Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “molecular materials”

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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Materials Design Directions for Solar Thermochemical Water Splitting

The sustainable, economical production of molecular hydrogen is a crucial component of a net zero-greenhouse-gas-emissions future. Solar thermochemical water splitting (STWS) offers a renewable route to hydrogen with the potential to help decarbonize several industries, including transportation, manufacturing, mining, metals processing, and electricity generation, as well as provide sustainable hydrogen as a chemical feedstock. STWS uses high temperatures generated from concentrated sunlight or other sustainable means for high-temperature heat to produce hydrogen and oxygen from steam. For example, in its simplest form of a two-step thermochemical cycle, a redox-active metal oxide is heated to ≈1700-2000 K, driving off molecular oxygen while producing oxygen vacancies in the material. The reduced metal oxide then cools (ideally with the extracted heat recuperated for re-use) and, in a separate step, comes into contact with steam, which reacts with oxygen vacancies to produce molecular hydrogen while recovering the original state of the metal oxide. Despite its promising use of the entire solar spectrum to split water thermochemically, the current estimated cost of hydrogen produced via STWS is ≈4-6× the U.S. Department of Energy (DOE) Hydrogen Shot target value of $1/kg. One contributing approach to bridging this cost gap is the design of new materials with improved thermodynamic properties to enable higher efficiencies. The state-of-the-art (SOA) redox-active metal oxide for STWS is ceria (CeO 2 ), due to its close to optimal, although too high, oxygen vacancy formation enthalpy and large configurational and electronic entropy of reduction. However, ceria requires high operating temperatures and its efficiency is insufficient. Therefore, efforts to increase the efficiency of STWS cycles have focused on further optimizing oxygen vacancy formation enthalpies and augmenting the reduction entropy via substitution or doping and materials discovery schemes. Examples of the latter include the perovskites BaCe 0.25 Mn 0.75 O 3 and (Ca,Ce)(Ti,Mn)O 3 . These efforts and others have revealed intuitive chemical principles for the efficient and systematic design of more effective materials, such as the strong correlation between the enthalpies of crystal bond dissociation and solid-state cation reduction with the enthalpy of oxygen vacancy formation, as well as configurational entropy augmentation via the coexistence of two or more redox-active cation sublattices. The purpose of this chapter is to prepare the reader with an up-to-date account of STWS redox-active materials, both the SOA and promising newcomers, as well as to provide chemically intuitive strategies for improving their cycle efficiencies through materials design – in conjunction with ongoing efforts in reactor engineering and gas separations – to reach the cost points for commercial viability. First, we will introduce the thermodynamics of STWS using a two-step, metal-oxide, thermochemical cycle with economics in mind. We also will compare the pros and cons of processes that do or do not involve phase changes. Second, we will describe the qualities that make ceria the SOA STWS redox-active material, as well as its limitations. Third, we will survey some of the most promising candidates to date in the search for materials to supplant ceria, emphasizing the post-ternary, metal-oxide-perovskite alloys. Lastly, we will enumerate and discuss the following materials design directions for STWS redox-active materials: crystal reduction potentials as a proxy for oxygen vacancy formation enthalpies, engineering the electronic and configurational entropy of reduction via f-shells and simultaneous redox, and vetting materials stability via temperature-dependent phase diagrams and melting-point prediction.

08 HYDROGEN↗
DOE OSTI2025

Bridging the length scales in ionic separations via data-driving machine learning

We pursued a data science driven machine learning (ML) approach that blended molecular scale attributes informed from molecular dynamics (MD) simulation and materials properties to the selectivity and energy efficiency in targeted ionic separations using electric fields. The model mixtures investigated for ionic separations are pH sensitive and include organic acids, silica and boron, transition metals, such as copper and chromium. There were two major research thrusts of this project. Firstly, we investigated surrogate models and deep learning that relate material chemistries and structures to selective transport of ionic species under applied electric fields. Secondly we investigated how the bipolar junction interfacial design and water dissociation catalyst in bipolar membranes affect reverse bias polarization behavior and pH modulation in deionization platforms as a function of the platform operating parameters (e.g., cell voltage, residence time, and salt feed concentration). As a result of this work, we also were able to start a new direction, namely ML models for molecular design of surfactants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Synthesis and investigation into explosive sensitivity for a series of new picramide explosives

