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DOE OSTI2015

New vector-like fermions and flavor physics

We study renormalizable extensions of the standard model that contain vector-like fermions in a (single) complex representation of the standard model gauge group. There are 11 models where the vector-like fermions Yukawa couple to the standard model fermions via the Higgs field. These models do not introduce additional fine-tunings. They can lead to, and are constrained by, a number of different flavor-changing processes involving leptons and quarks, as well as direct searches. An interesting feature of the models with strongly interacting vector-like fermions is that constraints from neutral meson mixings (apart from CP violation in $ {K}^0-{\overline{K}}^0 $ mixing) are not sensitive to higher scales than other flavor-changing neutral-current processes. We identify order 1/(4πM) 2 (where M is the vector-like fermion mass) one-loop contributions to the coefficients of the four-quark operators for meson mixing, that are not suppressed by standard model quark masses and/or mixing angles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Decorated Honeycomb Lattice and Successive Magnetic Transitions of the Delafossite Derivative K 4 Ni 5 Te 3 O 16

Here, we report the synthesis and characterization of the delafossite derivative K 4 Ni 5 Te 3 O 16 , which hosts a decorated honeycomb Ni 2+ lattice. Single-crystal X-ray diffraction, electron microscopy, and neutron diffraction establish a noncentrosymmetric Pmm2 crystal structure that combines regular honeycomb units with elongated motifs formed by Ni 2+ trimers along extended edges. Magnetic susceptibility reveals strong antiferromagnetic interactions, while heat capacity measurements identify two successive magnetic transitions at 30 and 12 K. Neutron diffraction shows that these transitions correspond to a progression from partial to full long-range magnetic order on distinct Ni sites, reflecting competition among the various exchange interactions. The resulting magnetic point group, mm2.1′, inherits the lattice polarity and permits high-order magnetoelectric coupling. Consistent with this symmetry, a quadratic magnetic-field-induced polarization is experimentally observed below the magnetic ordering temperature, likely arising from exchange-driven magnetostriction coupled to the polar lattice. These results establish K 4 Ni 5 Te 3 O 16 as an interesting platform for engineering B-site ordering in delafossite derivatives to realize complex quantum magnetism and functional responses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Stripe helical magnetism and two regimes of anomalous Hall effect in NdAlGe

Here, we report the magnetic and electronic transport properties of the inversion and time-reversal symmetry breaking Weyl semimetal NdAlGe. This material is analogous to NdAlSi, whose helical magnetism presents a rare example of a Weyl-mediated collective phenomenon, but with a larger spin-orbit coupling. Our neutron diffraction experiments revealed that NdAlGe, similar to NdAlSi, supports an incommensurate spin density wave (T inc =6.8 K) whose spins are predominantly pointing along the out-of-plane direction and have a small helical spin canting of 3°. The spin density wave has a long wavelength of ≈35 nm and transitions to a commensurate ferrimagnetic state below T com =5.1K. Using small-angle neutron scattering, we showed that the zero-field cooled ferrimagnetic domains form stripes in real space with characteristic length scales of 18 and 72 nm parallel and perpendicular to the [110] direction, respectively. Interestingly, for the transport properties, NdAlSi does not exhibit an anomalous Hall effect (AHE) that is commonly observed in magnetic Weyl semimetals. In contrast to NdAlSi, we identify two different AHE regimes in NdAlGe that are, respectively, governed by intrinsic Berry curvature and extrinsic disorders/spin fluctuations. Our paper suggests that Weyl-mediated magnetism prevails in this group of noncentrosymmetric magnetic Weyl semimetals NdAlX, but transport properties including AHE are affected by material-specific extrinsic effects such as disorders, despite the presence of prominent Berry curvature.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Elementary Particle Physics (Final Report)

vATLAS and the LHC are delivering on the promise of discovery physics at the high energy frontier. Using 4.8 fb -1 of 2011 $\sqrt{s}$=7 TeV data and the first 5.8 fb -1 of 2012 $\sqrt{s}$=8 TeV data, ATLAS published the observation of a new particle with a mass of 126 GeV with a significance of 5.9σ that is compatible with a Standard Model (SM) Higgs. The LHC is outperforming initial projections for the 2012 run, and ATLAS is on track to integrate ~20 fb -1 of proton-proton collisions in 2012 before Long Shutdown 1 (LS1) begins in Spring 2013. University of Texas at Dallas (UTD) physicists will complete work on two ATLAS analyses this fall. The first is the search for the gauge bosons of a hypothesized dark sector. For 2011 data, UTD is responsible for the dark photon search in the electron-jet channel, and we are looking forward to an expanded leadership role in the dark photon search using the full 2012 data set. Our second analysis interest is the study of X/Y/Z exotic states having cc content, which builds on our experience in this field from the BABAR experiment After completing a measurement of the Xc(3872) production cross section this fall, we will search for evidence of the Z(4430)+ which is reported by Belle but not confirmed by BABAR. The UTD group has played a strong role in ATLAS operations, with group members serving as Pixel Run Coordinator, ATLAS Shift Leader, and Pixel/Inner Detector Shifter. For most of the current 3-year funding cycle, a group member coordinated the development of the Pixel DAQ code, and another continues to build and maintain the data quality monitoring (DQM) application that is used by the Inner Detector control room shifter. Additionally, members of our group take Pixel on-call expert shifts for DQM and DAQ. We led an optoboard lifetime study to assess concerns of premature on-detector VCSEL failure using the Pixel working prototype detector at CERN. Physicists based at UTD participated through Pixel Offline DQM and ATLAS Distributed Computing Operations Shifts (ADCoS) During Summer 2012, UTD joined upgrade activities in preparation for LS1. We took a major role in the testing of Electro-Readout (ER) Bundle testing for new Service Quarter Panels (nSQPs), and we developed two utilities to measure the timing jitter and bit error rate of the Pixel readout chain for use commissioning Pixel detector upgrades. During BABAR's heyday, the UTD group pioneered the use of e + e - annihilation events with hard Initial State Radiation (ISR) to study the charm threshold region, and we carried out the first BABAR double-cc analysis. Our most recent ISR paper, written in collaboration with A. Palano (Bari) is Exclusive Production of Ds + Ds - , D S *+ Ds - , and Ds *+ Ds *- via e+ e- Annihilation with Initial-State-Radiation was published in Physical Review D 82, 052004 (2010). Work continues on a study of ISR Λc + Λc - production, and a new search to establish and study double-ss production is starting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Analysis of Localized Deformation Processes in Highly Irradiated Austenitic Stainless Steel through In Situ Techniques

