion Batteries via First‐Principle Thermodynamic Calculations

SiO–based materials are promising alloys and conversion‐type anode materials for lithium‐ion batteries and are recently found to be excellent dendrite‐proof layers for lithium‐metal batteries. However, only a small fraction of the Li–Si–O compositional space has been reported, significantly impeding the understanding of the phase transition mechanisms and the rational design of these materials both as anodes and as protection layers for lithium‐metal anodes. Herein, we identify three new thermodynamically stable phases within the Li–Si–O ternary system (Li 2 SiO 5 , Li 4 SiO 6, and Li 4 SiO 8 ) in addition to the existing records via first‐principle calculations. The electronic structure simulation shows that Li 2 SiO 5 and Li 4 SiO 8 phases are metallic in nature, ensuring high electronic conductivity required as electrodes. Moduli calculations demonstrate that the mechanical strength of Li–Si–O phases is much higher than that of lithium metal. The diffusion barriers of interstitial Li range from 0.1 to 0.6 eV and the interstitial Li hopping serves as the dominating diffusion mechanism in the Li–Si–O ternary systems compared with vacancy diffusion. These findings provide a new strategy for future discovery of improved alloying anodes for lithium‐ion batteries and offer important insight towards the understanding of the phase transformation mechanism of alloy‐type protection layers on lithium‐metal anodes.

Qu, Jiale↗
DOE OSTI2021

Templated Mesoporous Silica Outer Shell for Controlled Silver Release of a Magnetically Recoverable and Reusable Nanocomposite for Water Disinfection

Here, we encapsulated Fe 3 O 4 @SiO 2 @Ag (MS-Ag), a bifunctional magnetic silver core–shell structure, with an outer mesoporous silica (mS) shell to form an Fe 3 O 4 @SiO 2 @ 2 Ag@mSiO 2 (MS-Ag-mS) nanocomposite using a cationic CTAB (cetyltrimethylammonium bromide) micelle templating strategy. The mS shell acts as protection to slow down the oxidation and detachment of the AgNPs and incorporates channels to control the release of antimicrobial Ag + ions. Results of TEM, STEM, HRSEM, EDS, BET, and FTIR showed the successful formation of the mS shells on MS-Ag aggregates 50–400 nm in size with highly uniform pores ~4 nm in diameter that were separated by silica walls ~2 nm thick. Additionally, the mS shell thickness was tuned to demonstrate controlled Ag + release; an increase in shell thickness resulted in an increased path length required for Ag + ions to travel out of the shell, reducing MS-Ag-mS’ ability to inhibit E. coli growth as illustrated by the inhibition zone results. Through a shaking test, the MS-Ag-mS nanocomposite was shown to eradicate 99.99+% of a suspension of E. coli at 1 × 10 6 CFU/mL with a silver release of less than 0.1 ppb, well under the EPA recommendation of 0.1 ppm. This high biocidal efficiency with minimal silver leach is ascribed to the nanocomposite’s mS shell surface characteristics, including having hydroxyl groups and possessing a high degree of structural periodicity at the nanoscale or “smoothness” that encourages association with bacteria and retains high Ag + concentration on its surface and in its close proximity. Furthermore, the nanocomposite demonstrated consistent antimicrobial performance and silver release levels over multiple repeated uses (after being recovered magnetically because of the oxidation-resistant silica-coated magnetic Fe 3 O 4 core). It also proved effective at killing all microbes from Long Island Sound surface water. The described MS-Ag-mS nanocomposite is highly synergistic, easy to prepare, and readily recoverable and reusable and offers structural tunability affecting the bioavailability of Ag + , making it excellent for water disinfection that will find wide applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Heterogeneous Supramolecular Catalysis through Immobilization of Anionic M 4 L 6 Assemblies on Cationic Polymers

Although most of the currently developed supramolecular catalysts that emulate enzymatic reactivity with unique selectivity and activity through specific host-guest interactions work under homogeneous conditions, enzymes in nature can operate under heterogeneous conditions as membrane-bound enzymes. In order to develop such a heterogeneous system, an immobilized chiral supramolecular cluster Ga 4 1 6 ( 2 ) was introduced into cross-linked polymers with cationic functionalities. These heterogeneous supramolecular catalysts were used in aza-Prins and aza-Cope reactions and successfully applied to continuous-flow reactions. Additionally, they showed high durability and maintained high turnovers for long periods of time. In sharp contrast to the majority of examples of heterogenized homogeneous catalysts, the newly developed catalysts showed enhanced activity and robustness compared to those exhibited by the corresponding soluble cluster catalyst. An enantioenriched cluster was also immobilized to enable asymmetric catalysis, and activity and enantioselectivity of the supported chiral catalyst were maintained during recovery and reuse experiments and under a continuous-flow process. Significantly, the structure of the ammonium cations in the polymers affected stability, reactivity, and enantioselectivity, which is consistent with the hypothesis that the cationic moieties in the polymer support interact with cluster as an exohedral protecting shell, thereby influencing their catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electron passivation in CaF 2 on calcium metal anodes

