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NASA NTRS2004

Energetics of Single Substitutional Impurities in NiTi

Shape-memory alloys are of considerable current interest, with applications ranging from stents to Mars rover components. In this work, we present results on the energetics of single substitutional impurities in B2 NiTi. Specifically, energies of Pd, Pt, Zr and Hf impurities at both Ni and Ti sites are computed. All energies are computed using the CASTEP ab initio code, and, for comparison, using the quantum approximate energy method of Bozzolo, Ferrante and Smith. Atomistic relaxation in the vicinity of the impurities is investigated via quantum approximate Monte Carlo simulation, and in cases where the relaxation is found to be important, the resulting relaxations are applied to the ab initio calculations. We compare our results with available experimental work.

Binary Alloys↗

NASA NTRS1992

Effect of Microgravity on Several Visual Functions During STS Shuttle Missions

Many astronauts and cosmonauts have commented on apparent changes in their vision while on-orbit. Comments have included statements of supposed improved distance acuity to decreased near vision capability. The purpose of this study was to assess not only changes in visual acuity, but expand the assessment to several other visual functions for a comprehensive battery of tests. Vision was assessed using an innovative device, the Visual Function Tester - Model 1 (VFT-1), which presents the tests at optical infinity and includes critical flicker fusion, stereopsis to 10 seconds-of-arc, visual acuity in small steps to 20/7.7, cyclophoria, lateral and vertical phoria, and retinal rivalry. Vision was assessed 2 times prelaunch at L-14 days and L-7 days, 3-4 times while on-orbit, at landing, and 2 times postlanding at L+3 days and L+7 days. There were 26 STS astronauts that participated, with data on 20 astronauts used for analysis. There was a typical wide variability between subjects in baseline visual performance for each parameter at the prelaunch sessions. There was a slight but statistically significant decrease in visual acuity while on-orbit that was not clinically significant. For stereopsis (i.e. depth perception), there was a small improvement on-orbit that was not statistically significant. There were no changes during space flight for any of the other visual parameters tested. A few individuals showed apparent changes in acuity and stereopsis. The possibility exists that microgravity affects the visual system of some individuals differently, as with space adaptation syndrome. Repeat data on 2 astronauts showed good repeatability between the 2 flights. These results pertain to only short term space flight on the STS shuttle, and longer flights are necessary to determine if there is any relationship between mission duration and these visual functions.

Melvin R O'Neal↗

DOE OSTI2026

Superconducting Material Growth for Radio-Frequency (RF) Cavities

Superconducting radio-frequency (SRF) cavities, usually manufactured from Niobium (Nb), are vital components of modern particle accelerators because of their ability to achieve high acceleration gradients with little power dissipation. Naturally forming Nb surface oxides significantly alter cavity performance by changing surface resistance. A nondestructive characterization of oxide thickness is helpful for relating surface processing treatments to cavity performance. This work develops a protocol to measure Nb oxide thickness using Angle-Resolved X-ray Photoelectron Spectroscopy (ARXPS) while correcting instrumental errors. Using uniform bulk standard samples (Silver, Aluminum oxide, and Germanium), we determined a baseline correction factor to account for analyzer-related intensity evolution as the measurement angle increases. The correction factor was then applied to Nb 3d ARXPS data. Applying the Strohmeier equation to the corrected data yielded a Nb2O5 thickness of 6.04 nm, closely matching the 5.5 (±.05) nm value obtained from cross-sectional transmission electron microscopy. Our approach will bring a method to incorporate inherent errors in the thickness measurements using ARXPS and can be broadly applied to improve the accuracy of thickness measurements in a wide range of heterostructures.

Lambert, Nathan [Fermilab]↗

DOE OSTI2025

Echo state network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDWs) in a semiclassical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Furthermore, our work opens avenues for efficient dynamical modeling of pattern formations in functional electron materials.

