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At least 415 records · Page 23

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DOE OSTI2026

A meshing framework for digital twins for extrusion based additive manufacturing

Additive manufacturing (AM) allows for manufacturing of complex three-dimensional geometries not typically realizable with standard manufacturing practices. The internal microstructure of AM components has a significant impact on mechanical, vibrational, and shock properties and permits richer design space when this is controllable. Due to complex interactions of internal geometry of an extrusion-based AM component, it is common practice to assume homogeneous behavior or to perform characterization testing on specific toolpath configurations. To avoid testing or material waste, it is necessary to develop a consistently accurate numerical simulation framework with relevant boundary value problems that can handle the complicated geometry of internal material microstructure present in AM components. Herein, a framework is proposed to directly create computational meshes suitable for finite element analysis (FEA) of the fine-scale features generated from extrusion-based AM tool paths to maintain a strong process–structure–property-performance linkage. This mesh can be manually or automatically analyzed using standard FEA simulations such as quasi-static preloading or modal analysis. The framework allows an in-silico assessment of a target AM geometry where fine-scale features greatly impact quantities of design interest such as in soft elastomeric lattices where toolpath infill can greatly influence the self-contact of a structure in compression, which we use as a motivating exemplar. This approach greatly reduces both time and resource waste present in traditional build and test design cycles for non-intuitive design spaces, and acts as a tool for use in the production of a key component of a digital twin, a mesh suitable for finite element analysis. In conclusion, it also further allows for the exploration of toolpath infill to optimize component properties beyond simple linear properties such as density and stiffness.

Additive manufacturing↗

DOE OSTI2025

Zwitterionic Photocurable Resin for High‐Resolution 3D Printing of Ultralow‐Fouling Microstructures

High‐resolution 3D printing technologies are enabling a new generation of microstructured materials for applications where biocompatibility is critical. However, most conventional 3D‐printable resins yield materials that exhibit trade‐offs between antifouling properties and mechanical robustness, limiting their applicability in living systems. In nature, zwitterionic surface groups form tightly bound hydration layers that act as effective barriers against protein and cell attachment. Inspired by this strategy, a zwitterionic acrylamide‐based photoresist—carboxybetaine di‐methacrylamide (CBDA)—is developed for projection‐based vat photopolymerization, enabling the fabrication of complex microarchitectures with exceptional antifouling properties. The bifunctional monomer allows the formation of dense, cross‐linked networks that resist swelling while maintaining a high density of zwitterionic groups. Printed structures exhibit strong resistance to protein and cell adhesion, as confirmed by porcine blood assays, alongside robust mechanical performance. As a demonstration, a tubular structure featuring a negative Poisson's ratio lattice is printed to showcase structural fidelity and versatility. This resin formulation offers a broadly applicable strategy for fabricating microscale devices and surfaces where antifouling performance and structural integrity are both essential—spanning biomedical interfaces, soft robotics, and beyond.

3D printing↗

NASA NTRS1974

Vibration and stress analysis of soft-bonded shuttle insulation tiles. Modal analysis with compact widely space stringers

An efficient iterative procedure is described for the vibration and modal stress analysis of reusable surface insulation (RSI) of multi-tiled space shuttle panels. The method, which is quite general, is rapidly convergent and highly useful for this application. A user-oriented computer program based upon this procedure and titled RESIST (REusable Surface Insulation Stresses) has been prepared for the analysis of compact, widely spaced, stringer-stiffened panels. RESIST, which uses finite element methods, obtains three dimensional tile stresses in the isolator, arrestor (if any) and RSI materials. Two dimensional stresses are obtained in the tile coating and the stringer-stiffened primary structure plate. A special feature of the program is that all the usual detailed finite element grid data is generated internally from a minimum of input data. The program can accommodate tile idealizations with up to 850 nodes (2550 degrees-of-freedom) and primary structure idealizations with a maximum of 10,000 degrees-of-freedom. The primary structure vibration capability is achieved through the development of a new rapid eigenvalue program named ALARM (Automatic LArge Reduction of Matrices to tridiagonal form).

