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At least 757 records · Page 42

Scattering of radio frequency waves by blobs in tokamak plasmas

The density fluctuations and blobs present in the edge region of magnetic fusion devices can scatter radio frequency (RF) waves through refraction, reflection, diffraction, and coupling to other plasma waves. This, in turn, affects the spectrum of the RF waves and the electromagnetic power that reaches the core of the plasma. The usual geometric optics analysis of RF scattering by density blobs accounts for only refractive effects. It is valid when the amplitude of the fluctuations is small, of the order of 10%, compared to the background density. In experiments, density fluctuations with much larger amplitudes are routinely observed, so that a more general treatment of the scattering process is needed. In this paper, a full-wave model for the scattering of RF waves by a blob is developed. The full-wave approach extends the range of validity well beyond that of geometric optics; however, it is theoretically and computationally much more challenging. The theoretical procedure, although similar to that followed for the Mie solution of Maxwell's equations, is generalized to plasmas in a magnetic field. Besides diffraction and reflection, the model includes coupling to a different plasma wave than the one imposed by the external antenna structure. In the model, it is assumed that the RF waves interact with a spherical blob. The plasma inside and around the blob is cold, homogeneous, and imbedded in a uniform magnetic field. After formulating the complete analytical theory, the effect of the blob on short wavelength electron cyclotron waves and longer wavelength lower hybrid waves is studied numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

New, improved analysis of correlation ECE data to accurately determine turbulent electron temperature spectra and magnitudes (invited)

Turbulent electron temperature fluctuation measurement using a correlation electron cyclotron emission (CECE) radiometer has become an important diagnostic for studying energy transport in fusion plasmas, and its use is widespread in tokamaks (DIII-D, ASDEX Upgrade, Alcator C-Mod, Tore Supra, EAST, TCV, HL-2A, etc.). The CECE diagnostic typically performs correlation analysis between two closely spaced (within the turbulent correlation length) ECE channels that are dominated by uncorrelated thermal noise emission. This allows electron temperature fluctuations embedded in the thermal noise to be revealed and fluctuation level and spectra determined. We have demonstrated a new, improved CECE coherency-based analysis for calculating the temperature fluctuation frequency spectrum and level, which has been verified both numerically through the simulation of synthetic ECE radiometer data and through analysis of experimental data from the CECE system on DIII-D. The new formulation places coherency-based analysis on a firm foundational footing and corrects some currently published methodologies. This new method accurately accounts for bias error in the coherence function and correctly calculates noise levels for a fixed data record length. It provides excellent accuracy in determining temperature fluctuation level (e.g., <10% error) even for a small realization number in the ensemble average. The method also has a smaller uncertainty (i.e., error bar) in the power spectrum when compared to the more standard cross-power method when evaluated at low coherency. Direct calculation of system noise level using correlation between randomized intermediate frequency signals is recommended.

Wang, G. (ORCID:0000000225739827)↗

Interpretation of the BRITE oscillation data of the hybrid pulsator ν Eridani: a call for the modification of stellar opacities

The analysis of the BRIght Target Explorer (BRITE) oscillation spectrum of the main-sequence early B-type star ν Eridani is presented in this paper. Only models with the modified mean opacity profile can account for the observed frequency ranges as well as for the values of some individual frequencies. The number of the κ-modified seismic models is constrained by the non-adiabatic parameter f, which is very sensitive to the opacity changes in the subphotospheric layers, where the pulsations are driven. We present an example of the model that satisfies all the above conditions. It seems that the OPLIB opacities are preferred over those from the OPAL and OP projects. Finally and moreover, we discuss additional consequences of the opacity modification, namely, an enhancement of the efficiency of convection in the Z bump as well as an occurrence of close radial modes which is a kind of avoided-crossing phenomenon common for non-radial modes in standard main-sequence models.

79 ASTRONOMY AND ASTROPHYSICS↗

Theory of resonant x-ray scattering with ultrafast intense pulses

Here, we present a time-dependent Schrödinger equation approach within a nonrelativistic quantum electrodynamics framework to investigate resonant x-ray scattering driven by intense x-ray pulses. This method enables us to explore how coherent x-ray electron dynamics influence scattering signals from Ne + . We account for both resonance fluorescence and elastic scattering channels, while also considering competing photoionization and inner-shell decay processes. By computing the angular distribution and energy spectrum of scattered photons, we uncover interference effects between elastic scattering and resonance fluorescence pathways. Notably, this interference results in a small asymmetry in the energy spectrum. We discuss the experimental potential for detecting signatures of interference. Our findings demonstrate that the x-ray Rabi dynamics can be used to control scattering responses and provide insights into interference mechanisms and scattering efficiency in high-intensity x-ray regimes.

