Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “block structure”

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 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A Solid Zn-Ion Conductor from an All-Zinc Metal–Organic Framework Replete with Mobile Zn 2+ Cations

Here, we describe the synthesis and properties of Zn 3 [(Zn 4 Cl) 3 (BTT) 8 ] 2 (ZnZnBTT, BTT 3– = 1,3,5-benzenetristetrazolate), a heretofore unknown member of a well-known, extensive family of metal–organic frameworks (MOFs) with the general formula M II 3 [(M II 4 Cl) 3 (BTT) 8 ] 2 , which adopts an anionic, sodalite-like structure. As with previous members in this family, ZnZnBTT presents two crystallographically distinct metal cations: a skeletal Zn 2+ site, fixed within Zn 4 Cl(tetrazole) 8 secondary building units (SBUs), and a charge-balancing Zn 2+ site. Self-assembly of ZnZnBTT from its building blocks has remained elusive; instead, we show that ZnZnBTT is readily accessed by quantitative postsynthetic exchange of all Mn 2+ ions in MnMnBTT with zinc. We further demonstrate that ZnZnBTT is a promising Zn-ion conductor owing to the mobile charge-balancing extra-framework Zn 2+ cations. The new material displays a Zn-ion conductivity of σ = 1.15 × 10 –4 S/cm at room temperature and a relatively low activation energy of E a = 0.317 eV, enabling potential applications in the emerging field of quasi-solid-state zinc-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Spin-Triplet Pairing State Evidenced by Half-Quantum Flux in a Noncentrosymmetric Superconductor

Building future fault-tolerant quantum computers may rely on a basic but so far elusive building-block-type of materials, superconductors with spin-triplet pairing, which were considered to be very rare. Now physicists demonstrate that they can be found in materials with low symmetry, different from most common crystalline materials. The new finding focuses on a particular type of crystals, the structure of which does not have inversion symmetry. For more than a decade, this material class (noncentrosymmetric superconductor) has been inferred to be a potential rich mine of spin-triplet superconductors. It is conceived that the spin-triplet pairing is promised by the broken inversion symmetry, however key experimental evidences remain lacking. Xu et al. applied a newly developed method to examine a prototype noncentrosymmetric superconductor, α-BiPd. Their experiment reveals the presence of the highly unusual half-integer quantization of magnetic flux in polycrystalline rings of α-BiPd, which is a smoking-gun evidence for spin-triplet pairing. This new finding ignites hopes that spin-triplet pairing may be a common presence among the dozens of known noncentrosymmetric superconductors as theoretically expected, which can now be unambiguously identified by the unique phenomenon of half-quantum magnetic flux.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nanometer-Scale Measurement of Grid Finger Electrical Conduction Pathways to Detect Series Resistance Degradation of Utility-Scale Silicon Solar Cells

Here, we report on an electrical conduction mechanism for series resistance (Rs) degradation observed in a utility-scale photovoltaic power plant by imaging the local resistance at the Ag/Si interface of the c-Si front metallization. Scanning spreading resistance microscopy imaging with nanometer (nm) scale spatial resolution revealed that the number of point or small-area electrical contacts decreased substantially in a degraded cell compared to an unaffected cell, demonstrating the root cause of Rs degradation. The decrease in electrical contacts is likely caused by a structural change - the Ag particles in contact with the Si cell (or via a nm-thickness tunneling glass layer) aggregate into bulk Ag, and a highly resistive glass frit forms a belt shape at the Ag/Si interface. This resistive belt, with a thickness of ~1 um, blocks the current conduction from the cell emitter to the Ag grid. Our microscopy results help to unravel unambiguously the degradation mechanism and demonstrate an example of the multiscale characterization approach for understanding degradation in field-weathered PV module.

14 SOLAR ENERGY↗
DOE OSTI2024

Probing ligand conformation and net dimensionality in a series of tetraphenylethene-based metal–organic frameworks