Ojalvo, I. U.↗

NASA NTRS2017

Elastomeric Sensing of Pressure with Liquid Metal and Wireless Inductive Coupling

This project describes resistance-based soft sensors filled with liquid metal, which permit measurements of large strains (0 percent to 110 percent), associated with small forces of less than 30 Newtons. This work also demonstrates a methodology for wireless transfer of these strain measurements without connected electrodes. These sensors allow intermittent detection of pressure on soft membranes with low force. Adapting these sensors for passive wireless pressure sensing will eliminate the need for embedded batteries, and will allow the sensors to transmit pressure data through non-conductive materials including glass and acrylic. The absence of batteries allows us to embed these sensors into materials for long-term use because the sensors only use passive analog circuit elements. We found the oxidation of the liquid metal (eutectic gallium indium) plays a role in the repeatability of the soft sensors. We investigated how the oxidation layer affected the behavior of the sensor by encapsulating materials (silicone, fluorosilicone, and PVC) with varied permeabilities to oxygen. We measured the effects of mechanical loading on the oxidation layer and the effects of wireless inductive coupling on the oxidation layer. We concluded our research by investigating the effects of embedding self-resonant circuits into polydimethylsiloxane (PDMS). Efforts to design engineered systems with soft materials are a growing field with progress in soft robotics, epidermal electronics, and wearable electronics. In the field of soft robotics, PDMS-based grippers are capable of picking up delicate objects because their form-fitting properties allow them to conform to the shape of objects more easily than conventional robotic grippers. Epidermal devices also use PDMS as a substrate to hold electronic components such as radios, sensors, and power supply circuits. Additionally, PDMS-based soft sensors can monitor human motion with liquid metal embedded within micro-channels. Passive wireless sensors have applications in structural health monitoring and medical health monitoring. Doctors can take wireless blood pressure measurements inside arteries to monitor the progression of heart disease. Glaucoma patients can use this technology to monitor the pressure in their eyes to track the progression of the disease.

Dick, Jacob↗

DOE OSTI2020

Emergent behavior of LaNiO 3 in short-periodic nickelate superlattices

Heterostructure engineering provides an efficient way to obtain several emergent phases of LaNiO 3 , as demonstrated in recent works. In this work, a new class of short periodic superlattices, consisting of LaNiO 3 and EuNiO 3 have been grown by pulsed laser interval deposition to investigate the effect of structural symmetry mismatch on the electronic and magnetic behaviors. Using synchrotron based soft and hard x-ray resonant scattering experiments, we have found that these heterostructures undergo simultaneous electronic and magnetic transitions. Most importantly, LaNiO 3 within these artificial structures exhibits a new antiferromagnetic, charge ordered insulating phase, which may be a potential candidate to achieve high temperature superconductivity.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Nitrogen-doped carbon for selective pseudo-metal-free hydrodeoxygenation of 5-hydroxymethylfurfural to 2,5-dimethylfuran: Importance of trace iron impurity

Heteroatoms-doped carbon materials have recently emerged as effective catalysts for various chemical and electrochemical reactions. The free of metals especially noble metals reduces cost and eliminates issues like sintering or leaching of metals at elevated temperatures in solvents. In this work, selective hydrodeoxygenation (HDO) of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) is for the first time achieved over simple nitrogen-doped carbon (N-C) catalysts. Further, at optimal reaction conditions, a 91% yield of DMF is obtained with excellent catalyst stability. Extensive characterization, including extended X-ray absorption fine-structure (EXAFS) and soft X-ray absorption spectroscopy (sXAS), model reactions, basic data science analysis, and DFT calculations suggest that ppm of Fe in particular FeN 3 sites formed in pyrolysis, rather than non-metallic elements, drive key steps such as H 2 activation and deoxygenation of –OH during HMF HDO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate

Amorphous calcium carbonate is an important precursor for biomineralization in marine organisms. Key outstanding problems include understanding the structure of amorphous calcium carbonate and rationalizing its metastability as an amorphous phase. Here we report high-quality atomistic models of amorphous calcium carbonate generated using state-of-the-art interatomic potentials to help guide fits to X-ray total scattering data. Exploiting a recently developed inversion approach, we extract from these models the effective Ca∙∙∙Ca interaction potential governing the structure. This potential contains minima at two competing distances, corresponding to the two different ways that carbonate ions bridge Ca 2+ -ion pairs. We reveal an unexpected mapping to the Lennard-Jones–Gauss model normally studied in the context of computational soft matter. The empirical model parameters for amorphous calcium carbonate take values known to promote structural complexity. We thus show that both the complex structure and its resilience to crystallization are actually encoded in the geometrically frustrated effective interactions between Ca 2+ ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