Venkatesh, Akilesh [Argonne National Laboratory (A↗

Collective state of electrons and impurities with a spin

The problem of states of an electron system interacting with impurities that have a spin of 1/2 is considered. It is shown that in the calculation of the energy of the system, the electron spin-flip processes and the formation of electron–hole–impurity flip spin (hole against the background of electrons with another spin projection) play the major role. Such complexes are accumulated in the system (a sort of Bose condensate of complexes is formed); this reduces the energy of the system, which is a linear function of the initial interaction of an electron with the impurity spin (in contrast, for example, to the result obtained in perturbation theory). The hole-type excitation and the spin excitation have a gap in the spectrum. Small parameters of the problem are the interaction of electrons with impurity spins and the number of impurities. The electron–electron interaction is not taken into account. Impurities are assumed to be distributed at random, and calculations are performed using the known averaging over the positions of impurities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Methods and results of studies of the radiation spectra of megampere Z-pinches at the angara-5-1 facility

Methods and results of studies of the radiation spectra of high-current Z-pinches with different elemental compositions are presented. To examine a wide spectral range (E{sub hν} = 30–3000 eV), two diagnostics tools were used—a transmission grating and a reflecting mica crystal. The radiation characteristics of the pinch are determined by its elemental composition. For currents of 2–3 MA and low-Z elements (aluminum), the hard end of the radiation spectrum is represented by spectral lines with clearly pronounced K lines, while for high-Z elements (tungsten), the spectrum lies in the softer photon energy range and is quasi-continuous. Two methods of spectrum processing were used to determine the plasma parameters. The parameters of aluminum plasma were traditionally determined from the intensity ratios of the K lines taking into account the plasma transparency for these lines. The spectra of tungsten plasma were compared with the results of computer simulations of pinch compression with allowance for both magnetohydrodynamic and plasma radiation processes. The applicability of these methods of spectral analysis is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

New Routes for the Production of Fission Products and Their Separation from the Source Material for the Development of Realistic Nuclear Forensic Debris

In order to fully characterize the NIF neutron spectrum, SAND-II-SNL software was requested/received from the Radiation Safety Information Computational Center. The software is designed to determine the neutron energy spectrum through analysis of experimental activation data. However, given that the source code was developed in Sparcstation 10, it is not compatible with current version of FORTRAN. Accounts have been established through the Lawrence Livermore National Laboratory’s High Performance Computing in order to access different compiles for FORTRAN (e.g. pgf77, pgf90). Additionally, several of the subroutines included in the SAND-II-SNL package have required debugging efforts to allow for proper compiling of the code.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ACCURATE MODELING OF X-RAY EXTINCTION BY INTERSTELLAR GRAINS

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.

79 ASTRONOMY AND ASTROPHYSICS↗

Surface composition of Mercury from reflectance spectrophotometry

The controversies surrounding the existing spectra of Mercury are discussed together with the various implications for interpretations of Mercury's surface composition. Special attention is given to the basic procedure used for reducing reflectance spectrophotometry data, the factors that must be accounted for in the reduction of these data, and the methodology for defining the portion of the surface contributing the greatest amount of light to an individual spectrum. The application of these methodologies to Mercury's spectra is presented.

Vilas, Faith↗

On PAHs as interstellar grains - Infrared absorption coefficients

Consideration is given to the proposal that PAHs are the source of IR continuum and emission features and the visible diffuse bands. Absolute IR cross-sections have been obtained for eight PAHs. The results show that a thermal continuum is not consistent with the spectra obtained, and that an array of normal molecules shows a spectrum that is more complex than the observed spectrum. The cross-sections of the UV spectra are 2-3 orders of magnitude larger than those of the IR spectra. It is suggested that, to account for these observations, structure must be produced in the UV extinction curve.