Current electrolytes in calcium-ion batteries suffer from a lack of stability and degradation caused by reduction from the anode. The solid-electrolyte interphase (SEI) that forms on the anodes during operation stems the flow of electrons from the anode to the electrolyte. CaF 2 is a common inorganic compound found in the SEI, and is derived from electrolyte salts such as Ca(PF 6 ) 2 . CaF 2 can exist in crystalline, polycrystalline, and amorphous phases in the SEI, and as recent work has shown, different phases of the same compound can have vastly different electronic conductivities. Using the non-equilibrium Green's function technique with density functional theory (NEGF-DFT), we find that amorphous phase systems enhance electron tunneling in thin CaF 2 films by 1–2 orders of magnitude when compared to crystalline and polycrystalline CaF 2 systems. Transport through several amorphous structures was considered showing that, despite their random structures, their conductance properties are similar. Finally, through analysis of the decay constant β and the low-bias conductance of each system, we show that crystalline and polycrystalline CaF 2 offer greater protection of the electrolyte than amorphous CaF 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Chiral Topological Surface States on a Finite Square Photonic Crystal Bounded by Air

Chiral, topologically protected, photonic surface states can be found at the boundary between gyrotropic photonic crystals where a changing magnetic field induces different topology across the interface. Typically, photonic crystals with either a suitable band structure on both sides of the interface to provide a band gap and evanescent decay of the surface states away from the interface, or an outer layer with engineered material properties is required. In this paper, we show the emergence of topological, unidirectional surface states at the termination of finite gyrotropic photonic crystals with a simple square lattice and C 4 rotational symmetry bounded by a vacuum, eliminating the need for an outside layer to enable chiral surface modes. Here, we start from an infinite, time-reversal-symmetry-breaking photonic crystal with a band gap associated with bands with nonzero Chern numbers, different from all-zero Chern numbers in air. We then modify the photonic crystal to move this band gap below the light line, while maintaining the Chern-number discontinuities. Band-structure calculations for a supercell approximating a photonic crystal finite in the direction normal to the surface demonstrate the existence, dispersion, and chirality of the surface mode. Extensive direct scattering calculations for a point source and spatial Fourier analysis further reveal a unidirectional free-space topological surface state, which propagates counterclockwise around the surface of a finite photonic crystal, providing a nearly foolproof way to cross-check the surface-mode band structure unaffected by backscattering from local defects. Additionally, scattering simulations allow an independent characterization of the state dispersion and unveil the robustness of the topological plasmonic mode propagation around the 90° bends of the structure, being due to only radiation leakage. In contrast to buried topological surface states, the observed surface modes at the photonic crystal–air interface have the advantage of being accessible to the outside world, allowing one to take advantage of the defect-tolerant backscattering-free surface modes to engineer emission from photonic crystal surfaces into arbitrary free-space beam shapes and directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A room temperature polar magnetic metal

The emergence of long-range magnetic order in noncentrosymmetric compounds has stimulated interest in the possibility of exotic spin transport phenomena and topologically protected spin textures for applications in next-generation spintronics. Polar magnets, with broken symmetries of spatial inversion and time reversal, usually host chiral spin textures. This work reports on a wurtzite-structure polar magnetic metal, identified as AA'-stacked (Fe 0.5 Co 0.5 ) 5 GeTe 2 , which exhibits a Néel-type skyrmion lattice as well as a Rashba-Edelstein effect at room temperature. Atomic resolution imaging of the structure reveals a structural transition as a function of Co-substitution, leading to the emergence of the polar phase at 50% Co. We report this discovery reveals an unprecedented layered polar magnetic system for investigating intriguing spin topologies, and it ushers in a promising new framework for spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crystal structure of [Th 3 (Cp*) 3 (O)(OH) 3 ] 2 Cl 2 (N 3 ) 6 : a discrete molecular capsule built from multinuclear organothorium cluster cations

An unusually large and structurally complex charge-neutral polynuclear cluster, hexa-μ 2 -azido-di-μ 3 -chlorido-hexa-μ 2 -hydroxido-di-μ 3 -oxido-hexakis(pentamethylcyclopentadienyl)hexathorium–diethyl ether–tetrahydrofuran (1/0.56/1.44), [Th 3 (C 10 H 15 ) 6 Cl 3 (N 3 ) 6 (OH) 6 O 2 ]·0.56C 4 H 10 O·1.44C 4 H 8 O or [Th 3 (Cp*) 3 (O)(OH) 3 ] 2 Cl 2 (N 3 ) 6 ·0.56C 4 H 10 O·1.44C 4 H 8 O (Cp* = [pentamethylcyclopentadienyl]) − , has been crystallized as a mixed tetrahydrofuran/diethyl ether solvate and structurally characterized. The molecule contains a number of unusual features, the most notable being a finite yet exceptionally long cyclic metal-azido chain. These rare features are the consequence of both sterically protecting Cp* ligands and highly bridging oxide and hydroxide ligands in the same system and illustrate the interesting new possibilities that can arise from combining organometallic and solvothermal f -block element chemistry.

