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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reducing Sample Size While Improving Equity in Vaccine Clinical Trials: A Machine Learning-Based Recruitment Methodology with Application to Improving Trials of Hepatitis C Virus Vaccines in People Who Inject Drugs

Despite the availability of direct-acting antivirals that cure individuals infected with the hepatitis C virus (HCV), developing a vaccine is critically needed in achieving HCV elimination. HCV vaccine trials have been performed in populations with high incidence of new HCV infection such as people who inject drugs (PWID). Developing strategies of optimal recruitment of PWID for HCV vaccine trials could reduce sample size, follow-up costs and disparities in enrollment. We investigate trial recruitment informed by machine learning and evaluate a strategy for HCV vaccine trials termed PREDICTEE—Predictive Recruitment and Enrichment method balancing Demographics and Incidence for Clinical Trial Equity and Efficiency. PREDICTEE utilizes a survival analysis model applied to trial candidates, considering their demographic and injection characteristics to predict the candidate’s probability of HCV infection during the trial. The decision to recruit considers both the candidate’s predicted incidence and demographic characteristics such as age, sex, and race. We evaluated PREDICTEE using in silico methods, in which we first generated a synthetic candidate pool and their respective HCV infection events using HepCEP, a validated agent-based simulation model of HCV transmission among PWID in metropolitan Chicago. We then compared PREDICTEE to conventional recruitment of high-risk PWID who share drugs or injection equipment in terms of sample size and recruitment equity, with the latter measured by participation-to-prevalence ratio (PPR) across age, sex, and race. Comparing conventional recruitment to PREDICTEE found a reduction in sample size from 802 (95%: 642–1010) to 278 (95%: 264–294) with PREDICTEE, while also reducing screening requirements by 30%. Simultaneously, PPR increased from 0.475 (95%: 0.356–0.568) to 0.754 (95%: 0.685–0.834). Even when targeting a dissimilar maximally balanced population in which achieving recruitment equity would be more difficult, PREDICTEE is able to reduce sample size from 802 (95%: 642–1010) to 304 (95%: 288–322) while improving PPR to 0.807 (95%: 0.792–0.821). PREDICTEE presents a promising strategy for HCV clinical trial recruitment, achieving sample size reduction while improving recruitment equity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Heterogeneous Polymer Dynamics Explored Using Static 1H NMR Spectra

NMR spectroscopy continues to provide important molecular level details of dynamics in different polymer materials, ranging from rubbers to highly crosslinked composites. It has been argued that thermoset polymers containing dynamic and chemical heterogeneities can be fully cured at temperatures well below the final glass transition temperature (Tg). In this paper, we described the use of static solid-state 1H NMR spectroscopy to measure the activation of different chain dynamics as a function of temperature. Near Tg, increasing polymer segmental chain fluctuations lead to dynamic averaging of the local homonuclear proton-proton (1H-1H) dipolar couplings, as reflected in the reduction of the NMR line shape second moment (M2) when motions are faster than the magnitude of the dipolar coupling. In general, for polymer systems, distributions in the dynamic correlation times are commonly expected. To help identify the limitations and pitfalls of M2 analyses, the impact of activation energy or, equivalently, correlation time distributions, on the analysis of 1H NMR M2 temperature variations is explored. It is shown by using normalized reference curves that the distributions in dynamic activation energies can be measured from the M2 temperature behavior. An example of the M2 analysis for a series of thermosetting polymers with systematically varied dynamic heterogeneity is presented and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiphysics and Multiscale Modeling of Coupled Transport of Chloride Ions in Concrete