Salisbury, D. W.↗

Spectral-luminosity evolution of active galactic nuclei and the cosmic X- and gamma ray background

Coherent electromagnetic dynamo acceleration processes, which act on charge particles within the context of black hole accretion disk scenarios, are generally regarded as the underlying central power source for active galactic nuclei (AGN). If the precursor active galaxies (PAG) for such AGN are formed at high redshift and contain initial seed black holes with mass approximately equal to 10(exp 4) solar masses, then the Eddington limited X-ray radiation emitted during their lifetime will undergo the phenomenon of 'spectral-luminosity evolution'. When accretion disks are first formed at the onset of galaxy formation the accretion rate occurs at very high values of luminosity/size compactness parameter L/R greater than 10(exp 30) erg/cm-sec. In the absence of extended structure, such high values of L/R generate dynamic constraints which suppress coherent, black hole/accretion disk dynamo particle acceleration processes. This inhibits nonthermal radiation processes and causes the spectrum of X-radiation emitted by PAG to be predominantly thermal. A superposition of PAG sources at z is greater than or equal to 6 can account for the residual cosmic X-ray background (CXB) obtained from the total CXB after subtraction of foreground AGN sources associated with present epoch Seyfert galaxies. The manner in which the PAG undergo spectral-luminosity evolution into Seyfert galaxies is investigated.

Leiter, Darryl↗

The effect of a transducer’s spatial averaging on an elastodynamic guided wave’s wavenumber spectrum

Elastodynamic guided waves propagate in an elastic solid which makes it difficult, if not impractical, to place a receiving transducer in the direct path of the propagating wave (as one would for an acoustic wave in a fluid medium). Thus, to account for this, receiving transducers are often placed on the surface of the solid waveguide such that the transducer surface is parallel to the wave propagation direction. This transducer orientation introduces spatial averaging, which causes the received signal to have an altered signal amplitude and mode bias. We investigate both of these effects and present a simple model from which we derive a scaling-ratio expression that describes the effects of spatial averaging. Furthermore, we then test its performance using finite-element simulations that incorporate “real-world” assumptions (e.g., transient waves, piezoelectric effects, etc.). The results from the simulations demonstrate that the scaling-ratio can characterize the effects resulting from spatial averaging. The scaling-ratio expression will be particularly useful when designing experiments involving high frequency (small wavelength) guided waves. Lastly, the proposed scaling-ratio expression could be applied to other sensing methods, like Laser Doppler Vibrometry (LDV) or piezoelectric waveguides with inter-digitated transducers, because of its generality. However, the authors are careful to note that the scaling-ratio expression is not intended as a replacement of multi-physics analysis or good experimental design, and the effects of spatial averaging should be avoided whenever possible.

2DFFT↗

The EUV Helium Spectrum in the Quiet Sun: A By-Product of Coronal Emission?

In this paper we test one of the mechanisms proposed to explain the intensities and other observed properties of the solar helium spectrum, and in particular of its Extreme-Ultraviolet (EUV) resonance lines. The so-called Photoionisation-Recombination (P-R) mechanism involves photoionisation of helium atoms and ions by EUV coronal radiation, followed by recombination cascades. We present calibrated measurements of EUV flux obtained with the two CDS spectrometers on board SOHO, in quiescent solar regions. We were able to obtain an essentially complete estimate of the total photoionizing flux in the wavelength range below 504 A (the photoionisation threshold for He(I)), as well as simultaneous measurements with the same instruments of the intensities of the strongest EUV helium lines: He(II) lambda304, He(I) lambda584, and He(I) lambda537. We find that there are not enough EUV photons to account for the observed helium line intensities. More specifically, we conclude that He(II) intensities cannot be explained by the P-R mechanism. Our results, however, leave open the possibility that the He(I) spectrum could be formed by the P-R mechanism, with the He(II) lambda304 line as a significant photoionizating source.

Andretta, Vincenzo↗

INFRARED TRANSMISSION SPECTROSCOPY OF THE EXOPLANETS HD 209458b AND XO-1b USING THE WIDE FIELD CAMERA-3 ON THE HUBBLE SPACE TELESCOPE

