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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Facile fabrication of 2D material multilayers and vdW heterostructures with multimodal microscopy and AFM characterization

Reliable transfer processes that enable manipulation of two-dimensional (2D) materials, e.g., transition metal dichalcogenides (TMDCs) and MXenes, from one substrate to another has been a necessity for successful device fabrication. Here, with both mechanical exfoliation and chemical vapor deposition (CVD) widely used, a versatile, clean, deterministic, and yet simple transfer technique is highly needed. To address such need, we developed a transfer method that takes advantage of wettability contrast between interfaces without the use of sacrificial layers or chemical processes. More importantly, a setup was developed to carry out this transfer method with high sample selectivity and fine control of the position and orientation of transferred TMDC crystals, a feature required for fabrication of the devices based on vertical 2D heterostructures. Using both exfoliated and CVD grown materials and subsequent atomic force microscopy (AFM), photoluminescence (PL), confocal Raman and tip enhanced Raman spectroscopy (TERS) characterization, we ascertained the quality of interfaces resulting from the transfer process while preserving excellent 2D material integrity. PL and TERS maps revealed nanometer-scale heterogeneities in the interfaces of fabricated heterostructures, which should enable further perfection of the transfer technique. TERS/TEPL information were employed to identify areas suitable for nanodevice fabrication, making the reported transfer and characterization methods ideal for making high quality assembly of 2D heterostructure more accessible, which should facilitate exploration of vertical 2D heterostructures for applications in electronics, batteries, solar cells, and twistronics.

2D material transfer↗
DOE OSTI2022

Experimental demonstration of optical stochastic cooling

Particle accelerators and storage rings have been transformative instruments of discovery, and, for many applications, innovations in particle-beam cooling have been a principal driver of that success. Stochastic cooling (SC), one of the most important conceptual and technological advances in this area cools a beam through granular sampling and correction of its phase-space structure, thus bearing resemblance to a ‘Maxwell’s demon’. The extension of SC from the microwave regime up to optical frequencies and bandwidths has long been pursued, as it could increase the achievable cooling rates by three to four orders of magnitude and provide a powerful tool for future accelerators. First proposed nearly 30 years ago, optical stochastic cooling (OSC) replaces the conventional microwave elements of SC with optical-frequency analogues and is, in principle, compatible with any species of charged-particle beam. Here we describe a demonstration of OSC in a proof-of-principle experiment at the Fermi National Accelerator Laboratory’s Integrable Optics Test Accelerator. The experiment used 100-MeV electrons and a non-amplified configuration of OSC with a radiation wavelength of 950 nm, and achieved strong, simultaneous cooling of the beam in all degrees of freedom. This realization of SC at optical frequencies serves as a foundation for more advanced experiments with high-gain optical amplification, and advances opportunities for future operational OSC systems with potential benefit to a broad user community in the accelerator-based sciences.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

We introduce QM7-X, a comprehensive dataset of 42 physicochemical properties for ≈4.2 million equilibrium and non-equilibrium structures of small organic molecules with up to seven non-hydrogen (C, N, O, S, Cl) atoms. To span this fundamentally important region of chemical compound space (CCS), QM7-X includes an exhaustive sampling of (meta-)stable equilibrium structures—comprised of constitutional/structural isomers and stereoisomers, e.g., enantiomers and diastereomers (including cis-/trans- and conformational isomers)—as well as 100 non-equilibrium structural variations thereof to reach a total of ≈4.2 million molecular structures. Computed at the tightly converged quantum-mechanical PBE0+MBD level of theory, QM7-X contains global (molecular) and local (atom-in-a-molecule) properties ranging from ground state quantities (such as atomization energies and dipole moments) to response quantities (such as polarizability tensors and dispersion coefficients). By providing a systematic, extensive, and tightly-converged dataset of quantum-mechanically computed physicochemical properties, we expect that QM7-X will play a critical role in the development of next-generation machine-learning based models for exploring greater swaths of CCS and performing in silico design of molecules with targeted properties.