Tailoring the molecular properties that govern energetic material sensitivity is essential to improve safety and help develop new energetic materials. Despite this need, understanding the complex chemistry and physics of explosive initiation and propagation is still a challenge. Recent work by our group has reinforced the view that explosive sensitivity under sub-shock conditions is connected to the strength of the weakest covalent bond in the molecule, that is, its “trigger linkage.” These correlations have been observed with different classes of energetic molecules and indicate that “trigger linkage” bond breaking, and heat of explosion are good indicators for the sensitivity trends. Herein we report the synthesis of aliphatic energetic materials with ethane, propane and neopentane backbones. Experimental and computational studies show that the trigger linkage model, based on results from quantum molecular dynamics simulations, correctly predicts trends observed in the impact sensitivity of the molecules. However, while the model predicts the impact sensitivities of the ethane series, the neopentane series has higher impact sensitivities than predicted, which is presumably influenced by crystal packing effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Molecular outgassing measurements for an element of the Shuttle thermal protection system

Molecular outgassing studies were conducted on a thermal-protection material recently developed for the Shuttle Orbiter. Molecular outgassing rates as low as 10 to the minus 11th g/sq cm/sec, condensation coefficients, and molecular desorption rates were measured in four separate experiments using cryogenically and thermoelectrically cooled quartz crystal microbalances. Although the initial outgassing rates are high, they decreased to values in the 10 to the minus 10th g/sq cm/sec range in a reasonable period of time. Outgassing rates do not increase after entry heating although the condensation coefficients at various microbalance collection-surface temperatures become somewhat larger.

Visentine, J. T.↗
NASA NTRSDate not supplied

Hydrophobicity of Cryogenic Fluids for Fuel Transfer in Space Applicaitons

Introduction Hydrophobicity is the tendency of a fluid to repel another material or fluid. Hydrophobiciy can be measured through the wetting angle of the fluid on the surface of the other material. The greater the wetting angle, the more hydrophobic the surface is against the fluid. Hydrophobicity properties can be caused by one of two means, either through physical properties or chemical properties [\citenum{NARBUTT2020121}]. Physical hydrophobicity due to the surface of a solid creating surface roughness/patterning, minimizing the contact area between the fluid and the surface. This can be observed throughout nature, such as the surface of lotus leaves or butterfly wings. This physical property can be induced on a variety of surfaces, namely through laser etching, allowing a surface to be finely lineated to imitate these natural surfaces while controlling quantity, depth, and patterns of the etching on the surface [\citenum{10.1063/1.4905616}]. Physical hydrophobicity is therefore dependent on several variables, including the surface that the fluid is on and properties of the fluid itself, such as density and surface tension, both of which are dependent on temperature and/or pressure. Chemical hydrophobicity [\citenum{MadeiraHydrophobocicicici}] is due to the inherent chemical properties of the materials being used. This is most commonly due to the molecular structures changing the polarity of the materials. Depending on a nonpolar material will repel a polar material, proving to be hydrophobic, conversely if the polarity of the materials is the same (polar – polar, nonpolar – nonpolar), they will attract each other. Cryogenics refers to the behavior of materials at very low temperatures (<\ang{-100} C) [\citenum{ZOHURI20181}]. In space applications many things are inherently cryogenic, therefore this is an important field. There has been little research in how hydrophobicity changes at cryogenic temperatures. Cryogenic fluids are commonly used as fuels for spacecraft, therefore, integrating a hydrophobic surface can increase the transfer rate of the fuel. To test this, several experiments were set up to determine the hydrophobic properties of cryogenic fluids, including nitrogen (LN2), argon (LAr), oxygen (LOx), hydrogen (LH2), and methane (CH4), at cryogenic temperatures. Etched Wafer Testing A silicon wafer cut from a crystal of silicon [100] was used to model the potential hydrophobicity of various cryogenic fluids. Silicon [100] references to the crystallographic orientation of the silicon crystals in the wafer. These wafers were then laser etched to create a surface that is more likely to be hydrophobic. To test the hydrophobicity of the wafers at cryogenic temperatures, the temperatures of the wafers must be reduced to the same temperature as the cryogenic fluid being used to prevent rapid boil-off. To achieve this a double-walled vacuum insulated glass chamber was utilized. The chamber is open, with a double-walled glass that can be placed in a vacuum to remove condensation from the outside to allow easier viewing of the experiment. Furthermore, the silicon wafer's temperature must be lowered to the temperature of LN2, as well as maintain the temperature throughout the experiment. To achieve this a piece of 6061 aluminum was used, creating a stand-off for the wafer and it would allow for the insulation of the temperature of the wafers. The container was then filled with LN2 and once the LN2 stabilized the vaporization and the levels of LN2 dropped under the height of the wafer, the wafer was then allowed to air dry. Once the wafer was dry from the LN2, drops of LN2 were placed on the surface of the wafer for observation. During the first trial, the LN2 that was dropped on the surface displayed nonhydrophobic behaviors, spreading out along the surface, with a minimal wetting angle (too small to be measured). This process was repeated for liquid argon. Further testing with other cryogenic liquids will require different testing apparatuses due to being more volatile. Furthermore, several papers [\citenum{voltvolt7}] have suggested that running a voltage can induce a hydrophobic effect throughout a surface, further testing will include a voltage (constant and oscillating) to determine if voltage influences inducing hydrophobicity at cryogenic temperatures. Chemical Testing Coating the interior walls of the fuel tanks and fuel lines can successfully create a hydrophobic surface. The inherent problem is finding a material that can be used to coat the surface, furthermore, at these temperatures, the coating will remain solid, which could pose issues in maintaining the hydrophobic properties. To test this water (polar) is hydrophobic against oils and fats (nonpolar), therefore the same experiment as the etched wafer testing was conducted to determine if the hydrophobic properties will persist as the nonpolar material remains solid and the polar material remains a fluid. The water remained hydrophobic, allowing testing can expand to the cryogenic fluids. However, another hurdle is faced in finding a chemically opposite material to the cryogenic fluids being tested. As many of the cryogenic fluids being tested are diatomic, they are inherently nonpolar, therefore, the material used for the hydrophobic coating must be polar. Polar greases and lubricants are difficult to come by, however, lithium stearate, appears to be a potential candidate for creating a coated hydrophobic surface for cryogenic fluids at cryogenic temperatures.