Exoplanetary transmission spectroscopy in the near-infrared using the Hubble Space Telescope (HST) NICMOS is currently ambiguous because different observational groups claim different results from the same data, depending on their analysis methodologies. Spatial scanning with HST/WFC3 provides an opportunity to resolve this ambiguity. We here report WFC3 spectroscopy of the giant planets HD 209458b and XO-1b in transit, using spatial scanning mode for maximum photon-collecting efficiency. We introduce an analysis technique that derives the exoplanetary transmission spectrum without the necessity of explicitly decorrelating instrumental effects, and achieves nearly photon-limited precision even at the high flux levels collected in spatial scan mode. Our errors are within 6% (XO-1) and 26% (HD 209458b) of the photon-limit at a resolving power of {lambda}/{delta}{lambda} {approx} 70, and are better than 0.01% per spectral channel. Both planets exhibit water absorption of approximately 200 ppm at the water peak near 1.38 {mu}m. Our result for XO-1b contradicts the much larger absorption derived from NICMOS spectroscopy. The weak water absorption we measure for HD 209458b is reminiscent of the weakness of sodium absorption in the first transmission spectroscopy of an exoplanet atmosphere by Charbonneau et al. Model atmospheres having uniformly distributed extra opacity of 0.012 cm{sup 2} g{sup -1} account approximately for both our water measurement and the sodium absorption. Our results for HD 209458b support the picture advocated by Pont et al. in which weak molecular absorptions are superposed on a transmission spectrum that is dominated by continuous opacity due to haze and/or dust. However, the extra opacity needed for HD 209458b is grayer than for HD 189733b, with a weaker Rayleigh component.

79 ASTRONOMY AND ASTROPHYSICS↗

Infrared Transmission Spectroscopy of the Exoplanets HD 209458b and XO-1b Using the Wide Field Camera-3 on the Hubble Space Telescope

Exoplanetary transmission spectroscopy in the near-infrared using the Hubble Space Telescope (HST) NICMOS (Near Infrared Camera and Multi-Object Spectrometer) is currently ambiguous because different observational groups claim different results from the same data, depending on their analysis methodologies. Spatial scanning with HST/WFC3 (Wide Field Camera-3) provides an opportunity to resolve this ambiguity.We here report WFC3 spectroscopy of the giant planets HD 209458b and XO-1b in transit, using spatial scanning mode for maximum photon-collecting efficiency. We introduce an analysis technique that derives the exoplanetary transmission spectrum without the necessity of explicitly decorrelating instrumental effects, and achieves nearly photon-limited precision even at the high flux levels collected in spatial scan mode. Our errors are within 6 percent (XO-1) and 26 percent (HD 209458b) of the photon-limit at a resolving power of lambda divided by delta times lambda approximating 70, and are better than 0.01 percent per spectral channel. Both planets exhibit water absorption of approximately 200 ppm at the water peak near 1.38 m. Our result for XO-1b contradicts the much larger absorption derived from NICMOS spectroscopy. The weak water absorption we measure for HD209458b is reminiscent of the weakness of sodium absorption in the first transmission spectroscopy of an exoplanet atmosphere by Charbonneau et al. Model atmospheres having uniformly distributed extra opacity of 0.012 square centimeters per gram account approximately for both our water measurement and the sodium absorption. Our results for HD 209458b support the picture advocated by Pont et al. in which weak molecular absorptions are superposed on a transmission spectrum that is dominated by continuous opacity due to haze and or dust. However,the extra opacity needed for HD 209458b is grayer than for HD 189733b, with a weaker Rayleigh component.

planetary systems↗

Economic Model for Estimation of GDP Losses in the MACCS Offsite Consequence Analysis Code