2-dimensional systems↗

NASA NTRS2001

Performance of Li-Ion Cells Under Battery Voltage Charge Control

A study consisting of electrochemical characterization and Low-Earth-Orbit (LEO) cycling of Li-Ion cells from three vendors was initiated in 1999 to determine the cycling performance and to infuse the new technology in the future NASA missions. The 8-cell batteries included in this evaluation are prismatic cells manufactured by Mine Safety Appliances Company (MSA), cylindrical cells manufactured by SAFT and prismatic cells manufactured by Yardney Technical Products, Inc. (YTP). The three batteries were cycle tested in the LEO regime at 40% depth of discharge, and under a charge control technique that consists of battery voltage clamp with a current taper. The initial testing was conducted at 20 C; however, the batteries were cycled also intermittently at low temperatures. YTP 20 Ah cells consisted of mixed-oxide (Co and Ni) positive, graphitic carbon negative, LIPF6 salt mixed with organic carbonate solvents. The battery voltage clamp was 32 V. The low temperature cycling tests started after 4575 cycles at 20 C. The cells were not capable of cycling. at low temperature since the charge acceptance at battery level was poor. There was a cell in the battery that showed too high an end-of-charge (EOC) voltage thereby limiting the ability to charge the rest of the cells in the battery. The battery has completed 6714 cycles. SAFT 12 Ah cells consisted of mixed-oxide (Co and NO positive, graphitic carbon negative, LiPF6 salt mixed with organic carbonate solvents. The battery voltage clamp was for 30.8 V. The low temperature cycling tests started after 4594 cycles at 20 C. A cell that showed low end of discharge (EOD) and EOC voltages and three other cells that showed higher EOC voltages limited the charge acceptance at the selected voltage limit during charge. The cells were capable of cycling at 10 C and 0 C but the charge voltage limit had to be increased to 34.3 V (4.3 V per cell). The low temperature cycling may have induced poor chargeability since the voltage had to be increased to achieve the required charge input. The battery has completed 6226 cycles. MSA 10 Ah cells consisted of Co oxide positive, graphitic carbon negative, LiPF6 salt mixed with organic carbonate solvents. The battery voltage clamp was 30.8 V. The low temperature cycling tests were started after 2182 cycles at 20 C. The cells were capable of cycling at 10 C and 0 C. Like SAFT, the voltage limit on charge had to be increased to 36 V (4.5 V per cell). There was a cell (cell S/N 13) in the battery that showed poor performance features such as low EOD voltage and high EOC voltage. The battery has completed 3441 cycles. A reconditioning procedure that consisted of C15 charge to a taper current of C/100 and C/20 discharge improved the voltage behavior of SAFT and MSA cells with no significant effect on YTP cells. We have demonstrated that the charge operation with VT clamp at battery rather than at cell level is feasible for onboard Li-Ion battery operation.

Rao, Gopalakrishna M.↗

NASA NTRS2026

A Study of the Aligned-Grid Retarding Potential Analyzer for Electric Propulsion Applications

During the development of energy analyzers for NASA’s Solar Electric Propulsion Plasma Diagnostics Package, detailed studies were performed to compare the benefits and drawbacks of different types of gridded potential analyzers. In particular, modeling and testing were performed on three types of retarding potential analyzer with aligned grids, and one type with unaligned grids. Additionally, a type of gridded energy analyzer was tested. Analyses of the model and test results showed that manufacturing an analyzer with aligned grids required greater precision and knowledge than other analyzers. A properly designed analyzer with aligned grids exhibited superior signal level, acceptance angle control, energy resolution, and compactness compared to an analyzer with unaligned grids. Additionally, the gridded energy analyzer was found to accept a broad range of incidence angles while having superior signal, energy resolution, and compactness compared to retarding potential analyzer with unaligned grid. This article describes the basic design principles deployed in the study, the associated modeling work, and the characterization tests that were performed. The article summarizes the benefits and drawbacks associated with each type of energy analyzer tested.

Electric Propulsion↗

NASA NTRS1992

Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) will assist in understanding the mechanisms involved, and will lead to improved reliability in predicting in-space durability of materials based on ground laboratory testing. A computational simulation of atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of assumed mechanistic behavior of atomic oxygen and results of both ground laboratory and LDEF data, a predictive Monte Carlo model was developed which simulates the oxidation processes that occur on polymers with applied protective coatings that have defects. The use of high atomic oxygen fluence-directed ram LDEF results has enabled mechanistic implications to be made by adjusting Monte Carlo modeling assumptions to match observed results based on scanning electron microscopy. Modeling assumptions, implications, and predictions are presented, along with comparison of observed ground laboratory and LDEF results.