Improved Thermal-Insulation Systems for Low Temperatures

Improved thermal-insulation materials and structures and the techniques for manufacturing them are undergoing development for use in low-temperature applications. Examples of low-temperature equipment for which these thermal insulation systems could provide improved energy efficiency include storage tanks for cryogens, superconducting electric-power-transmission equipment, containers for transport of food and other perishable commodities, and cold boxes for low-temperature industrial processes. These systems could also be used to insulate piping used to transfer cryogens and other fluids, such as liquefied natural gas, refrigerants, chilled water, crude oil, or low-pressure steam. The present thermal-insulation systems are layer composites based partly on the older class of thermal-insulation systems denoted generally as multilayer insulation (MLI). A typical MLI structure includes an evacuated jacket, within which many layers of radiation shields are stacked or wrapped close together. Low-thermal-conductivity spacers are typically placed between the reflection layers to keep them from touching. MLI can work very well when a high vacuum level (less than 10(exp-4) torr) is maintained and utmost care is taken during installation, but its thermal performance deteriorates sharply as the pressure in the evacuated space rises into the soft vacuum range [pressures greater than 0.1 torr (greater than 13 Pa)]. In addition, the thermal performance of MLI is extremely sensitive to mechanical compression and edge effects and can easily decrease from one to two orders of magnitude from its ideal value even when the MLI is kept under high vacuum condition. The present thermal-insulation systems are designed to perform well under soft vacuum level, in particular the range of 1 to 10 torr. They are also designed with larger interlayer spacings to reduce vulnerability to compression (and consequent heat leak) caused by installation and use. The superiority of these systems is the synergistic effect of improvements in materials, design, and manufacture.

Fesmire, James E.↗

DOE OSTI2022

Superconducting dome in ferroelectric-type materials from soft mode instability

Here we present a minimal theory of superconductivity enhancement in ferroelectric-type materials. Simple expressions for the optical mode responsible for the soft mode transition are assumed. A key role is played by the anharmonic phonon damping which is modulated by an external control parameter (electron doping or mechanical strain) causing the appearance of the soft mode. It is shown that the enhancement in the superconducting critical temperature T c upon approaching the ferroelectric transition from either side is due to the Stokes electron-phonon scattering processes promoted by strong phonon damping effects.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Structural Evolution of Mixed-Addenda Keggin Polyoxometalate Anions with Atom-by-Atom Substitution

Polyoxometalates (POMs) are molecular metal oxides with distinctive electronic properties that make them promising materials for applications in energy, sensors, and memory devices. One of the most promising methods of tuning the stability, photochromic, redox, and electron-spin properties of POMs is through the substitution of the metal “addenda” atoms that, along with oxygen, constitute their cage-like structures. Because traditional synthesis methods typically produce a distribution of POMs, the isolation and characterization of multimetallic POMs with predetermined stoichiometry remains challenging. The presence of multiple energetically accessible isomers further complicates the experimental characterization and theoretical modeling of multimetallic POMs. Herein, we leverage the distinguishing mass-selection capabilities of ion soft landing to prepare stoichiometrically selected Keggin PMo x W 12-x O 40 3- (x = 0 – 6, 8, 10, and 12) POMs on self-assembled monolayer surfaces free of the solvent molecules and counterions that often confound characterization of complex species at interfaces. The structures of the supported POMs are characterized with atom-by-atom precision using in situ infrared (IR) reflection absorption spectroscopy complemented by detailed density functional theory calculations. Our joint experimental and theoretical results reveal an almost linear shift in the positions of the IR bands towards lower wavenumbers with an increase in the number of lighter molybdenum atoms compared to heavier W atoms in PMoxW 12-x O 40 3- . The theoretical calculations also indicate that numerous isomeric structures may be populated at the experimental conditions and, consequently, contribute to the overall IR spectra. In conclusion, our findings indicate that in addition to the number of substituted addenda atoms and the presence of multiple isomeric structures, interactions with the surface play an important role in determining the IR spectra and structure of supported bimetallic POMs.