The MACCS (MELCOR Accident Consequence Code System) code is the U.S. Nuclear Regulatory Commission (NRC) tool used to perform probabilistic health and economic consequence assessments for atmospheric releases of radionuclides. It is also used by international organizations, both reactor owners and regulators. It is intended and most commonly used for hypothetical accidents that could potentially occur in the future rather than to evaluate past accidents or to provide emergency response during an ongoing accident. It is designed to support probabilistic risk and consequence analyses and is used by the NRC, U.S. nuclear licensees, the Department of Energy, and international vendors, licensees, and regulators. This report describes the modeling framework, implementation, verification, and benchmarking of a GDP-based model for economic losses that has recently been developed as an alternative to the original cost-based economic loss model in MACCS. The GDP-based model has its roots in a code developed by Sandia National Laboratories for the Department of Homeland Security to estimate short-term losses from natural and manmade accidents, called the Regional Economic Accounting analysis tool (REAcct). This model was adapted and modified for MACCS and is now called the Regional Disruption Economic Impact Model (RDEIM). It is based on input-output theory, which is widely used in economic modeling. It accounts for direct losses to a disrupted region affected by an accident, indirect losses to the national economy due to disruption of the supply chain, and induced losses from reduced spending by displaced workers. RDEIM differs from REAcct in its treatment and estimation of indirect loss multipliers, elimination of double counting associated with inter-industry trade in the affected area, and that it is designed to be used to estimate impacts for extended periods that can occur from a major nuclear reactor accident, such as the one that occurred at the Fukushima Daiichi site in Japan. Most input-output models do not account for economic adaptation and recovery, and in this regard RDEIM differs from its parent, REAcct, because it allows for a user-definable national recovery period. Implementation of a recovery period was one of several recommendations made by an independent peer review panel to ensure that RDEIM is state-of-practice. For this and several other reasons, RDEIM differs from REAcct. Both the original and the RDEIM economic loss models account for costs from evacuation and relocation, decontamination, depreciation, and condemnation. Where the original model accounts for an expected rate of return, based on the value of property, that is lost during interdiction, the RDEIM model instead accounts for losses of GDP based on the industrial sectors located within a county. The original model includes costs for disposal of crops and milk that the RDEIM model currently does not, but these costs tend to contribute insignificantly to the overall losses. This document discusses three verification exercises to demonstrate that the RDEIM model is implemented correctly in MACCS. It also describes a benchmark study at five nuclear power plants chosen to represent the spectrum of U.S. commercial sites. The benchmarks provide perspective on the expected differences between the RDEIM and the original cost-based economic loss models. The RDEIM model is shown to consistently predict larger losses than the original model, probably in part because it accounts for national losses by including indirect and induced losses; whereas, the original model only accounts for regional losses. Nonetheless, the RDEIM model predicts losses that are remarkably consistent with the original cost-based model, differing by 16% at most for the five sites combined with three source terms considered in this benchmark.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Chandra X-ray Study of Cygnus A: The Nucleus - 2

We report Chandra Advanced CCD Imaging Spectrometer and quasi-simultaneous Rossi X-Ray Timing Explorer (RXTE) observations of the nearby, powerful radio galaxy Cygnus A, with the present paper focusing on the properties of the active nucleus. In the Chandra observation, the hard (less than a few keV) X-ray emission is spatially unresolved with a size is approximately 1" (1.5 kpc, H(sub 0) = 50 km/s/Mpc) and coincides with the radio and near-infrared nuclei. In contrast, the soft (less than 2 keV) emission exhibits a bipolar nebulosity that aligns with the optical bipolar continuum and emission-line structures and approximately with the radio jet. In particular, the soft X-ray emission corresponds very well with the [O III] (lambda)5007 and H(alpha) + [N II] lambda(lambda)6548, 6583 nebulosity imaged with Hubble Space Telescope. At the location of the nucleus, there is only weak soft X-ray emission, an effect that may be intrinsic or result from a dust lane that crosses the nucleus perpendicular to the source axis. The spectra of the various X-ray components have been obtained by simultaneous fits to the six detectors. The compact nucleus is detected to 100 keV and is well described by a heavily absorbed power-law spectrum with Gamma(sub h) = 1.52(sup + 0.12, sub -0.12) (similar to other 0.12 narrow-line radio galaxies) and equivalent hydrogen column N(sub H)(nuc) = 2.0(sup +0.1, sub -0.1) x 10(exp 23)/sq cm. This 0.2 column is compatible with the dust obscuration to the near-infrared source for a normal gas-to-dust ratio. The soft (less than 2 keV) emission from the nucleus may be described by a power-law spectrum with the same index (i.e., Gamma(sub l) = Gamma(sub h), although direct fits suggest a slightly larger value for Gamma(sub l). Narrow emission lines from highly ionized neon and silicon, as well as a "neutral" Fe K(alpha) line, are detected in the nucleus and its vicinity (r approximately less than 2 kpc). The equivalent width (EW) of the Fe K(alpha) line (182(sup +40, sub -54) eV) is in good agreement with theoretical predictions for the EW versus N(sub H)(nuc) relationship in various geometries. An Fe K edge is also seen. The RXTE observations indicate a temperature of kT = 6.9(sup +0., sub -1.0) keV for the cluster gas (discussed in Paper III of this series) and cluster emission lines of Fe K(alpha) and Fe K(beta) and/or Ni K(alpha). We consider the possibility that the extended soft X-ray emission is electron-scattered nuclear radiation. Given that 1% of the unabsorbed 2 - 10 keV nuclear radiation would have to be scattered, the necessary gas column [N(sub H)(Scattering) approx. = 3.5 x 10(exp 22)/sq cm] would absorb the X-rays rather than scatter them if the gas is cold. Thus, the scattering plasma must be highly ionized. If this ionization is achieved through photoionization by the nucleus, the ionization parameter zeta greater than 1 ergs cm/s and the electron density n(sub e) approx. = 6 cc given the observed distance of the soft X-ray emission from the nucleus. The electron column density inferred from the X-ray observations is much too low to account for the extended optical scattered light, strongly suggesting that the polarized optical light is scattered by dust. The presence of highly ionized Ne lines in the soft X-ray spectrum requires 20 ergs cm/s approximately less than zeta approximately less than 300 ergs cm/s these lines may originate closer to the nucleus than the extended soft continuum or in a lower density gas. A collisionally ionized thermal model of the extended soft X-rays cannot be ruled out but is unattractive in view of the low metal abundance required (Z = 0.03 Z(mass)). The hard X-ray to far-infrared ratio for the nucleus of Cygnus A is similar to that seen in Seyfert 1 and unobscured radio galaxies. By means of the correlation between hard X-ray luminosity and nuclear optical absolute magnitude for these classes of object, we estimate M(sub B) = -22.4 for Cygnus A, near the .borderline between Seyfert galaxies and QSOs.