Bruce A. Banks↗

NASA NTRS2025

Airports as Energy Nodes Activity Summary

Advanced aircraft concepts that use non-traditional aviation energy storage methods such as batteries or cryogenic hydrogen are in development and expected to enter regular service at airports worldwide within the next decade. The energy needs for these aircraft may quickly overwhelm the existing energy infrastructure at airports, particularly at smaller and more remote facilities. Without energy upgrades, these airports will not be able to host these advanced vehicles, but without the advanced vehicle traffic, these airports will not have the rationale or funding to build up their energy infrastructure. The Airports as Energy Nodes (ÆNodes) activity, a collaboration between the National Aeronautics and Space Administration (NASA) and the National Renewable Energy Laboratory (NREL), was executed to understand and model the energy needs that advanced aircraft concepts may levy on these smaller airports, determine cost-effective approaches to enhance the airport energy infrastructure, and demonstrate the enhanced resilience of these energy infrastructure upgrades to the airport and surrounding community via “digital twin” simulation at relevant energy and dynamic time scales. The ÆNodes team also investigated future reference aircraft designs and materials to enable cryogenic hydrogen storage for aircraft. The ÆNodes team conducted analysis at two U.S. airport partner sites — Winchester Regional Airport in Winchester, Virginia, and Tweed/New Haven Airport in New Haven, Connecticut. The goal of this partnership was to develop data and reference infrastructure designs that could accommodate advanced aircraft in the future at these airports while also enhancing the resiliency of the energy supply to the surrounding airport community, which could be used to capture funding to enable the infrastructure upgrades. Over the course of the study, a method was developed to estimate air traffic requiring advanced energy services over the course of a year using a mix of historical data and companion studies on advanced aircraft transportation networks. The study has concluded at NASA but continues at NREL, who will develop a final report discussing the energy infrastructure upgrades and digital twin results. Preliminary results indicate that unrestricted adoption of advanced battery-electric aircraft may double traffic at these airports and increase peak daily power usage by an order of magnitude, while increase electricity energy needs by a factor of two to four. The infrastructure upgrades necessary to accommodate these increased energy needs could be used to provide enhanced energy services to the airport community to offset the cost and increase the utility of the upgrades, which will be described in the NREL final report.

Airports↗

DOE OSTI2025

Direct observation of distinct bulk and edge nonequilibrium spin accumulation in ultrathin MoTe 2

Low-symmetry two-dimensional (2D) topological materials such as MoTe 2 host efficient charge-to-spin conversion (CSC) mechanisms that can be harnessed for novel electronic and spintronic devices. However, the nature of the various CSC mechanisms and their correlation with underlying crystal symmetries remain unsettled. In this work, we use local spin-sensitive electrochemical potential measurements to directly probe the spatially dependent nonequilibrium spin accumulation in MoTe 2 flakes down to four atomic layers. We are able to clearly disentangle contributions originating from the spin Hall and Rashba-Edelstein effects and uncover an abundance of unconventional spin polarizations that develop uniquely in the sample bulk and edges with decreasing thickness. Using ab-initio calculations, we construct a unified understanding of all the observed CSC components in relation to the material dimensionality and stacking arrangement. Our findings not only illuminate previous CSC results on MoTe 2 but also have important ramifications for future devices that can exploit the local and layer-dependent spin properties of this 2D topological material.