Chloride ions (Cl−)-induced corrosion is one of the main degradation mechanisms in reinforced concrete (RC) structures. In most situations, the degradation initiates with the transport of Cl− from the surface of the concrete towards the reinforcing steel. The accumulation of Cl− at the steel-concrete interface could initiate reinforcement corrosion once a threshold Cl− concentration is achieved. An accurate numerical model of the Cl− transport in concrete is required to predict the corrosion initiation in RC structures. However, existing numerical models lack a representation of the heterogenous concrete microstructure resulting from the varying environmental conditions and the indirect effect of time dependent temperature and relative humidity (RH) on the water adsorption and Cl− binding isotherms. In this study, a numerical model is developed to study the coupled transport of Cl− with heat, RH and oxygen (O2) into the concrete. The modeling of the concrete microstructure is performed using the Virtual Cement and Concrete Testing Laboratory (VCCTL) code developed by the U.S. National Institute of Standards and Technology (NIST). The concept of equivalent maturation time is utilized to eliminate the limitation of simulating concrete microstructure using VCCTL in specific environmental conditions such as adiabatic. Thus, a time-dependent concrete microstructure, which depends on the hydration reactions coupled with the temperature and RH of the environment, is achieved to study the Cl− transport. Additionally, Cl− binding isotherms, which are a function of the pH of the concrete pore solution, Cl− concentration, and weight fraction of mono-sulfate aluminate (AFm) and calcium-silicate-hydrate (C-S-H), obtained from an experimental study by the same authors are utilized to account for the Cl− binding of cement hydration products. The temperature dependent RH diffusion was considered to account for the transport of Cl− with moisture transport. The temperature and RH diffusion in the concrete domain, composite theory, and Cl− binding and water adsorption isotherms are used in combination, to estimate the ensuing Cl− diffusion field within the concrete. The coupled transport process of heat, RH, Cl−, and O2 is implemented in the Multiphysics Object-Oriented Simulation Environment (MOOSE) developed by the U.S. Idaho National Laboratory (INL). The model was verified and validated using data from multiple experimental studies with different concrete mixture proportions, curing durations, and environmental conditions. Additionally, a sensitivity analysis was performed to identify that the water-to-cement (w/c) ratio, the exposure duration, the boundary conditions: temperature, RH, surface Cl− concentration, Cl− diffusion coefficient in the capillary water, and the critical RH are the important parameters that govern the Cl− transport in RC structures. In a case study, the capabilities of the developed numerical model are demonstrated by studying the complex 2D diffusion of Cl− in a RC beam located in two different climatic regions: warm and humid weather in Galveston, Texas, and cold and dry weather in North Minnesota, Minnesota, subjected to time varying temperature, RH, and surface Cl− concentrations.

composite theory↗
DOE OSTI2021

Calcium Carbonate Cement: A Carbon Capture, Utilization, and Storage (CCUS) Technique

A novel calcium carbonate cement system that mimics the naturally occurring mineralization process of carbon dioxide to biogenic or geologic calcium carbonate deposits was developed utilizing carbon dioxide-containing flue gas and high-calcium industrial solid waste as raw materials. The calcium carbonate cement reaction is based on the polymorphic transformation from metastable vaterite to aragonite and can achieve >40 MPa compressive strength. Due to its unique properties, the calcium carbonate cement is well suited for building materials applications with controlled factory manufacturing processes that can take advantage of its rapid curing at elevated temperatures and lower density for competitive advantages. Examples of suitable applications are lightweight fiber cement board and aerated concrete. The new cement system described is an environmentally sustainable alternative cement that can be carbon negative, meaning more carbon dioxide is captured during its manufacture than is emitted.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Testing Various Cement Formulations under Temperature Cycles and Drying Shrinkage for Low-Temperature Geothermal Wells

Low-enthalpy geothermal wells are considered a sustainable energy source, particularly for district heating in the Netherlands. The cement sheath in these wells experiences thermal cycles. The stability of cement recipes under such conditions is not well understood. In this work, thermal cycling experiments for intermediate- and low-temperature geothermal well cements have been conducted. The samples were cured either under ambient conditions or under realistic pressure and temperature for 7 days. The samples did not show any signs of failure after performing 10 cycles of thermal treatment between 100 °C and 18 °C. We also tested cement formulations under drying conditions. Drying shrinkage is caused by a reduction in the water content of cement, which leads to capillary forces that can damage cement. Such circumstances lead to tensile stresses causing radial cracks. Most samples exhibited cracks under low humidity conditions (drying). Fiber reinforcement, especially using short PP fibers, improved the cement’s resilience to temperature and humidity changes. Such additives can improve the longevity of cement sheaths in geothermal wells.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Porous Polymer Structures with Tunable Mechanical Properties Using a Water Emulsion Ink

Recently, the manufacturing of porous polydimethylsiloxane (PDMS) with engineered porosity has gained considerable interest due to its tunable material properties and diverse applications. An innovative approach to control the porosity of PDMS is to use transient liquid phase water to improve its mechanical properties, which has been explored in this work. Adjusting the ratios of deionized water to the PDMS precursor during blending and subsequent curing processes allows for controlled porosity, yielding water emulsion foam with tailored properties. The PDMS-to-water weight ratios were engineered ranging from 100:0 to 10:90, with the 65:35 specimen exhibiting the best mechanical properties with a Young’s Modulus of 1.17 MPa, energy absorption of 0.33 MPa, and compressive strength of 3.50 MPa. This led to a porous sample exhibiting a 31.46% increase in the modulus of elasticity over a bulk PDMS sample. Dowsil SE 1700 was then added, improving the storage capabilities of the precursor. The optimal storage temperature was probed, with -60 °C resulting in great pore stability throughout a three-week duration. The possibility of using these water emulsion foams for paste extrusion additive manufacturing (AM) was also analyzed by implementing a rheological modifier, fumed silica. Fumed silica’s impact on viscosity was examined, revealing that 9 wt% of silica demonstrates optimal rheological behaviors for AM, bearing a viscosity of 10,290 Pa·s while demonstrating shear-thinning and thixotropic behavior. This study suggests that water can be used as pore-formers for PDMS in conjunction with AM to produce engineered materials and structures for aerospace, medical, and defense industries as sensors, microfluidic devices, and lightweight structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