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

Simulation of adiabatic quantum computing for molecular ground states

Quantum computation promises to provide substantial speedups in many practical applications with a particularly exciting one being the simulation of quantum many-body systems. Adiabatic state preparation (ASP) is one way that quantum computers could recreate and simulate the ground state of a physical system. In this paper, we explore a novel approach for classically simulating the time dynamics of ASP with high accuracy and with only modest computational resources via an adaptive sampling configuration interaction scheme for truncating the Hilbert space to only the most important determinants. We verify that this truncation introduces negligible error and use this new approach to simulate ASP for sets of small molecular systems and Hubbard models. Furthermore, we examine two approaches to speeding up ASP when performed on quantum hardware: (i) using the complete active space configuration interaction (CASCI) wave function instead of the Hartree–Fock initial state and (ii) a nonlinear interpolation between the initial and target Hamiltonians. We find that starting with a CASCI wave function with a limited active space yields substantial speedups for many of the systems examined, while nonlinear interpolation does not. In additional, we observe interesting trends in the minimum gap location (based on the initial state) as well as how state preparation time can depend on certain molecular properties, such as the number of valence electrons. Importantly, we find that the required state preparation times do not show an immediate exponential wall that would preclude an efficient run of ASP on actual hardware.

Kremenetski, Vladimir↗
DOE OSTI2024

The role of magnetic anisotropy in the magnetoresistance of Cr 2 O 3 /Al 2 O 3 thin film antiferromagnets

The magnetic states of antiferromagnetic insulating thin films are a promising medium for information storage, but characterization of these states has proven to be challenging. One approach is via magnetotransport measurements in an adjacent heavy metal layer. To this end, we synthesized and characterized a series of Cr 2 O 3 films and bilayers on Al 2 O 3 substrates with three different orientations: m-plane, a-plane, and c-plane. X-ray diffraction results demonstrated orientation control of the Cr 2 O 3 thin film, with m-plane films displaying a higher degree of mosaic spread than the a- and c-plane films. Reciprocal space maps showed that the films are mostly relaxed, although there was a small and different degree of strain in each orientation. The m-plane films were under 2% compressive strain, the a-plane film was under 0.5% compressive strain, and the c-plane film was completely relaxed to bulk values. To probe the magnetic state of the films, we measured the angular dependent magnetoresistance of Cr 2 O 3 /Pt bilayers for each orientation. We found a nontrivial temperature dependence of the sign of the magnetoresistance, pointing to the complex interplay between the exchange and anisotropy energies that vary with orientation. We propose that strain and mosaic spread may contribute to a difference in magnetic anisotropies among the samples and the resulting temperature dependence of the magnetoresistance. This work demonstrates the importance of considering the competition between antiferromagnetic exchange and magnetic anisotropy when storing information in the spin state of an antiferromagnetic insulator.

42 ENGINEERING↗
DOE OSTI2022

Unveiling the Nature of Polar-ring Galaxies from Deep Imaging

Abstract General structural properties and low surface brightness tidal features hold important clues to the formation of galaxies. In this paper, we study a sample of polar-ring galaxies (PRGs) based on optical imaging from the Sloan Digital Sky Survey Stripe 82 and other deep surveys. We investigate the deepest images of candidates for PRGs to date. We carry out photometric decomposition on the host galaxies and associated polar structures that allows us to derive the structural properties of both components. We are able to detect very faint tidal structures around most PRGs in our sample. For several galaxies, we can directly observe the formation of the polar ring due to merging, which is manifested in debris of the victim galaxy and an arc-like polar structure made up of its material. In a few cases, we can discern signs of tidal accretion. The results obtained indicate that the gravitational interaction and merging of galaxies are the most plausible mechanisms for the formation of PRGs.