Cryogenics↗
DOE OSTI2024

Porous Organic Cage Membranes for Molecular Gas Separations (Final Technical Report for DE-SC0021357)

This proposal aims at demonstrating the development of a novel family of membranes, composed of porous organic cages (POC) which offer the possibility of displaying high separation performance for challenging molecular gas separations relevant to natural gas purification, and olefin/paraffin separation. The proposed POCs synthesized in membrane form will display the most desirable properties of polymers (facile processability and flexibility) and inorganic materials (hierarchically ordered pores with molecular sieving properties) leading to highly selective and permeable membranes. POCs should display distinctive structural, compositional, adsorption and transport properties than those of conventional porous materials, opening the doors for a new research direction in membrane science, and gas separations. Our preliminary results demonstrate the feasibility of preparing POC crystals with controlled size, and continuous POC membranes with remarkable high permeances, and separation ability for CO 2 /CH 4 , N 2 /CH 4 and C 3 H 6 /C 3 H 8 separations serving as a solid foundation for our proposed work. Fundamentally, this proposal aims at elucidating separation mechanisms of different gas mixtures related to natural gas composition, and olefin/paraffin separation over porous organic cage membranes. The proposed research will result in fundamental understanding of adsorption and transport properties of industrially relevant gas molecules through novel microporous membranes, and may lead to the development of a cost effective membrane technology for natural gas purification, and olefin/paraffin separation surpassing the conventional benchmark technology distillation. Furthermore, we aim at demonstrating selective water transport through POC membranes, which can be positively impactful in numerous industrial applications in which water is present. The ability to fabricate thin, chemically and mechanically stable POC membranes for societal relevant gas separations constitute a new and distinctive direction in membrane science. Our proposed work aims at addressing some of the challenges recognized in the Research Agenda for Transforming Separation Science . Specifically: (a) advancing understanding of complex mixtures on separation performance; (b) exploring thermodynamic and kinetic mechanisms through the elucidation of separation mechanisms, and (c) study potential stability issues of the membranes to be assessed by evaluating the long term membrane stability and performance at various temperatures and pressures. The team is uniquely qualified to execute the proposed work. The PI has solid expertise in the rational molecular engineering design of porous crystalline membranes for molecular gas separations. The PNNL collaborator has extensive experience in the synthesis, characterization, and functional applications of microporous crystals, with particular emphasis on gas adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