Kelley, Steven P.↗
DOE OSTI2024

FRMAC Laboratory Analysis Manual Volume 1, Revision 0

This manual is written for personnel who respond to a nuclear/radiological incident and will be called upon to provide support to ensure that samples receive appropriate laboratory analyses. Overall, this manual provides general guidance and some specific diagrams and forms. However, it is understood that site- and incident-specific operational decisions and procedures may need to be modified at the time of the incident. This manual is intended to provide guidance for laboratory analysis personnel without limiting FRMAC’s ability to integrate the work with other partners and stakeholders. Some of the titles of management positions with the FRMAC have been changed in order to comply with the structure of the Incident Command System (ICS) under the National Incident Management System (NIMS).

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Evolution of eggshell structure in relation to nesting ecology in non-avian reptiles

Amniotic eggs are multifunctional structures that enabled early tetrapods to colonize the land millions of years ago, and are now the reproductive mode of over 70% of all terrestrial amniotes. Eggshell morphology is at the core of animal survival, mediating the interactions between embryos and their environment, and has evolved into a massive diversity of forms and functions in modern reptiles. These functions are critical to embryonic survival and may serve as models for new antimicrobial and/or breathable membranes. However, we still lack critical data on the basic structural and functional properties of eggs, particularly of reptiles. Here, we first characterized egg shape, shell thickness, porosity, and mineralization of eggs from 91 reptile species using optical images, scanning electron microscopy, and micro computed tomography, and collected data on nesting ecology from the literature. We then used comparative analyses to test hypotheses on the selective pressures driving their evolution. We hypothesized that eggshell morphology has evolved to protect shells from physical damage and desiccation, and, in support, found a positive relationship between thickness and precipitation, and a negative relationship between porosity and temperature. Although mineralization varied extensively, it was not correlated with nesting ecology variables. Ancestral state reconstructions show thinning and increased porosity over evolutionary time in squamates, but the opposite in turtles and crocodilians. Egg shape, size, porosity and calcification were correlated, suggesting potential structural or developmental tradeoffs. This study provides new data and insights into the morphology and evolution of reptile eggs, and raises numerous questions for additional research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Leaf-to-canopy spectral reflectance, February 2018, PA-SLZ: Panama

Canopy reflectance spectra of 37 trees were measured at the Smithsonian Tropical Research Institute (STRI) San Lorenzo Protected Area site (PA-SLZ), utilising the canopy access crane to access fully sunlit leaves. Data were recorded in the middle of the day, with 20–50 measurements for each tree. The canopy structure for each crown was captured using a digital camera. Leaf-level reflectance and leaf demographic composition (age class) was recorded in detail for a > 0.5 meter branch sampled from each canopy tree (corresponding to the position where canopy spectra were measured). This dataset includes processed canopy and leaf-level spectral measurements (*.xlsx), raw spectral data (Spectral Evolution PSR+, *.raw, *.sed), sample details (*.xlsx) and *.pdf summaries containing low resolution photographs of the measured canopies. Full resolution images are available in the related dataset, "Leaf-to-canopy spectral reflectance photographs, February 2018, PA-SLZ: Panama".

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

National Renewable Energy Laboratory Wildland Fire Management Plan (August 2022-August 2025): February-August 2022

The National Renewable Energy Laboratory (NREL) is located in a moderate wildfire risk region. The region has a history of damaging wildland fire activity and is also susceptible to changing environmental conditions (drought, elevated temperatures) that may lead to an increase in wildfire frequency and consequence over time. An integrated, site-wide wildland fire management plan is required by the Department of Energy and is to be consistent with the Federal Wildland Fire Management Policy. The NREL Wildland Fire Management Plan (WFMP) provides an integrated approach to reducing risk to wildland fire at NREL. The goals of the WFMP are to protect human health and safety, protect NREL facilities and research, enhance community protection, diminish risk and consequences of wildland fires, and maintain the health of the ecosystem. The WFMP accomplishes these goals through the use of tools such as fire behavior modeling, fire growth modeling, a structure ignition risk assessment, and through the application of robust fire prevention, emergency management, and environmental programs. The NREL WFMP was developed in a collaborative manner with input from regional stakeholders including cities, counties, local fire departments, and other governmental agencies. The WFMP provides for recommendations to reduce overall wildland fire risk to life safety and property at NREL.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Mapping SIEM Vulnerabilities in STIG