Astronomy & Astrophysics↗
DOE OSTI2024

Strong nebular emissions associated with Mg ii absorptions detected in the SDSS spectra of background quasars

ABSTRACT We present long-slit spectroscopic observations of 40 Galaxy On Top of Quasars (GOTOQs) at ${0.37 \leqslant z \leqslant 1.01}$ using the South African Large Telescope. Using this and available photometric data, we measure the impact parameters of the foreground galaxies to be in the range of 3–16 kpc with a median value of 8.6 kpc. This is the largest sample of galaxies producing Mg ii absorption at such low impact parameters. These quasar–galaxy pairs are ideal for probing the disc–halo interface. At such impact parameters, we do not find any anticorrelation between rest equivalent width (REW) of Ca ii, Mn ii, Fe ii, Mg ii, and Mg i absorption and impact parameter. These sight lines are typically redder than those of strong Mg ii absorbers, with the colour excess, E(B − V) for our sample ranging from −0.191 to 0.422, with a median value of 0.058. In the E(B − V) versus W3935 plane, GOTOQs occupy the same region as Ca ii absorbers. For a given E(B − V), we find larger W3935 than what has been found in the Milky Way, probably due to a smaller dust-to-gas ratio in GOTOQs. Galaxy parameters could be measured for twelve cases, and their properties seem to follow the trends found for strong Mg ii absorbers. Measuring the host galaxy properties for the full sample using HST photometry or AO-assisted ground-based imaging is important to gain insights into the relationship between the stellar mass of galaxies and the metal line REW distributions at low impact parameters.

Astronomy & Astrophysics↗
DOE OSTI2022

Host genotype controls ecological change in the leaf fungal microbiome

Leaf fungal microbiomes can be fundamental drivers of host plant success, as they contain pathogens that devastate crop plants and taxa that enhance nutrient uptake, discourage herbivory, and antagonize pathogens. We measured leaf fungal diversity with amplicon sequencing across an entire growing season in a diversity panel of switchgrass ( Panicum virgatum ). We also sampled a replicated subset of genotypes across 3 additional sites to compare the importance of time, space, ecology, and genetics. We found a strong successional pattern in the microbiome shaped both by host genetics and environmental factors. Further, we used genome-wide association (GWA) mapping and RNA sequencing to show that 3 cysteine-rich receptor-like kinases (crRLKs) were linked to a genetic locus associated with microbiome structure. We confirmed GWAS results in an independent set of genotypes for both the internal transcribed spacer (ITS) and large subunit (LSU) ribosomal DNA markers. Fungal pathogens were central to microbial covariance networks, and genotypes susceptible to pathogens differed in their expression of the 3 crRLKs, suggesting that host immune genes are a principal means of controlling the entire leaf microbiome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Integrated Fuel Cycle Materials and Chemistry Program (FY21 Plutonium Science Task Report)

Task 2 of the IFCMCP was designed to utilize vibrational spectroscopy, microscopy, X-ray diffraction, and calorimetry to explore the spectroscopic, structural, and chemical properties of plutonium compounds relevant to the nuclear fuel cycle. An important precursor to this work is production of fresh, high-quality plutonium samples. Given the health hazards and material accountability associated with plutonium, sample production is not trivial and production experiments require extensive planning and coordination by research and support staff. Further, because alpha-emissions from plutonium produce time- and dose dependent radiolysis resulting in structural defects, particularly in the presence of water, freshly prepared plutonium samples must be carefully packaged and analyzed with urgency following their production. In FY21, SRNL and UND engaged in numerous research studies involving production and subsequent characterization of plutonium dioxide, plutonium fluoride, plutonium oxalate, and plutonium nitrate. Specific efforts involving each of these compounds are described in detail in the body of this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Large Eddy Simulation of the Diurnal Cycle of Shallow Convection in the Central Amazon