Tetraphenylethene-based ligands with lowered symmetry are promising building blocks for the construction of novel luminescent metal–organic frameworks (MOFs). However, few examples have been reported, and predicting the ligand conformation and the dimensionality of the resulting MOF remains challenging. In order to uncover how synthetic conditions and accessible ligand conformations may affect the resulting MOF structure, four new MOF structures were synthesized under solvothermal conditions using the meta-coordinated tetraphenylethene-based ligand m-ETTC and paddlewheel SBUs composed of Co(II), Cu(II), and Zn(II). WSU-10 (WSU = Washington State University) is formed with either Zn or Cu comprising stacked psuedo-2D layers. The dimensionality of WSU-10 can be intentionally increased through the addition of pyrazine as a pillar ligand into the synthesis, forming the 3D structure WSU-11. The third structure, WSU-20, is formed by the combination of Zn or Co with m-ETTC and is intrinsically 3D without the use of a pillar ligand; interestingly, this is the result of a distortion in the paddlewheel SBU. Finally, Cu was also found to form a new structure (WSU-12), which displays an m-ETTC conformation unique from that found in the other isolated MOFs. Structural features are compared across the series and a mechanistic relationship between WSU-10 and -20 is proposed, providing insight into the factors that can encourage the generation of frameworks with increased dimensionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Troposphere-Stratosphere Connections in Recent Northern Winters in NASA GEOS Assimilated Datasets

The northern winter stratosphere displays a wide range of interannual variability, much of which is believed to result from the response to the damping of upward-propagating waves. However, there is considerable (growing) evidence that the stratospheric state can also impact the tropospheric circulation. This issue will be examined using datasets generated in the Data Assimilation Office (DAO) at NASA's Goddard Space Flight Center. Just as the tropospheric circulation in each of these years was dominated by differing synoptic-scale structures, the stratospheric polar vortex also displayed different evolutions. The two extremes are the winter 1998/1999, when the stratosphere underwent a series of warming events (including two major warmings), and the winter 1999/2000, which was dominated by a persistent, cold polar vortex, often distorted by a dominant blocking pattern in the troposphere. This study will examine several operational and research-level versions of the DAO's systems. The 70-level-TRMM-system with a resolution of 2-by-2.5 degrees and the 48-level, 1-by-l-degree resolution ''Terra'' system were operational in 1998/1999 and 1999/2000, respectively. Research versions of the system used a 48-level, 2-by-2.5-degree configuration, which facilitates studies of the impact of vertical resolution. The study includes checks against independent datasets and error analyses, as well as the main issue of troposphere-stratosphere interactions.

Pawson, Steven↗
NASA NTRS2004

Atlas V Launch Incorporated NASA Glenn Thermal Barrier

In the Spring of 2002, Aerojet experienced a major failure during a qualification test of the solid rocket motor that they were developing for the Atlas V Enhanced Expendable Launch Vehicle. In that test, hot combustion gas reached the O-rings in the nozzle-to-case joint and caused a structural failure that resulted in loss of the nozzle and aft dome sections of the motor. To improve the design of this joint, Aerojet decided to incorporate three braided carbon-fiber thermal barriers developed at the NASA Glenn Research Center. The thermal barriers were used to block the searing-hot 5500 F pressurized gases from reaching the temperature-sensitive O-rings that seal the joint. Glenn originally developed the thermal barriers for the nozzle joints of the space shuttle solid rocket motors, and Aerojet decided to use them on the basis of the results of several successful ground tests of the thermal barriers in the shuttle rockets. Aerojet undertook an aggressive schedule to redesign the rocket nozzle-to-case joint with the thermal barriers and to qualify it in time for a launch planned for the middle of 2003. They performed two successful qualification tests (Oct. and Dec. 2002) in which the Glenn thermal barriers effectively protected the O-rings. These qualification tests saved hundreds of thousands of dollars in development costs and put the Lockheed-Martin/Aerojet team back on schedule. On July 17, 2003, the first flight of an Atlas V boosted with solid rocket motors successfully launched a commercial satellite into orbit from Cape Canaveral Air Force Station. Aero-jet's two 67-ft solid rocket boosters performed flawlessly, with each providing thrust in excess of 250,000 lbf. Both motors incorporated three Glenn-developed thermal barriers in their nozzle-to-case joints. The Cablevision satellite launched on this mission will be used to provide direct-to-home satellite television programming for the U.S. market starting in late 2003. The Atlas V is a product of the military's Enhanced Expendable Launch Vehicle program designed to provide assured military access to space. It can lift payloads up to 19,100 lb to geosynchronous transfer orbit and was designed to meet Department of Defense, commercial, and NASA needs. The Atlas V and Delta IV are two launch systems being considered by NASA to launch the Orbital Space Plane/Crew Exploration Vehicle. The launch and rocket costs of this mission are valued at $250 million. Successful application of the Glenn thermal barrier to the Atlas V program was an enormous breakthrough for the program's technical and schedule success.