Young, Andrew J.↗

Protection against Chemical Warfare Agents and Biological Threats Using Metal–Organic Frameworks as Active Layers

The SARS-CoV-2 pandemic outbreak and the unfortunate misuse of toxic chemical warfare agents (CWAs) highlight the importance of developing functional materials to protect against these chemical and pathogen threats. Metal–organic frameworks (MOFs), which comprise a tunable class of crystalline porous materials built from inorganic nodes and organic linkers, have emerged as a class of heterogeneous catalysts capable of rapid detoxification of multiple classes of these harmful chemical or biological hazards. In particular, zirconium-based MOFs (Zr-MOFs) feature Lewis acidic nodes that serve as active sites for a wide range of catalytic reactions, including the hydrolysis of organophosphorus nerve agents within seconds in basic aqueous solutions. In addition, postsynthetic modification of Zr-MOFs enables the release of active species capable of reacting with and deactivating harmful pathogens. Despite this impressive performance, utilizing Zr- MOFs in powder form is not practical for application in masks or protective uniforms. To address this challenge, our team sought to develop MOF/fiber composite systems that could be adapted for use under realistic operating conditions to protect civilians, military personnel, and first responders from harmful pathogens and chemical warfare agents. Over the last several years, our group has designed and fabricated reactive and biocidal MOF/fiber composites that effectively capture and deactivate these toxic species. In this Account, we describe the evolution of these porous and reactive MOF/fiber composites and focus on key design challenges and considerations. First, we devised a scalable method for the integration of Zr-MOFs onto textile substrates using aqueous precursor solutions and without using pretreated textiles, highlighting the potential scalability of this method. Moving beyond standard textiles, we also developed a microbial synthesis strategy to prepare hierarchically porous MOF/bacterial cellulose nanofiber composite sponges that can both capture and detoxify nerve agents when exposed to contaminated gas flows. The mass loading of the MOF in the nanofibrous composite sponge is up to 90%, affording higher work capacities compared to those of textile-fiber-based composites with relatively lower MOF loadings. Next, we demonstrated that heterogeneous polymeric bases are suitable replacements for volatile liquid bases typically used in solution-phase reactions, and we showed that these composite systems are capable of effectively hydrolyzing nerve agents in the solid state by using only water that is present as humidity. Moreover, incorporating a reactive dye precursor into the composite affords a dual function sensing and detoxifying material that changes color from white to orange upon reaction with the byproduct following nerve agent hydrolysis, demonstrating the versatility of this platform for use in decontamination applications. We then created chlorine-loaded MOF/fiber composites that act as biocidal and reactive textiles that are capable of not only detoxifying sulfur-mustard-based chemical warfare agents and simulants but also deactivating both bacteria and the SARS-CoV-2 virus within minutes of exposure. Lastly, we synthesized a mixed-metal Ti/Zr-MOF coating on cotton fibers to afford a photoactive biocidal cloth that shows fast and broad-spectrum biocidal performance against viruses and Gram-positive and Gram-negative bacteria under visible light irradiation. Given the tunable, multifunctional nature of these MOF/fiber composites, we believe that this Account will offer new insights for the rational design and preparation of functional MOF/fiber composites and pave the way toward the development of next-generation reactive and protective textiles.

36 MATERIALS SCIENCE↗