Climate models often face challenges in accurately simulating the daily precipitation cycle over tropical land areas, particularly in the Amazon. One contributing factor may be the incomplete representation of the diurnal evolution of shallow cumulus (ShCu) clouds. This study aimed to enhance the understanding of the diurnal cycles of ShCu clouds—from formation to maturation and dissipation—over the Central Amazon (CAMZ). Using observational data from the Green Ocean Amazon 2014 (GoAmazon) campaign and large eddy simulation (LES) modeling, we analyzed the diurnal cycles of six selected pure ShCu cases and their composite behavior. Our results revealed a well-defined cycle, with cloud formation occurring between 10 and 11 local time (LT), maturity from 13 to 15 LT, and dissipation by 17–18 LT. The vertical extent of the liquid water mixing ratio and the intensity of the updraft mass flux were closely associated with increases in turbulent kinetic energy (TKE), enhanced buoyancy flux within the cloud layer, and reduced large-scale subsidence. We further analyzed the diurnal cycles of the convective available potential energy (CAPE), the convective inhibition (CIN), the Bowen ratio (BR), and the vertically integrated TKE in the mixed layer (ITKE-ML), exploring their relationships with the cloud base mass flux (Mb) and cloud depth across the six ShCu cases. ITKE-ML and Mb exhibited similar diurnal trends, peaking at approximately 14–15 LT. However, no consistent relationships were found between CAPE (or BR) and Mb. Similarly, comparisons of the cloud depth with CAPE, BR, ITKE-ML, CIN, and Mb revealed no clear relationships. Smaller ShCu clouds were sometimes linked to higher CAPE and lower CIN. It is important to emphasize that these findings are preliminary and based on a limited sample of ShCu cases. Further research involving an expanded dataset and more detailed analyses of the TKE budget and synoptic conditions is necessary. Such efforts would yield a more comprehensive understanding of the factors influencing ShCu clouds’ vertical development.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1986

Sample band spreading phenomena in ground and space-based electrophoretic separators

Sample stream spreading in the transverse direction (direction perpendicular to the chamber center plane) is calculated for two ground-based and one space-based continuous flow electrophoresis chambers. The magnitude of transverse sample stream spreading is shown to be a function of the difference in electrical conductivity between the sample and curtain buffer. Sample/buffer conductivity mismatch distorts the normally uniform electrical field in the vicinity of the sample to produce transverse field components which, in turn, deflect sample material toward the chamber walls. These results indicate that nongravity effects are important and must be resolved in order for space-based continuous flow electrophoresis to achieve its maximum potential.

Rhodes, Percy H.↗
NASA NTRS1991

Production of organic compounds in plasmas: A comparison among electric sparks, laser-induced plasmas and UV light

In order to study the production of organic compounds in plasmas (and shocks), various mixtures of N2, CH4, and H2, modeling the atmosphere of Titan, were exposed to discrete sparks, laser-induced plasmas (LIP) and ultraviolet light. The yields of HCN and simple hydrocarbons were measured and compared to those calculated from a simple quenched thermodynamic equilibrium model. The agreement between experiment and theory was fair for HCN and C2H2. However, the yields of C2H6 and other hydrocarbons were much higher than those predicted by the model. Our experiments suggest that photolysis by ultraviolet light from the plasma is an important process in the synthesis. This was confirmed by the photolysis of gas samples exposed to the light, but not to the plasma or shock waves. The results of these experiments demonstrate that, in addition to the well-known efficient synthesis of organic compounds in plasmas, the yields of saturated species, e.g., ethane, may be higher than predicted by theory and that LIP provide a convenient and clean way of simulating planetary lightning and impact plasmas in the laboratory.

Scattergood, T. W.↗
NASA NTRS2013

Multimode Directional Coupler for Utilization of Harmonic Frequencies from TWTAs

A novel waveguide multimode directional coupler (MDC) intended for the measurement and potential utilization of the second and higher order harmonic frequencies from high-power traveling wave tube amplifiers (TWTAs) has been successfully designed, fabricated, and tested. The design is based on the characteristic multiple propagation modes of the electrical and magnetic field components of electromagnetic waves in a rectangular waveguide. The purpose was to create a rugged, easily constructed, more efficient waveguide- based MDC for extraction and exploitation of the second harmonic signal from the RF output of high-power TWTs used for space communications. The application would be a satellitebased beacon source needed for Qband and V/W-band atmospheric propagation studies. The MDC could function as a CW narrow-band source or as a wideband source for study of atmospheric group delay effects on highdata- rate links. The MDC is fabricated from two sections of waveguide - a primary one for the fundamental frequency and a secondary waveguide for the second harmonic - that are joined together such that the second harmonic higher order modes are selectively coupled via precision- machined slots for propagation in the secondary waveguide. In the TWTA output waveguide port, both the fundamental and the second harmonic signals are present. These signals propagate in the output waveguide as the dominant and higher order modes, respectively. By including an appropriate mode selective waveguide directional coupler, such as the MDC presented here at the output of the TWTA, the power at the second harmonic can be sampled and amplified to the power level needed for atmospheric propagation studies. The important conclusions from the preliminary test results for the multimode directional coupler are: (1) the second harmonic (Ka-band) can be measured and effectively separated from the fundamental (Ku-band) with no coupling of the latter, (2) power losses in the fundamental frequency are negligible, and (3) the power level of the extracted second harmonic is sufficient for further amplification to power levels needed for practical applications. It was also demonstrated that third order and potentially higher order harmonics are measurable with this device. The design is frequency agnostic, and with the appropriate choice of waveguides, is easily scaled to higher frequency TWTs. The MDC has the same function but with a number of important advantages over the conventional diplexer.