3D Printing of Cement-Based Materials Using Seawater for Simulated Marine Environments

Global demand for adaptable and rapidly deployable construction solutions in offshore, coastal, and fluvial environments continues to rise, driven by pressing needs to develop energy platforms, improve coastal resilience, and support emergency response in the face of natural disasters. Increased investment in human-made coastal infrastructure, such as piers, support structures for power lines, offshore wind farms, and seawall protection systems, further underscores this trend. This study investigates the development of printable concrete mixtures for underwater environments using seawater as a replacement for freshwater, using a 3D printing syringe-based extrusion system. The effect of seawater addition and the printing medium (in air vs. underwater) was assessed via rheological and mechanical performance characterization. The results indicate rheological properties are favorable for seawater adoption by producing mixtures with higher yield stress and viscosity with the same levels of admixtures used for freshwater. Seawater-based mixtures demonstrated superior dimensional stability compared to freshwater counterparts, maintaining cross-sectional geometry, while compressive strength results showed no statistical differences between in-air and underwater samples. However, flexural strength was significantly influenced by geometry and printing medium. These findings establish critical rheological parameters for printable underwater mixtures and highlight the need for optimized curing strategies and layer bonding techniques to improve interfacial strength in underwater 3D printing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Long-Term Thermal Aging of Modified Sylgard 184 Formulations

Primarily used as an encapsulant and soft adhesive, Sylgard 184 is an engineered, high-performance silicone polymer that has applications spanning microfluidics, microelectromechanical systems, mechanobiology, and protecting electronic and non-electronic devices and equipment. Despite its ubiquity, there are improvements to be considered, namely, decreasing its gel point at room temperature, understanding volatile gas products upon aging, and determining how material properties change over its lifespan. In this work, these aspects were investigated by incorporating well-defined compounds (the Ashby–Karstedt catalyst and tetrakis (dimethylsiloxy) silane) into Sylgard 184 to make modified formulations. As a result of these additions, the curing time at room temperature was accelerated, which allowed for Sylgard 184 to be useful within a much shorter time frame. Additionally, long-term thermal accelerated aging was performed on Sylgard 184 and its modifications in order to create predictive lifetime models for its volatile gas generation and material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Making a Monkey out of Human Immunodeficiency Virus/Simian Immunodeficiency Virus Pathogenesis: Immune Cell Depletion Experiments as a Tool to Understand the Immune Correlates of Protection and Pathogenicity in HIV Infection

Understanding the underlying mechanisms of HIV pathogenesis is critical for designing successful HIV vaccines and cure strategies. However, achieving this goal is complicated by the virus’s direct interactions with immune cells, the induction of persistent reservoirs in the immune system cells, and multiple strategies developed by the virus for immune evasion. Meanwhile, HIV and SIV infections induce a pandysfunction of the immune cell populations, making it difficult to untangle the various concurrent mechanisms of HIV pathogenesis. Over the years, one of the most successful approaches for dissecting the immune correlates of protection in HIV/SIV infection has been the in vivo depletion of various immune cell populations and assessment of the impact of these depletions on the outcome of infection in non-human primate models. Here, we present a detailed analysis of the strategies and results of manipulating SIV pathogenesis through in vivo depletions of key immune cells populations. Although each of these methods has its limitations, they have all contributed to our understanding of key pathogenic pathways in HIV/SIV infection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Overview of the Fiber System for the Dark Energy Spectroscopic Instrument

The Dark Energy Spectroscopic Instrument (DESI) is a revolutionary instrument designed for precise measurements of cosmic distances and the investigation of dark energy. DESI utilizes 5000 optical fibers to simultaneously measure the spectra of distant objects and aims to measure 40 million galaxies and quasars in a 5 yr survey. One of the critical challenges to DESI's success was ensuring that the fiber system was not only highly efficient but also delivered a highly stable beam enabling more reliable sky subtraction for measurements of faint objects. We achieved this stability by minimizing the stress on the fiber system during the manufacture and operation of the telescope and fiber positioning robots. We installed the DESI fiber system on the 4 m Mayall telescope with ≥99% of fibers intact, and the instrument has delivered superb optical performance throughout the initial years of the DESI survey, including ≥90% average throughput when injected with a focal ratio of ~f/3.9 as delivered by the primary focus corrector, excluding fiber absorption losses. The design of DESI required multiple innovations to achieve these requirements, such as cleaved fibers bonded with a UV-curing epoxy to glass ferrules in the focal plane and fusion splicing instead of physical connectors. In this paper, we describe the development, delivery, and installation of the fiber system, the innovations that made the state-of-the-art performance possible, and the key lessons learned that could benefit future projects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Methods for producing electrochromic films by low temperature condensation of polyoxometalates