Dunlap, Patrick H., Jr.↗
NASA NTRS2015

Marshall Space Flight Center Faculty Fellowship Program

The Faculty Fellowship program was revived in the summer of 2015 at NASA Marshall Space Flight Center, following a period of diminished faculty research activity here since 2006 when budget cuts in the Headquarters' Education Office required realignment. Several senior Marshall managers recognized the need to involve the Nation's academic research talent in NASA's missions and projects to the benefit of both entities. These managers invested their funds required to establish the renewed Faculty Fellowship program in 2015, a 10-week residential research involvement of 16 faculty in the laboratories and offices at Marshall. These faculty engineers and scientists worked with NASA collaborators on NASA projects, bringing new perspectives and solutions to bear. This Technical Memorandum is a compilation of the research reports of the 2015 Marshall Faculty Fellowship program, along with the Program Announcement (appendix A) and the Program Description (appendix B). The research touched on seven areas-propulsion, materials, instrumentation, fluid dynamics, human factors, control systems, and astrophysics. The propulsion studies included green propellants, gas bubble dynamics, and simulations of fluid and thermal transients. The materials investigations involved sandwich structures in composites, plug and friction stir welding, and additive manufacturing, including both strength characterization and thermosets curing in space. The instrumentation projects involved spectral interfero- metry, emissivity, and strain sensing in structures. The fluid dynamics project studied the water hammer effect. The human factors project investigated the requirements for close proximity operations in confined spaces. Another team proposed a controls system for small launch vehicles, while in astrophysics, one faculty researcher estimated the practicality of weather modification by blocking the Sun's insolation, and another found evidence in satellite data of the detection of a warm-hot intergalactic medium filament. Our goal is to continue the Faculty Fellowship effort with Center funds in succeeding summers.

Six, N. F.↗
DOE OSTI2025

Repurposing Post-Consumer Polyethylene to Access Cross-Linked Polyethylene with Reprocessabilty, Recyclability, and Tunable Properties

Polyethylene (PE) is the most widely produced plastic but accumulation and resistance to degradation has significantly contributed to the plastic waste crisis. Upcycling has presented promising solutions to transform PE waste into value-added products. In this study, mixed post-consumer PE was successfully repurposed into reprocessable and chemically recyclable cross-linked polyethylene (XLPE). This process involved converting PE into telechelic oligomers, followed by repolymerization using a hybrid cross-linking system consisting of a dynamic cross-linker 2,4,6-triethoxy-1,3,5-triazine (TETA) and non-dynamic cross-linker tris(6-isocyanatohexyl)isocyanurate (Tri-HDI). In the resulting XLPE, TETA facilitated iterative reprocessing with minimal property degradation across cycles, whereas Tri-HDI helped preserve functional performance throughout service life. Compared to PE, XLPE exhibited enhanced mechanical properties, reduced creep deformation under application-relevant temperatures, and high temperature structural stability. Notably, copolymerizing PE oligomers with commercial macrodiols was employed to create composite XLPEs, enabling tuning material properties. After use, XLPE can be efficiently and selectively depolymerized under mild conditions, even when mixed with commercial insulator cables. This depolymerization allows for the recovery of the constituent building blocks, enabling purification and subsequent repolymerization for reuse. This approach demonstrates the potential of repurposing plastic waste into sustainable materials and fostering the development of a circular economy.

INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMI↗
DOE OSTI2021

Fast multiscale contrast independent preconditioners for linear elastic topology optimization problems

The goal of this work is to present a fast and viable approach for the numerical solution of the high-contrast state problems arising in topology optimization. The optimization process is iterative, and the gradients are obtained by an adjoint analysis, which requires the numerical solution of large high-contrast linear elastic problems with features spanning several length scales. The size of the discretized problems forces the utilization of iterative linear solvers with solution time dependent on the quality of the preconditioner. The lack of clear separation between the scales, as well as the high-contrast, imposes severe challenges on the standard preconditioning techniques. Thus, here we propose new methods for the high-contrast elasticity equation with performance independent of the high-contrast and the multi-scale structure of the elasticity problem. The solvers are based on two-levels domain decomposition techniques with a carefully constructed coarse level to deal with the high-contrast and multi-scale nature of the problem. The construction utilizes spectral equivalence between scalar diffusion and each displacement block of the elasticity problems and, in contrast to previous solutions proposed in the literature, is able to select the appropriate dimension of the coarse space automatically. The new methods inherit the advantages of domain decomposition techniques, such as easy parallelization and scalability. Finally, the presented numerical experiments demonstrate the excellent performance of the proposed methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Reverse scaling of a bonded-sphere DEM model: Formulation and application to lignocellulosic biomass microstructures