Science & Technology - Other Topics↗

NASA NTRS2026

Artemis Suit Material Effects of Calendaring Woven Fabrics on Dust Resistance

This paper presents one element of an ongoing NASA technology-infusion effort to design, fabricate, and test a new outer shell fabric for a lunar Extravehicular Activity (EVA) space suit, a critical component of sustained lunar exploration. A primary challenge for suit textiles is preventing lunar dust, which is highly abrasive, electrostatically charged, and capable of infiltrating even tightly woven fabrics from penetrating the Environment Protection Garment (EPG) and compromising suit durability and astronaut safety. To enhance dust-blocking performance, the Artemis Suit Materials Team investigated calendaring, a continuous roll to roll mechanical finishing process in which fabric passes through heated rollers under high pressure to compress and flatten the weave, thereby reducing pore size and modifying surface texture without significantly affecting other properties. Targeted testing of calendared Teflon™ T-162 and Ortho Fabric samples provides new insight into how calendaring influences dust resistance, informing future material development and advancing EVA suit technology for long-duration lunar missions.

Dust↗

DOE OSTI2026

Interaction of Soil pH and Mineralogy Controls Soil Organic Matter Persistence through Changes in the Composition and Amount of Microbial Necromass

Microbial necromass–mineral associations are key to long-term soil organic matter (SOM) persistence. However, how soil pH and mineralogy interact to regulate SOM stability remains poorly understood. Here, we used artificial soils to test how three clay minerals (bentonite, kaolinite, and goethite), adjusted to four pH levels (5–8), affect microbial activity (respiration), microbial physiology (carbon use efficiency, CUE), microbial-derived residue material (necromass), and the formation and stability of mineral-associated organic matter (MAOM). Artificial soils were inoculated with a rhizosphere-derived microbial community cultured under the same pH conditions and on two representative simulated exudate types (organic acids and carbohydrates) and incubated for 6 weeks. In two complementary experiments, we added necromass from known microbial taxa to the same minerals across pH levels to isolate the role of necromass chemistry and loading. We found that soil pH shaped MAOM chemistry by altering microbial activity and necromass composition. In interaction with mineral type, pH also controlled MAOM thermal stability. Higher necromass loading weakened mineral-organic bonding, reducing MAOM stability, consistent with zonal mineral–organic interaction models. Our results demonstrate that microbial activity, rather than carbon use efficiency, better predicts MAOM formation and that pH-dependent necromass composition and loading govern MAOM persistence. These findings advance mechanistic understanding of SOM stabilization and have implications for predicting soil carbon dynamics under shifting environmental conditions.

carbon use efficiency↗

NASA NTRS1977

A Survey of Lunar Rock Types and Comparison of the Crusts of Earth and Moon

The principal known types of lunar rocks are briefly reviewed, and their chemical relationships discussed. In the suite of low-KREEP highland rocks, Fe/(Fe + Mg) in the normative mafic minerals increases and the albite content of normative plagioclase decreases as the total amount of normative plagioclase increases, the opposite of the trend predicted by the Bowen reaction principle. Lunar highland samples analyzed are uniformly distributed in this sequence, in which normative plagioclase contents range from ~ 40 percent to ~ 100 percent. The distribution of compositions of rocks from terrestrial layered mafic intrusives is substantially different: here the analyses fall in several discrete clusters (anorthositic rocks, norites, granophyres and ferrogabbros, ultramafics), and the chemical trends noted above are not reproduced. It is suggested that the observed trends in lunar highland rocks could be produced by crystal fractionation in a deep global surface magma system if (1) plagioclase tended to float, upon crystallization, and (2) the magma was kept agitated and well mixed (probably by thermal convection) until crystallization was far advanced and relatively little residual liquid was left. When such a system was finally immobilized, the Fe-, Na-rich residual liquid would produce Fe-rich mafic minerals in the upper levels of the system, but could not much alter the composition of abundant calcic plagioclase. Conversely, the same liquid would produce sodic plagioclase deep in the sequence, but could not much alter the composition of abundant magnesian mafic minerals. After the crustal system solidified, but before extensive cooling had developed a thick, strong lithosphere, mantle convection was able to draw portions of the lunar anorthositic crust down into the mantle in a manner analogous to the present-day behavior of the terrestrial mantle and crust. At depth, the crustal material was heated; KREEP-rich norite was extracted by partial melting and erupted at the surface as a lava, analogous to terrestrial andesite eruptions.