In-Space Recycler Technology Demonstration

In 2014, a 3D printer was installed and used successfully on the International Space Station (ISS), creating the first additively manufactured part in space. While additive manufacturing is a game changing technology for exploration missions, the process still requires raw feedstock material to fabricate parts. Without a recycling capability, a large supply of feedstock would need to be stored onboard, which negates the logistical benefits of these capabilities. Tethers Unlimited, Inc. (TUI), received a Small Business Innovation Research (SBIR) award to design and build the first In-space Recycler for demonstration aboard the ISS in 2017. To fully test this technology in microgravity, parts will be 3D printed, recycled into reusable filament, and then reprinted into new parts. Recycling scrap into printer filament is quite challenging in that a recycler must be able to handle a large variety of possible scrap configurations and densities. New challenges include: dealing with inevitable contamination of the scrap material, minimizing damage to the molecular structure of the plastic during reprocessing, managing a larger volume of hot liquid plastic, and exercising greater control over the cooling/resolidification of the material. TUI has developed an architecture that addresses these challenges by combining standard, proven technologies with novel, patented processes developed through this effort. Results show that the filament diameter achieved is more consistent than commercial filament, with only minimal degradation of material properties over recycling steps. In May 2016, TUI completed fabrication of a flight prototype, which will ultimately progress to the demonstration unit for the ISS as a testbed for future exploration missions. This capability will provide significant cost savings by reducing the launch mass and volume required for printer feedstock as well as reduce waste that must be stored or disposed.

Recycling↗
DOE OSTI2022

Structure of Water Adsorbed on Nanocrystalline Calcium Silicate Hydrate Determined from Neutron Scattering and Molecular Dynamics Simulations

Calcium silicate hydrate (C-S-H) is a disordered, nanocrystalline material that acts as a primary binding phase in Portland cement. Thin films of water are present on the surfaces and in nanopores of C-S-H, impacting many of its chemical and mechanical properties, such as ion transport, creep, or thermal behavior. Despite decades of research, a full understanding of the structural details of adsorbed, confined, and bulk water in C-S-H remains elusive. In this work, we applied a multitechnique study involving molecular dynamics (MD) simulations validated by neutron diffraction with isotopic substitution (NDIS) and X-ray scattering methods to investigate the structure of water in C-S-H and C-A-S-H (an Al-bearing, low-CO 2 C-S-H substitute). Direct comparison of NDIS data with the MD results reveals that the structure of confined and interfacial water differs significantly from the bulk water and exhibits a larger degree of mesoscale ordering for more hydrated C-S-H structures. As a result, this observation suggests an important role of water as a stabilizer of the atomistic-level structure of C-S-H.

36 MATERIALS SCIENCE↗
DOE OSTI2019

An investigation on the impact of halidization on substituted dimethoxybenzenes

Functionalized organic molecules are emerging as charge storage materials in electrochemical technologies as the breadth and diversity of the organic design space offers the possibility of purpose-built materials with property sets optimized for a particular application. First developed as overcharge protection materials in lithium-ion batteries, substituted dialkoxybenzenes represent a potentially promising molecular platform for advancing soluble charge storage materials. In this study, we systematically substitute a series of halide groups at the 2- and 5-positions of the 1,4-dimethoxybenzene core, investigate the impact the halide groups have on molecular properties using electrochemical and spectroscopy methods, and compare these results to those of 2,5-dimethyl-1,4-dimethoxybenzene (25DDB), a previously reported derivative. In general, we observe that introduction of heavy halogen atoms leads to decreased gravimetric capacity as compared to 25DDB, but concomitantly improves solubility and redox potentials. As the halide functional group increases in size, the active material becomes less stable in its oxidized state as evinced by both cyclic voltammetry and bulk electrolysis cycling. None of the halogenated species are as stable as 25DDB indicating that these materials may be better suited for applications with more rapid cycling conditions (e.g., redox shuttling). More broadly, these results may serve as a useful data set for computational methods for materials discovery and optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Mechanochemically responsive polymer enables shockwave visualization

Abstract Understanding the physical and chemical response of materials to impulsive deformation is crucial for applications ranging from soft robotic locomotion to space exploration to seismology. However, investigating material properties at extreme strain rates remains challenging due to temporal and spatial resolution limitations. Combining high-strain-rate testing with mechanochemistry encodes the molecular-level deformation within the material itself, thus enabling the direct quantification of the material response. Here, we demonstrate a mechanophore-functionalized block copolymer that self-reports energy dissipation mechanisms, such as bond rupture and acoustic wave dissipation, in response to high-strain-rate impacts. A microprojectile accelerated towards the polymer permanently deforms the material at a shallow depth. At intersonic velocities, the polymer reports significant subsurface energy absorption due to shockwave attenuation, a mechanism traditionally considered negligible compared to plasticity and not well explored in polymers. The acoustic wave velocity of the material is directly recovered from the mechanochemically-activated subsurface volume recorded in the material, which is validated by simulations, theory, and acoustic measurements. This integration of mechanochemistry with microballistic testing enables characterization of high-strain-rate mechanical properties and elucidates important insights applicable to nanomaterials, particle-reinforced composites, and biocompatible polymers.