We explore scaling laws for adapting a bonded-sphere discrete element method (BS-DEM) model developed for woody structural mechanics at the millimeter scale to model the mechanics of realistic lignocellulosic biomass microstructures. Two scaling approaches, i.e., the reverse coarse graining (RCG) and equivalent bulk behavior (EBB), are proposed based on the classical mechanics principles and assessed in the single-particle compression and rectangular cuboid block tension tests. The EBB approach is recommended for BS-DEM models with general 3D geometries and is applied to simulate the microindentation test on a realistic microscale pinewood specimen. Simulations are performed to elucidate the impact of specimen thickness and loading position on the specimen’s force–deformation behavior. Furthermore, the range of Young’s modulus obtained from the calibrated BS-DEM simulations can match the experimental measurements. This is the first-of-its-kind study that has explored scale-bridging modeling approaches in biomass micromechanics and has proposed solutions based on BS-DEM models in the microscale.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Quasi-Two-Dimensional Heterostructures (K M 1 – x Te)(LaTe 3 ) ( M = Mn and Zn) with Charge Density Waves

Layered heterostructure materials with two different functional building blocks can teach us about emergent physical properties and phenomena arising from interactions between the layers. Here, we report intergrowth compounds KLaM 1 - x Te 4 (M = Mn and Zn; $x \approx$ 0.35) featuring two chemically distinct alternating layers [LaTe 3 ] and [KM 1 - x Te]. Their crystal structures are incommensurate, determined by single X-ray diffraction for the Mn compound and a transmission electron microscope study for the Zn compound. KLaMn 1 – x Te 4 crystallizes in the orthorhombic superspace group Pmnm(01/2 gamma)s00 with lattice parameters a = 4.4815(3) Å, b = 21.6649(16) Å, and c = 4.5220(3) Å. It exhibits charge density wave order at room temperature with a modulation wave vector q = 1/2b* + 0.3478c* originating from electronic instability of Te-square nets in [LaTe 3 ] layers. The Mn analog exhibits a cluster spin glass behavior with spin freezing temperature $T_f \approx$ 5 K attributed to disordered Mn vacancies and competing magnetic interactions in the [Mn 1 - x Te] layers. The Zn analog also has charge density wave order at room temperature with a similar q-vector having the c* component similar to 0.346 confirmed by selected-area electron diffraction. Electron transfer from [KM 1 - x Te] to [LaTe 3 ] layers exists in KLaM 1 – x Te 4 , leading to an enhanced electronic specific heat coefficient. The resistivities of KLaM 1 - x Te 4 (M = Mn and Zn) exhibit metallic behavior at high temperatures and an upturn at low temperatures, suggesting partial localization of carriers in the [LaTe 3 ] layers with some degree of disorder associated with the M atom vacancies in the [M 1 - x Te] layers.

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

Inverse design of nanoporous crystalline reticular materials with deep generative models

Reticular frameworks are crystalline porous materials that form via the self-assembly of molecular building blocks in different topologies, with many having desirable properties for gas storage, separation, catalysis, biomedical applications and so on. The notable variety of building blocks makes reticular chemistry both promising and challenging for prospective materials design. Here we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder for the generative design of reticular materials. We demonstrate the automated design process with a class of metal–organic framework (MOF) structures and the goal of separating carbon dioxide from natural gas or flue gas. Our model shows high fidelity in capturing MOF structural features. Here, we show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The minor pilin PilV provides a conserved adhesion site throughout the antigenically variable meningococcal type IV pilus

Type IV pili (T4P) are among the most widespread adhesive factors in prokaryotes. In pathogenic Neisseria, the major pilin, which provides the structural framework for the filamentous T4P, undergoes antigenic variation allowing the bacteria to evade the humoral immune response without impacting host-cell adhesion. Here, we show that a minor pilin, PilV, is distributed throughout the pilus and contributes to Neisseria meningitidis adhesion and that antibodies to PilV block meningococcal adhesion in vivo. Our results provide a mechanism whereby N. meningitidis varies its immunodominant major pilin to escape antibody recognition while maintaining conserved sites throughout the pilus for host receptor binding. They further suggest a strategy to prevent or block deadly N. meningitidis infections by targeting this minor pilin.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Distributed Hierarchical Contour Trees

Contour trees are a significant tool for data analysis as they capture both local and global variation. However, their utility has been limited by scalability, in particular for distributed computation and storage. We report a distributed data structure for storing the contour tree of a data set distributed on a cluster, based on a fan-in hierarchy, and an algorithm for computing it based on the boundary tree that represents only the superarcs of a contour tree that involve contours that cross boundaries between blocks. This allows us to limit the communication cost for contour tree computation to the complexity of the block boundaries rather than of the entire data set.