Simmons, Rainee N.↗
NASA NTRS2015

Development, Validation, and Application of OSSEs at NASA/GMAO

During the past several years, NASA Goddard's Global Modeling and Assimilation Office (GMAO) has been developing a framework for conducting Observing System Simulation Experiments (OSSEs). The motivation and design of that framework will be described and a sample of validation results presented. Fundamentals issues will be highlighted, particularly the critical importance of appropriately simulating system errors. Some problems that have just arisen in the newest experimental system will also be mentioned.

OSSE↗
NASA NTRS2014

Combustion of Solids in Microgravity: Results from the BASS-II Experiment

The Burning and Suppression of Solids-II (BASS-II) experiment was performed on the International Space Station. Microgravity combustion tests burned thin and thick flat samples, acrylic slabs, spheres, and cylinders. The samples were mounted inside a small wind tunnel which could impose air flow speeds up to 53 cms. The wind tunnel was installed in the Microgravity Science Glovebox which supplied power, imaging, and a level of containment. The effects of air flow speed, fuel thickness, fuel preheating, and oxygen concentration on flame appearance, growth, spread rate, and extinction were examined in both the opposed and concurrent flow configuration. The flames are quite sensitive to air flow speed in the range 0 to 5 cms. They can be sustained at very low flow speeds of less than 1 cms, when they become dim blue and stable. In this state they are not particularly dangerous from a fire safety perspective, but they can flare up quickly with a sudden increase in air flow speed. Including earlier BASS-I results, well over one hundred tests have been conducted of the various samples in the different geometries, flow speeds, and oxygen concentrations. There are several important implications related to fundamental combustion research as well as spacecraft fire safety. This work was supported by the NASA Space Life and Physical Sciences Research and Applications Division (SLPSRA).

Combustion↗
NASA NTRS2019

MISSE-11 Ground Experiment Control

Back during the Apollo missions, when astronauts were being sent to the moon to explore and further scientific knowledge by conducting experiments and collecting samples for scientists back on Earth, they were faced with a surprising problem. It was discovered that the moon’s surface is covered with dust that has electrostatic properties, which would stick to suit and equipment. This hindered the functionality of the astronauts’ space suits, solar panels, optical instruments, among other exposed surfaces due to the jagged geometry of the dust which would damage said equipment. To resolve this issue, the Electrostatics and Surface Physics Laboratory (ESPL) came up with the solution of using an Electrodynamic Dust Shield (EDS)1 that uses electrostatic forces to move particles across a surface. Varieties of this dust shield have been developed for different applications. The purpose of the Materials International Space Station Experiments 11 (MISSE-11) is to experiment a payload that contains the dust mitigation technology to be flown to space for one year and an identical payload will be on earth, under vacuum, in the Electrostatics and Surface Physics Laboratory. The space payload was prepared prior to our arrival and shipped to fly on the International Space Station (ISS). The payload staying on the ground is going to act as a control for the experiment so that we may compare it to the payload that was flown in space. During our time at Kennedy Space Center, we were tasked with building and start testing the ground control unit of the MISSE-11 payload. To complete our task for the ground control unit, we constructed a new vacuum chamber setup and added automated aspects, procured the necessary flight electronics, designed and communicated for the machining of the payload frame, and performed functional and thermal testing on the electronics to the same original operational standards. Some modifications were made where possible, without affecting the performance of the samples, to be efficient with the production of the control unit while keeping important aspects identical. The experiment is now nearly complete, and testing will be starting within the next few weeks.