Science & Technology - Other Topics↗
DOE OSTI2020

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Origin of short- and medium-range order in supercooled liquid Ge 3 Sb 2 Te 6 from ab initio molecular dynamics simulations

Phase-change materials such as Ge–Sb–Te compounds have attracted much attention due to their potential value in electrical data storage. In contrast to the amorphous and crystalline phases, supercooled liquids are far from being deeply understood despite their inevitable role in both amorphization and crystallization processes. To this end, we have studied the dynamics properties and structural characteristics of liquid and supercooled liquid Ge 3 Sb 2 Te 6 during the fast cooling process. As the temperature decreases, chemical bonds become more homogeneous, but coordination numbers of Ge, Sb and Te atoms change very little. Meanwhile, the structural order of short-range configuration is obviously enhanced. Further studies suggest that Ge-centered, Sb-centered and Te-centered configurations change to the more ordered defective octahedrons mainly by adjusting the bond-angle relationship and bond length, rather than just by changing the coordination environment. It is the more ordered octahedrons that promote the formation of medium-range order. Our findings provide a deep insight into the origin of local structural order in supercooled liquid Ge 3 Sb 2 Te 6 , which is of great importance for the comprehensive understanding of amorphization and crystallization processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Investigation of mechanochemical interactions of hydrogen with earth materials in a subsurface gas storage

The goal of this project is to investigate the molecular interactions of H 2 with earth materials (EMs) that may potentially affect economics and safety of H 2 geological storage (HGS). We investigated (1) the H 2 intercalation into interlayers of phyllosilicates, (2) the competitive adsorption of H 2 /CH 4 onto porous materials, and (3) solubility of H 2 in interfacial and confined hydrocarbons. Our results indicate that (i) H 2 intercalation into hydrated interlayers is thermodynamically unfavorable and H 2 solubility in hydrated clay interlayers is in the same order of magnitude as that in bulk water, (ii) CH 4 outcompetes H 2 in adsorption onto kerogen, due to stronger CH 4 -kerogen interactions than H 2 -kerogen interactions, (iii) H 2 tends to dissolve more in oil than in water, and the introduction of CO 2 as a cushion gas reduces H 2 partitioning near the kaolinite surfaces. The outcomes provide foundational knowledge for preparing the USA for future storage site selection and storage system design, supporting DOE missions in clean and secured energy.

08 HYDROGEN↗
DOE OSTI2024

Aberration corrected RF flipper for high resolution neutron spectroscopy

Project Summary Company: Adelphi Technology, Inc. Title: Aberration-corrected High Frequency RF Flipper for High-Resolution Neutron Spectroscopy PI: Dr. Jay Theodore Cremer Topic: C55-11 Enhancement of Scattering Instrumentation Technology Used at Pulsed and Continuous Sources Subtopic: d. Other Statement of the problem or situation that is being addressed. The quest to understand heterogeneous and hierarchical materials is gathering momentum, as described in a 2015 report by the Basic Energy Sciences Advisory Committee on Challenges at the Frontiers of Matter and Energy. For the past 40 years a technique called neutron spin echo (NSE) has been used to probe molecular motions in such non-crystalline materials over time scales from 10’s of picoseconds to 100’s of nanoseconds. The method has provided unique information about the dynamics of soft heterogeneous materials, including confirmation of the de Gennes model of polymer reptation and quantitative measurement of bending constants of biologically relevant lipid membranes. However, scientists continue to clamor for even higher resolution than NSE can provide. Biomaterials, polymers, glasses, and artificially nanostructured materials all manifest slow molecular motions because of weak or competing interactions between subunits and are amenable to study with neutrons, provided sufficiently long dynamical correlation times can be achieved. All these materials have important applications to advanced technologies so understanding them is key to technological progress. General statement of how this problem is being addressed. We will address the need for high-resolution neutron spectroscopy by using a technique called Neutron Resonance Spin Echo (NRSE). While similar to NSE in many respects, this method has the potential to exceed the NSE capabilities, if 2 technical hurdles can be overcome. The major impediments to successful high-resolution NRSE are the availability of two technologies: a very high frequency, efficient, radiofrequency (rf) flipper for neutrons and a method to correct certain magnetic aberrations. Based on previous STTR support and follow-on research we have developed a suitable rf flipper and we have invented a method to correct the magnetic aberrations. Both technologies need refinement to make them suitable for implementation at a neutron source such as the Oak Ridge National Laboratory nuclear reactor. In this proposal we seek to perfect the two technologies and to combine them into a single, operationally convenient device. Commercial Applications and Other Benefits In view of the increasing demand for the unique scientific information that high resolution neutron spectroscopy can provide, we expect several major instrumentation upgrades at both U.S. and foreign neutron centers will require make use of the NRSE method over the coming decade, creating a market for the devices we will design. These components will enhance scientists’ abilities to probe the time dependence of density fluctuations in a wide range of hierarchical and heterogeneous materials many of which are vital to existing and future technologies. Key Words – Polarized Neutrons, Neutron Spin Echo, Neutron Scattering, advanced materials. Summary for Members of Congress Neutron beams are a powerful materials-science probe that provide unique information about the structure of matter. The proposed devices will accelerate scientific discoveries required to achieve national goals for new technological materials.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Preliminary Testing of NASA's Molecular Adsorber Coating Technology for Future Missions to Mars