John A Wood↗

NASA NTRSDate not supplied

Material Properties and Modeling of Room Temperature Vulcanizing Silicone

Room Temperature Vulcanizing silicone (RTV) is a high-temperature adhesive that has successfully been used as a gap-filler between Thermal Protection System (TPS) tiles for heatshields on numerous missions. It is also used to bond instrumentation plugs such as temperature and pressure sensors into the heatshields. While RTV has been traditionally assumed to be a non-porous and non-ablating material, numerous experiments have shown that RTV pyrolyzes and becomes highly porous as it is heated. Heating RTV has also shown swelling, or intumescence, which can pose unique problems that lead to roughness induced boundary-layer transition, surface oxide formation and contamination of heat shield sensors. Therefore, it is crucial to understand and model the intumescence phenomenon of RTV. As data for RTV material properties is limited, the first step in modeling RTV is to collect material properties such as pyrolysis mass-loss, microstructure change, virgin and char porosity, etc. which was performed in our initial study. Additionally, thermomechanical properties such as Young’s modulus and Poisson ratio are required for modeling the intumescence of RTV, which were taken from literature and the coefficient of thermal expansion was collected using in-situ heating and Micro Computed Tomography (µ-CT) in previous studies. Finally, numerous other properties such as pyrolysis gas properties, virgin and char thermal conductivity and specific heat were compiled from previous experiments and literature into a material database that can be used for simulations. In Porous Material Analysis Toolbox based on OpenFOAM (PATO) [4], structural mechanics coupled with material response was used for simulating the intumescence of RTV as it is heated. However, since the permeability of the material is very low, the pyrolysis gas creates an internal pressure build-up as the material is being heated, significantly contributing to the deformation of the material. To correctly characterize this phenomenon, additional physics models were implemented into PATO's stress analysis solver, and results were compared with RTV dilatometry test data as a preliminary verification case. Future work will include experiments of RTV at the Plasmatron X facility and the in-situ heating cell with µ-CT, and improvement of simulation tools to more accurately model RTV intumescence.

PATO↗

DOE OSTI2023

Electron Microscopy Studies of Soft Nanomaterials

This review highlights recent efforts on applying electron microscopy (EM) to soft (including biological) nanomaterials. We will show how developments of both the hardware and software of EM have enabled new insights into the formation, assembly, and functioning (e.g., energy conversion and storage, phonon/photon modulation) of these materials by providing shape, size, phase, structural, and chemical information at the nanometer or higher spatial resolution. Specifically, we first discuss standard real-space two-dimensional imaging and analytical techniques which are offered conveniently by microscopes without special holders or advanced beam technology. The discussion is then extended to recent advancements, including visualizing three-dimensional morphology of soft nanomaterials using electron tomography and its variations, identifying local structure and strain by electron diffraction, and recording motions and transformation by in situ EM. On these advancements, we cover state-of-the-art technologies designed for overcoming the technical barriers for EM to characterize soft materials as well as representative application examples. Here, the even more recent integration of machine learning and its impacts on EM are also discussed in detail. With our perspectives of future opportunities offered at the end, we expect this review to inspire and stimulate more efforts in developing and utilizing EM-based characterization methods for soft nanomaterials at the atomic to nanometer length scales in academic research and industrial applications.

Imaging↗

DOE OSTI2025

From Pollutant Removal to Renewable Energy: MoS2-Enhanced P25-Graphene Photocatalysts for Malathion Degradation and H2 Evolution