Prabhakaran, Venkateshkumar [Pacific Northwest Nat↗

DOE OSTI2025

Hybrid chemical characterization of latent images in EUV resist with 12 nm half-pitch features

With the advancement of high numerical aperture extreme ultraviolet (EUV) lithography, the new platform will enable chipmakers to achieve critical dimensions of 8 nm. However, resist materials face significant challenges in delivering increased sensitivity while managing rising stochastic variations. We aim to develop comprehensive techniques to characterize the chemical profile of latent images, stored in EUV resists after exposure and postexposure baking, which is essential for understanding the origin of stochastic effects. Infrared photo-induced force microscopy (IR PiFM) is a bimodal atomic force microscopy technique combined with an infrared light source, allowing for simultaneous sub-5 nm topographic and chemical characterization within a localized environment. Critical-dimension resonant soft X-ray scatterometry (CD-RSoXS) provides statistical data that reveal structural and chemical information for comparative analysis. For the first time, IR PiFM has been used to chemically map the latent images of EUV resists (after exposure and postexposure baking) at a record high resolution of 12 nm half-pitch, enabling nondestructive analysis of patterns prior to development. Furthermore, CD-RSoXS offers direct experimental observation and comparison of exposed, postexposure baked, and developed patterns, which align with the IR PiFM results. We demonstrate that the IR PiFM technique offers valuable insights into both high spatial resolution and local chemical information simultaneously. In addition, CD-RSoXS provides statistical results that support our main findings. This hybrid metrology approach leverages a multifaceted dataset by combining the most reliable information from each source, which is essential for a comprehensive understanding of the stochastic effects in EUV lithography processes.

O’Reilly, Padraic↗

NASA NTRS1977

Development of flame resistant treatment for Nomex fibrous structures

Flame resistant fibrous materials for space shuttle application were developed through chemical modification of commercially available aromatic polyamide fibrous products. The new surface treatment was achieved in the laboratory by ultraviolet activation of the fabric in the presence of fluoroolefin monomers and a diluent gas. The monomers grafted under these conditions provide the improved properties of the fabric in flame resistance, chemical inertness, and nonwettability without the sacrifice of color or physical properties. The laboratory reaction vessel was scaled-up to a batch continuous process, which treats ten yards of the commercial width textiles. The treated commercial width Nomex (HT-10-41) from the scaled-up reactor is self-extinguishing in an oxygen-enriched environment, water-repellent, soft, silky, and improved in chemical resistance. Unlike most textile processes, the grafting unit operates under dry conditions and no chemical by-products have to be washed out of the finished product.

Toy, M. S.↗

DOE OSTI2023

Ion emission from warm dense matter produced by irradiation with a soft x-ray free-electron laser

Here we report on an experiment performed at the FLASH2 free-electron laser (FEL) aimed at producing warm dense matter via soft x-ray isochoric heating. In the experiment, we focus on study of the ions emitted during the soft x-ray ablation process using time-of-flight electron multipliers and a shifted Maxwell–Boltzmann velocity distribution model. We find that most emitted ions are thermal, but that some impurities chemisorbed on the target surface, such as protons, are accelerated by the electrostatic field created in the plasma by escaped electrons. The morphology of the complex crater structure indicates the presence of several ion groups with varying temperatures. We find that the ion sound velocity is controlled by the ion temperature and show how the ion yield depends on the FEL radiation attenuation length in different materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Antiferromagnetic excitonic insulator state in Sr3Ir2O7

Abstract Excitonic insulators are usually considered to form via the condensation of a soft charge mode of bound electron-hole pairs. This, however, presumes that the soft exciton is of spin-singlet character. Early theoretical considerations have also predicted a very distinct scenario, in which the condensation of magnetic excitons results in an antiferromagnetic excitonic insulator state. Here we report resonant inelastic x-ray scattering (RIXS) measurements of Sr 3 Ir 2 O 7 . By isolating the longitudinal component of the spectra, we identify a magnetic mode that is well-defined at the magnetic and structural Brillouin zone centers, but which merges with the electronic continuum in between these high symmetry points and which decays upon heating concurrent with a decrease in the material’s resistivity. We show that a bilayer Hubbard model, in which electron-hole pairs are bound by exchange interactions, consistently explains all the electronic and magnetic properties of Sr 3 Ir 2 O 7 indicating that this material is a realization of the long-predicted antiferromagnetic excitonic insulator phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1992