Described are electrochromic films produced by low temperature condensation of polyoxometalates and applications thereof. A method of producing an electrochromic film includes depositing a polyoxometalate (POM) solution on a substrate to form a POM film. The POM solution includes anionic POM clusters and counter ions, and may be doped with near-infrared plasmonic nanocrystals. The film is chemically cured using an acid to condense the POM clusters within the POM film. Another method of producing an electrochromic film includes electrochemical deposition and condensation of POM clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sorption and Desorption Study of a Nerve-Agent Simulant from Office Materials for Forensic Applications

Dimethyl methylphosphonate (DMMP) was used as a simulant to investigate the sorption and desorption of G-series nerve agents such as sarin (GB) released into an office space. DMMP was disseminated systematically as an aerosol and vapor on three common office materials, cardboard, polyurethane foam, and cured acrylic-based paint. The amount of DMMP initially captured on the office materials and the amount retained over a period of 10 hours was tracked gravimetrically and by solvent extraction and gas chromatography/mass spectrometry (GC/MS). Physicochemical properties of the office media including the specific surface area per mass, polarity, and Henry’s constants were determined to help explain the capture and release of DMMP that was observed. Polyurethane foam was found to have the largest sorption capacity for DMMP in a low-humidity setting, however, cardboard was found to have the largest sorption capacity at higher humidity. A fraction of the DMMP collected desorbed with first-order kinetics from all of the office materials in an open-air atmosphere over 8 hours. However, importantly for forensic purposes relevant to an indoor attack, a significant quantity (most notably on cardboard) of the nerve agent simulant was retained after 6 weeks and could be analyzed efficiently using solvent extraction followed by GC/MS.

chemical forensics↗
DOE OSTI2020

Carbon composition with hierarchical porosity, and methods of preparation

A method for fabricating a porous carbon material possessing a hierarchical porosity, the method comprising subjecting a precursor composition to a curing step followed by a carbonization step, the precursor composition comprising: (i) a templating component comprised of a block copolymer, (ii) a phenolic component, (iii) a dione component in which carbonyl groups are adjacent, and (iv) an acidic component, wherein said carbonization step comprises heating the precursor composition at a carbonizing temperature for sufficient time to convert the precursor composition to a carbon material possessing a hierarchical porosity comprised of mesopores and macropores. Also described are the resulting hierarchical porous carbon material, a capacitive deionization device in which the porous carbon material is incorporated, as well as methods for desalinating water by use of said capacitive deionization device.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Method for forming perovskite layers using atmospheric pressure plasma

Improved deposition of optoelectronically active perovskite materials is provided with a two step process. In the first step, precursors are deposited on a substrate. In the second step, the deposited precursors are exposed to an atmospheric pressure plasma which efficiently cures the precursors to provide the desired perovskite thin film. The resulting films can have excellent optical properties combined with superior mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

System and method for computed axial lithography (CAL) for 3D additive manufacturing

A method of forming a three dimensional (3D) object is disclosed. The method may involve providing a volume of photo-curable resin contained within an optically transparent resin container, and simultaneously directing optical projections from an optical subsystem at a plurality of angles θ through the volume of photo-curable resin. The optical beams are directed about a z axis extending through the volume of photo-curable resin. Each of the projections is provided with a calculated 2D spatial intensity function which creates a 3D intensity map. The projections act over a fixed temporal exposure period, during which the net exposure dose is sufficient to cure select portions of the volume of photo-curable resin, and to leave other portions uncured, to form a desired 3D part.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tamper indicating seal

A system and method for detecting tampering with a seal is provided. A loop seal tamper indicating device includes a seal wire that may be passed through a secured item or container to form a loop with the free ends of the seal wire passing through a seal housing. A plunger body including an adhesive-filled cavity is inserted into the seal housing, such that a piston expresses the adhesive into the space between the seal housing and the plunger body. The adhesive may contain reflective particles and is cured to fix the particles and the adhesive in place. A reference image may be taken to record the unique identifier and reflective signature of the adhesive. Future validation images may be compared to the reference image to determine whether the reflective signature has changed, thus indicating that the seal has been tampered with.

42 ENGINEERING↗
DOE OSTI2020

Silicone formulations for 3D printing

In one embodiment, a silicone-based ink for additive manufacturing includes a vinyl-terminated siloxane macromer, a hydrophobic reinforcing filler, and a rheology modifying additive. In another embodiment, a method of additive manufacturing with silicone-based ink includes adding a mixture that includes a vinyl-terminated siloxane macromer, a hydrophobic reinforcing filler, and a rheology modifying additive to a cartridge for additive manufacturing, extruding the mixture through the cartridge to form a structure, and curing the mixture to at least a predefined extent.

36 MATERIALS SCIENCE↗