MISSE↗
NASA NTRSDate not supplied

Assessing the Viability of Using GEOS-Forecast Product for Landslides Forecasting: A Step Toward Early Warning System

Landslides across the globe are mostly triggered by extreme rainfall events affecting infrastructure, transportation and livelihoods. The risks are rarely quantified due to lack of data, analytical skills and limited modeling techniques. Knowledge of local to global scale landslide risks provides communities and national agencies the ability to adapt disaster management practices to mitigate and recover from these hazards. In order to minimize the risks and improve characterization of community resilience to landslides, it is vital to have reliable information about the factors triggering landslides such as rainfall, well ahead in time. Forecasting potential landslide activity and impacts can be achieved through reliable precipitation forecast models. However, it is challenging because of the temporal and spatial variability of precipitation, an important factor in triggering landslides. Evaluation of the precipitation field, associated errors, and sampling uncertainties is integral for development of efficient and reliable landslide forecasting and early warning system. This study develops a methodology to assess the viability of using a precipitation field provided by a global model and its potential integration in the landslide forecasting system. The study focuses on the comparison between the IMERG (Integrated Multi-satellitE Retrievals for Global Precipitation Mission) and GEOS (NASA Goddard Earth Observing System)-Forecast product over contiguous United States (CONUS). GEOS model assimilates new observations every 6 hours, at 00, 06, 12, and 18 UTC. The framework is tested on the GEOS-Forecast Model initialized at 00 UTC using daily IMERG early product as reference using both categorical and continuous statistics. The categorical statistics includes the probability of detection (POD), success ratio (SR), critical success index (CSI), and the hit bias. Continuous statistics such as correlation, normalized standard deviation, and root-mean-square error are also evaluated. Overall, GEOS-Forecast precipitation field over the analysis period (~1 year) show underestimation with respect to IMERG early for the daily accumulated rainfall. However, the probability distribution function and cumulative distribution function of both show similar patterns. In terms of correlations, POD, SR, CSI, hit bias, the performance varies with respect to the rainfall threshold used.

Sana Khan↗
NASA NTRSDate not supplied

Geopolymer Lunar Concrete under Reduced-Pressure Curing and Vacuum Exposure

Geopolymer concrete has emerged as a promising material for constructing habitats, roads, landing pads, and other necessary infrastructure on the lunar surface. Proper in-situ resource utilization (ISRU) is an important aspect of any candidate lunar construction material. Geopolymer concrete is effective at ISRU, as the lunar regolith can be used in the “as found” condition and mixed with an alkaline solution, such as sodium silicate and sodium hydroxide, which could also be mostly produced in-situ. It is envisioned that any concrete material on the lunar surface would be deposited with additive manufacturing techniques and would require a temporary environmental enclosure to mitigate the harsh lunar environment during construction and curing, such as pressure and temperature. Data are needed to set a benchmark for the conditions to be achieved within the deployable environmental enclosure during printing, as well as the resultant material properties after the enclosure is removed. This novel study investigated the influence of reduced atmospheric pressures during the initial curing period on the compressive strength of geopolymer lunar concrete created with two types of lunar regolith simulant. The simulants used in the study represent the regolith for the lunar mare (OPRL2N) and lunar highlands (OPRH2N) regions. Results show a noticeable decline in strength with a reduction in pressure and visible degradation. After the deployable environmental enclosure is removed from the printed segment of infrastructure on the lunar surface, it would then be exposed to the harsh vacuum environment. To understand the importance of curing time required within the deployable enclosure before it is removed, samples were cast and cured for different lengths of time and then exposed to a vacuum chamber capable of achieving 100 mTorr. Control samples were also cast at the same time but left in a standard laboratory environment after curing. The weight change and compressive strength as a function of time in the vacuum chamber were monitored for up to 56 days. The results showed that exposure to the vacuum limits further reaction and strength gain in comparison to control samples left in the laboratory environment. This research is in strong alignment with the 2020 NASA Technology Taxonomy materials area (12.1) and the in-situ resource utilization area (7.1), as it provides necessary data on the geopolymer lunar concrete material to support safe and sustainable options for maintaining a human presence on the Moon.

Moon to Mars Planetary Autonomous Construction Tec↗