The widespread presence of pesticides—especially malathion—in aquatic environments presents a major obstacle to conventional remediation strategies, while the ongoing global energy crisis underscores the urgency of developing renewable energy sources such as hydrogen. In this context, photocatalytic water splitting emerges as a promising approach, though its practical application remains limited by poor charge carrier dynamics and insufficient visible-light utilization. Herein, we report the design and evaluation of a series of TiO2-based ternary nanocomposites comprising commercial P25 TiO2, reduced graphene oxide (rGO), and molybdenum disulfide (MoS2), with MoS2 loadings ranging from 1% to 10% by weight. The photocatalysts were fabricated via a two-step method: hydrothermal integration of rGO into P25 followed by solution-phase self-assembly of exfoliated MoS2 nanosheets. The composites were systematically characterized using X-ray diffraction (XRD), Raman spectroscopy, transmission electron microscopy (TEM), UV-Vis diffuse reflectance spectroscopy (DRS), and photoluminescence (PL) spectroscopy. Photocatalytic activity was assessed through two key applications: the degradation of malathion (20 mg/L) under simulated solar irradiation and hydrogen evolution from water in the presence of sacrificial agents. Quantification was performed using UV-Vis spectroscopy, gas chromatography–mass spectrometry (GC-MS), and thermal conductivity detection (GC-TCD). Results showed that the integration of rGO significantly enhanced surface area and charge mobility, while MoS2 served as an effective co-catalyst, promoting interfacial charge separation and acting as an active site for hydrogen evolution. Nearly complete malathion degradation (~100%) was achieved within two hours, and hydrogen production reached up to 6000 µmol g−1 h−1 under optimal MoS2 loading. Notably, photocatalytic performance declined with higher MoS2 content due to recombination effects. Overall, this work demonstrates the synergistic enhancement provided by rGO and MoS2 in a stable P25-based system and underscores the viability of such ternary nanocomposites for addressing both environmental remediation and sustainable energy conversion challenges.

Chemistry↗

DOE OSTI2026

Understanding Photovoltage Deficits in Electrochemically Grown Tin Sulfide (SnS) Thin-Film Photovoltaic Devices

Tin(II) sulfide (SnS) is an earth-abundant semiconductor with a direct optical bandgap of ca. 1.1 eV, which makes it a promising absorber material for thin-film photovoltaic (PV) devices. However, existing devices have significant photovoltage deficits, which may be related to the anisotropic structure of the layered Herzenbergite SnS crystal structure. Here, we explore electrochemical deposition as a near room temperature path to oriented SnS crystal films on Mo and FTO substrates and employ vibrating Kelvin probe surface photovoltage (SPV) spectroscopy and J–V measurements to identify conversion losses in them. According to grazing-incidence X-ray diffraction and SEM, the SnS films consist of crystalline microplates with preferred orientation in the [111] and [001] directions. The bare SnS films produce only small and irreversible surface photovoltage signals, due charge trapping and recombination at the SnS surfaces, but addition of a CdS buffer layer lowers the charge recombination rate by 2 orders of magnitude and increases both the photovoltage and its reversibility due to the formation of a p-SnS/n-CdS junction. According to SPV, the FTO/SnS back interface (but not the Mo/SnS interface) forms a detrimental p–n junction that hinders hole transfer. Additional shunting through the relatively open microcrystal SnS layers and a lower conductivity of the FTO substrate explain the low power conversion efficiencies of the final devices (0.18 and 0.10% for the Mo and FTO substrates). Altogether, this work establishes a low-temperature path for the fabrication of crystalline SnS film-based solar cells and identifies the bottlenecks that limit high photoconversion efficiency.

deposition↗

NASA NTRS1992

LDEF materials overview

The flight and retrieval of the LDEF provided an opportunity for the study of the low earth orbit (LEO) environment and long-duration space environmental effects (SEE) on materials that is unparalleled in the history of the US space program. The 5-year, 9-month flight of the LDEF greatly enhanced the potential value of all materials on the LDEF to the international SEE community, compared to that of the original 1-year flight plan. The remarkable flight attitude stability of the LDEF enables specific analyses of various individual and combined effects of LEO environmental parameters on identical materials on the same vehicle. NASA recognized this potential by forming the LDEF Space Environmental Effects on Materials Special Investigation Group (MSIG) to address the greatly expanded materials and LEO space environment parameter analysis opportunities available in the LDEF structure, experiment trays, and corollary measurements, so that the combined value of all LDEF materials data to current and future space missions are addressed and documented. This presentation provides an overview of the interim LDEF materials findings of the principal investigators and the MSIG.

Bland A. Stein↗

NASA NTRS2026

Artemis Suit Material Effects of Calendaring Woven Fabrics on Dust Resistance

Dust↗