SIEM (Security Information and Event Management) tools monitor network traffic and allow users to quickly detect problems in their networks. Because of the valuable information processed by SIEM tools, it is important to understand their vulnerabilities. STIG (Structured Threat Intelligence Graph) is an application created at INL used to visualize data related to cyber threats. Using STIG can allow users to understand vulnerabilities related to their SIEM products and how to protect their systems.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

X-ray Inspection Model Validation with Physical Dosimetry

A non-functional printed circuit board assembly was developed using ULTIboard and a simple computational transport model was created for use with the Monte Carlo software MCNP. EBT 3 film radiography was used to compare with Monte Carlo simulation to validate the board representation. The computational transport model was then revised to include connection pins, solder balls, highly attenuating internal structures, and copper trace distribution. Results from the revised model were compared to the EBT 3 films to observe improvements to dose profiles. It was found that this method was useful in verifying the placement of components, as the dose profiles were observed to follow the same trends. The experiment was then repeated using XRQA 2 films to achieve the same level of contrast with 1% the dose of EBT 3 films. It was found that high contrast may be achieved using these films to identify major issues with the model geometry, at a cost of dose profile accuracy. A second validation method was applied to the model using 37 CaF 2 thermoluminescent dosimeters (TLDs). TLD measurements were compared with the simplified and complex transport models to identify the features that have the greatest impact on simulation accuracy. The TLD calibration to CaF 2 was found to be accurate within 5.6%, while calibration to dose in Si was found to be accurate within 4.7%. Finally, it was observed that the accurate representation of solder balls and proper modeling of highly attenuating internal structures had the greatest impact on simulation accuracy.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Constructing synthetic organosulfur additive for high voltage lithium-ion batteries

Despite its high anodic stability, common organosulfur solvents such as ethyl methyl sulfone and sulfolane typically exhibit poor solid-electrolyte interphase (SEI) formation capability. Here, to address this, the fluorinated organic sulfate 4-(trifluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide (TFDTD) was developed as an effective additive for tailoring organosulfur-based electrolytes in lithium-ion batteries. This development was guided by the functionality selection principle and careful evaluation of feasibility in organic synthesis. TFDTD can be readily synthesized through the reaction between trifluoropropylene glycol and sulfuryl chloride. The ring structure of the organic sulfate enables the formation of a stable SEI on the anode, while the fluorination of the sulfate not only enhances its chemical stability and oxidation potential, but also its effectiveness to protect the anode by increasing its reduction potential, rendering it preferentially reduced on the anode surface before the decomposition of other electrolyte components. Introducing TFDTD facilitates the generation of a robust solidelectrolyte interphase on the graphite anode, significantly enhancing cell performance. Moreover, coupling the use of TFDTD with vinylene carbonate provides further protection on the cathode surface, enabling exceptionally stable, high-voltage, long-term cycling of Gr||NMC full cells.

Functionality selection principle↗
DOE OSTI2023

Effects of Ball Milling on the Electrochemical Capacity and Interfacial Stability of Li 2 MnO 3 Cathode Materials

The cycling mechanism of Li 2 MnO 3 cathode materials synthesized by conventional solid-state methods at high temperatures (800-900 °C) has been intensively investigated. Previous studies showed that CO 2 and O 2 gas evolution accounts for most of the charge capacity, followed by some Mn reduction during discharge. In this work, we analyze the effects of ball milling on the structure, surface contaminant, and electrochemical capacity of Li 2 MnO 3 cathode material, with or without a graphitic fluoride (C-F) additive. At the same time, C-F is added to form a protective coating layer that reduces unwanted reactions with the electrolyte during later electrochemical cycling. We find that the C-F ball-milled material shows Li 2 MnO 3 /LiMnO 2 composite phases, while the purely ball-milled material shows a single Li 2 MnO 3 phase. Furthermore, we characterize surface species and gas evolution during the first cycle, which reveals the decomposition of Li 2 CO 3 and the carbonate electrolyte during the first charge, especially during the high potential region (>4.4 V), and the electrochemical reduction of only a small fraction of the evolved gas on the first discharge (<2.75 V). The appearance further demonstrates the repetitive nature of this process during charge and disappearance during discharge of Mn 2p 3/2 X-ray photoelectron spectroscopy (XPS) spectra signals during the first two cycles. These processes result in first discharge specific capacities of only 155 and 170 mAh/g after first charge specific capacities of 210 and 320 mAh/g for the pure ball-milled and ball-milled with C-F materials, respectively. These studies demonstrate the interfacial instability introduced by ball milling. However, the electrochemical capacity is significantly increased, necessitating further investigation to determine whether ball milling can activate Mn-containing cathode materials.

25 ENERGY STORAGE↗