The Molecular Adsorber Coating (MAC) is a sprayable coatings technology that was developed at NASA Goddard Space Flight Center (GSFC). The coating is comprised of highly porous, zeolite materials that help capture outgassed molecular contaminants on spaceflight applications. The adsorptive capabilities of the coating can alleviate molecular contamination concerns on or near sensitive surfaces and instruments within a spacecraft. This paper will discuss the preliminary testing of NASA’s MAC technology for use on future missions to Mars. The study involves evaluating the coating’s molecular adsorption properties in simulated test conditions, which include the vacuum environment of space and the Martian atmosphere. MAC adsorption testing was performed using a commonly used plasticizer called dioctyl phthalate (DOP) as the test contaminant.

CO2↗
NASA NTRS2018

Preliminary Testing of NASA's Molecular Adsorber Coating Technology for Future Missions to Mars

The Molecular Adsorber Coating (MAC) is a sprayable coatings technology that was developed at NASA Goddard Space Flight Center (GSFC). The coating is comprised of highly porous, zeolite materials that help capture outgassed molecular contaminants on spaceflight applications. The adsorptive capabilities of the coating can alleviate molecular contamination concerns on or near sensitive surfaces and instruments within a spacecraft. This paper will discuss the preliminary testing of NASA's MAC technology for use on future missions to Mars. The study involves evaluating the coating's molecular adsorption properties in simulated test conditions, which include the vacuum environment of space and the Martian atmosphere. MAC adsorption testing was performed using a commonly used plasticizer called dioctyl phthalate (DOP) as the test contaminant.

outgassing↗
NASA NTRS1971

Formation of free radicals during mechanical degradation of elastomers.

Solithane 113 (an amorphous polyurethane elastomer) was prepared by curing equal proportions of castor oil and trifunctional isocyanate for 6 hr 45 min at 170 F. The sample material was mechanically degraded by grinding below and above its glass transition point at liquid nitrogen and room temperatures. The EPR spectra of ground samples were recorded and the number of free radicals were determined by a computer double-integration of the recorded spectra and by a comparison of the values with those of a standard material. Curves of EPR spectra suggest that different molecular mechanisms may be active in degradation of this material below and above its glass transition temperature.

Devries, K. L.↗
DOE OSTI2020

Robust natural nanocomposites realizing unprecedented ultrafast precise molecular separations

Synthetic polymer membranes can potentially reduce the large energy and carbon footprints that are typically associated with traditional chemical separation technologies. Unfortunately, current production protocols negate the green benefits of membrane separation. To address this bottleneck, here we report the use of natural materials monosaccharide – glucose and polydopamine and Zr-based metal organic frameworks (MOFs) to fabricate ultrathin nanocomposite membranes via interfacial polymerization reaction. The synergistic effect of these three materials on angstrom-scale molecular transport both in organic solvent and aqueous environment was elucidated using a series of complementary techniques. We demonstrate such nature-inspired nanocomposite membranes enable structural stability even in polar aprotic solvents, and unparalleled ultra-fast, low-pressure, precise separations in both nanofiltration modes, which easily surpass state-of-the-art membranes relying on unsustainable materials. Finally, the multi-functionality of saccharide nanocomposites was elegantly harnessed to impact separation applications that contribute towards a better living environment.

36 MATERIALS SCIENCE↗