Integration mockup and process material management system

Work to define and develop a full scale Space Station Freedom (SSF) mockup with the flexibility to evolve into future designs, to validate techniques for maintenance and logistics and verify human task allocations and support trade studies is described. This work began in early 1985 and ended in August, 1991. The mockups are presently being used at MSFC in Building 4755 as a technology and design testbed, as well as for public display. Micro Craft also began work on the Process Material Management System (PMMS) under this contract. The PMMS simulator was a sealed enclosure for testing to identify liquids, gaseous, particulate samples, and specimen including, urine, waste water, condensate, hazardous gases, surrogate gasses, liquids, and solids. The SSF would require many trade studies to validate techniques for maintenance and logistics and verify system task allocations; it was necessary to develop a full scale mockup which would be representative of current SSF design with the ease of changing those designs as the SSF design evolved and changed. The tasks defined for Micro Craft were to provide the personnel, services, tools, and materials for the SSF mockup which would consist of four modules, nodes, interior components, and part task mockups of MSFC responsible engineering systems. This included the Engineering Control and Life Support Systems (ECLSS) testbed. For the initial study, the mockups were low fidelity, soft mockups of graphics art bottle, and other low cost materials, which evolved into higher fidelity mockups as the R&D design evolved, by modifying or rebuilding, an important cost saving factor in the design process. We designed, fabricated, and maintained the full size mockup shells and support stands. The shells consisted of cylinders, end cones, rings, longerons, docking ports, crew airlocks, and windows. The ECLSS required a heavier cylinder to support the ECLSS systems test program. Details of this activity will be covered. Support stands were designed and built for each module to sufficiently move and rotate each module. Secondary structures such as floors, ceilings, bulkheads, standoffs, racks, etc. were developed and built.

Verble, Adas James, Jr.↗

NASA NTRS1992

Coronal Magnetic Structures Observing Campaign. II - Magnetic and plasma properties of a solar active region

Simultaneous soft X-ray, microwave, and photospheric magnetic field observations were taken during the Coronal Magnetic Structures Observing Campaign. The plasma electron temperatures and emission measures determined from the X-ray data are used to predict the intensity and structure of the thermal bremsstrahlung emission at 20 and 6 cm. Comparing these predictions with the microwave observations, it is found that the 20 cm structure is very similar to that expected from the X-rays, but a substantial amount of the 6 cm emission was resolved out. The predicted 20 cm brightness temperatures are higher than the observed, requiring cool absorbing material (not greater than 500,000 K) between the hot X-ray plasma and the observer. The absorption mechanism in the cool plasma at 20 cm is most likely thermal bremsstrahlung, requiring coronal magnetic fields as high as 150 G. 'Coronal Magnetograms', made by extrapolating the photospheric longitudinal field using the Sakurai code, show that appropriate values of the total field are reached at heights of 6000-10,000 km above the photosphere (at many but not all locations).

Schmelz, J. T.↗

DOE OSTI2021

Understanding the Photochemical Properties of Polythiophene Polyelectrolyte Soft Aggregates with Sodium Dodecyl Sulfate for Antimicrobial Activity

The threat of antibiotic-resistant bacteria is an ever-increasing problem in public health. In this report, we examine the photochemical properties with a proof-of-principle biocidal assay for a novel series of regio-regular imidazolium derivative poly-(3-hexylthiophene)/sodium dodecyl sulfate (P3HT-Im/SDS) materials from ultrafast sub-ps dynamics to μs generation of reactive oxygen species (ROS) and 30 min biocidal reactivity with Escherichia coli (E. coli). This broad series encompassing pure P3HT-Im to cationic, neutral, and anionic P3HT-Im/SDS materials are all interrogated by a variety of techniques to characterize the physical material structure, electronic structure, and antimicrobial activity. Our results show that SDS complexation with P3HT-Im results in aggregate materials with reduced ROS generation and light-induced anti-microbial activity. However, our characterization reveals that the presence of non-aggregated or lightly SDS-covered polymer segments is still capable of ROS generation. Full encapsulation of the P3HT-Im polymer completely deactivates the light killing pathway. High SDS concentrations, near and above critical micelle concentration, further deactivate all anti-microbial activity (light and dark) even though the P3HT-Im regains its electronic properties to generate ROS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Survivability characteristics of composite compression structure

Test and evaluation was performed to determine the compression residual capability of graphite reinforced composite panels following perforation by high-velocity fragments representative of combat threats. Assessments were made of the size of the ballistic damage, the effect of applied compression load at impact, damage growth during cyclic loading and residual static strength. Several fiber/matrix systems were investigated including high-strain fibers, tough epoxies, and APC-2 thermoplastic. Additionally, several laminate configurations were evaluated including hard and soft laminates and the incorporation of buffer strips and stitching for improved damage resistance of tolerance. Both panels (12 x 20-inches) and full scale box-beam components were tested to assure scalability of results. The evaluation generally showed small differences in the responses of the material systems tested. The soft laminate configurations with concentrated reinforcement exhibited the highest residual strength. Ballistic damage did not grow or increase in severity as a result of cyclic loading, and the effects of applied load at impact were not significant under the conditions tested.

Avery, John G.↗