Carr, Hamish A↗
DOE OSTI2021

A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models

Interactions between WD40 repeat domain protein 5 (WDR5) and its various partners such as mixed lineage leukemia (MLL) and c-MYC are essential for sustaining oncogenesis in human cancers. However, inhibitors that block protein-protein interactions (PPIs) between WDR5 and its binding partners exhibit modest cancer cell killing effects and lack in vivo efficacy. Here, we present pharmacological degradation of WDR5 as a promising therapeutic strategy for treating WDR5-dependent tumors and report two high-resolution crystal structures of WDR5-degrader-E3 ligase ternary complexes. We identified an effective WDR5 degrader via structure-based design and demonstrated its in vitro and in vivo antitumor activities. On the basis of the crystal structure of an initial WDR5 degrader in complex with WDR5 and the E3 ligase von Hippel–Lindau (VHL), we designed a WDR5 degrader, MS67, and demonstrated the high cooperativity of MS67 binding to WDR5 and VHL by another ternary complex structure and biophysical characterization. MS67 potently and selectively depleted WDR5 and was more effective than WDR5 PPI inhibitors in suppressing transcription of WDR5-regulated genes, decreasing the chromatin-bound fraction of MLL complex components and c-MYC, and inhibiting the proliferation of cancer cells. In addition, MS67 suppressed malignant growth of MLL-rearranged acute myeloid leukemia patient cells in vitro and in vivo and was well tolerated in vivo. Collectively, our results demonstrate that structure-based design can be an effective strategy to identify highly active degraders and suggest that pharmacological degradation of WDR5 might be a promising treatment for WDR5-dependent cancers.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Crystallization and assembly at interfaces: Celebrating the achievements of a vibrant research community

Crystallization is one of the cornerstones of modern materials science and engineering and plays a critical role in industries ranging from petroleum derivative manufacturing to microstructural engineering of structural materials and the defect-free growth of silicon single crystals for integrated chip technology. Also, in the realm of environmental and biological processes, the mineralization of diverse compounds has shaped the vast array of ecosystems we observe today. Conversely, understanding the crystallization and assembly of building blocks of various sizes at interfaces has broader impacts on materials synthesis, performance of energy storage devices, optimized processing conditions, and more.

36 MATERIALS SCIENCE↗
DOE OSTI2023

NanoMechanics: Elasticity and Friction in Nano‐Objects

A large scientific and technological effort is underway to investigate the properties of two‐dimensional (2D) materials to become building blocks in integrated nano‐electronic and photonic circuits, composites, coatings, energy harvesting nano‐ systems, nano‐sensors, and nano‐electro‐mechanical systems (NEMS).While several experiments and calculations have revealed exciting novel phenomena in these nanostructures, many scientific and technological questions remain open. In particular, understanding and controlling the structure and mechanical properties of 2D materials at the interface with a solid surface is of key importance to enable the aforementioned nanotechnologies, as well as to fulfill the potential of strain engineering to tailor their properties. The vision of this DoE research program was to investigate novel mechanical properties and phenomena in 1D and 2D materials with the overarching goal of defining a new basic understanding of mechanical behavior in nano and quantum systems. The group of the PI has developed in the last years several studies on the mechanical properties of Carbon nanotubes and oxide nanobelts, more recently the PI has focused her attention on the properties of two‐dimensional materials, such as graphene and MoS 2 , which are a few‐atomic‐layer thick films and hold a great potential for technological and energy applications. The most studied 2D material is graphene, existing as a single layer of graphite or a few‐layer thick epitaxial graphene film. Graphene possesses a large in‐plane Young’s modulus as well as high intrinsic carrier mobility, and high in‐plane thermal conductivity. Besides graphene, also 2D films of graphene oxide (GO), hexagonal Boron Nitride (h‐BN), and transition metal dichalcogenides such as MoS 2 exhibit unique and excellent properties and hold great promise for nanotechnology applications. This research program was aimed at developing a new basic understanding of the mechanical properties of 1D and 2D materials at the interface with solid substrates, with a focus on the role of defects, materials structure, and substrate interaction. Ultimately, we aimed at developing the basic knowledge and experimental tools for manipulating 1D and 2D materials’ structure, stacking, substrate interaction, defects, and number of layers to realize an entirely new class of ultra‐hard, ultra‐thin, and ultra‐light active materials with ad‐ hoc mechanical properties for a variety of applications.

2D Materials↗