This report describes new experimental results obtained during in situ mechanical tests with neutron-irradiated (10.7 dpa) austenitic 304L steel specimens. The in situ tensile tests inside a scanning electron microscope (SEM) were accompanied by modern high-resolution electron backscatter diffraction (HR-EBSD) analysis. The HR-EBSD approach allowed for investigating and quantifying internal stresses and dislocation structures in nondeformed and deformed steels, materials used in light water reactor internal components. The literature regarding the HR-EBSD analysis of metals and alloys is very limited, and practically no publications on the HR-EBSD analysis coupled with in situ tests are available. Experimental work, performed at Oak Ridge National Laboratory’s Low Activation Materials Development and Analysis facility, is detailed in this report. Section 1 briefly describes strain and stress localization processes and underlines their importance and role in irradiated materials, materials used in nuclear power plants. The section demonstrates that very limited quantitative data exist regarding localized stresses and strains in the irradiated materials at the meso-level (i.e., inside the grain, for a group of interacting grains, or for channel–grain boundary [GB] interaction) whereas local stresses at GBs are key contributors to the stress corrosion crack initiation.Section 2 documents the key methods used to conduct the experimental work: the SEM/EBSD system, miniature tensile frame, and irradiated material. Irradiated specimen manufacturing is described, as this option may be of special interest for other projects. Section 3 provides details of the HR-EBSD in situ tests (e.g., tensile curves, geometry, dimensions of regions of interest, load, and deformation steps). Section 4 discusses the results related to the evolution of geometrically necessary dislocations (GNDs) and their density, spatial, and statistical distributions.Section 5 focuses on the HR-EBSD analysis with respect to a channel–GB interaction. Two aspects are discussed in detail: mapping and analyzing the GND fields before and after loading, and the possibility of investigating local stresses and elastic strains at the channel–GB interaction. The present work results are beneficial for understanding strain and stress localization processes leading to crack initiation, for analyzing the material after long-term in-service life, and for developing predictive models. Section 6 summarizes the work performed and discusses future activities within this research direction.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Computational Study of Symmetric Methylation on Histone Arginine Catalyzed by Protein Arginine Methyltransferase PRMT5 through QM/MM MD and Free Energy Simulations

Protein arginine methyltransferases (PRMTs) catalyze the transfer of the methyl group from S-adenosyl-l-methionine (AdoMet) to arginine residues. There are three types of PRMTs (I, II and III) that produce different methylation products, including asymmetric dimethylarginine (ADMA), symmetric dimethylarginine (SDMA) and monomethylarginine (MMA). Since these different methylations can lead to different biological consequences, understanding the origin of product specificity of PRMTs is of considerable interest. In this article, the quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) and free energy simulations are performed to study SDMA catalyzed by the Type II PRMT5 on the basis of experimental observation that the dimethylated product is generated through a distributive fashion. The simulations have identified some important interactions and proton transfers during the catalysis. Similar to the cases involving Type I PRMTs, a conserved Glu residue (Glu435) in PRMT5 is suggested to function as general base catalyst based on the result of the simulations. Moreover, our results show that PRMT5 has an energetic preference for the first methylation on N-1 followed by the second methylation on a different -guanidino nitrogen of arginine (N-2).The first and second methyl transfers are estimated to have free energy barriers of 19-20 and 18-19 kcal/mol respectively. The computer simulations suggest a distinctive catalytic mechanism of symmetric dimethylation that seems to be different from asymmetric dimethylation.

ARABIDOPSIS↗

NASA NTRS1994

Noble gas isotopes and halogens in volatile-rich inclusions in diamonds

Application of the (40)Ar-(39)Ar method and noble gas studies to diamonds has increased our understanding of their age relationships to the host kimberlite or lamproite, and of the source and composition of volatile-rich fluids in the upper mantle. The properties of diamond (inert, high mechanical strength and low gas diffusivities) means they are especially useful samples for studying gases trapped deep within the earth (less than 150 km) as they are unlikely to have undergone loss or exchange of entrapped material since formation. Volatile-rich fluids (H2O-CO2) are important agents for metasomatic processes in the upper mantle, and the noble gases and halogens preferentially partition into this phase leading to a strong geochemical coherence between these groups of elements. The abundances of the halogens in the major reservoirs of the Earth shows a marked progression from chlorine, concentrated in the oceans, through to iodine which, through its affinity to organic material, is concentrated mainly in sediments. Abundances in the upper mantle are low. This is particularly true for iodine which is of special interest in view of its potential significance as an indicator of sediment recycling and by way of its link to (129)Xe amomalies in the mantle through the low extinct isotope (129)I. Extensions of the (40)Ar-(39)Ar technique enable measurements of halogens and other elements (K, Ca, Ba, U) by production of noble gas isotopes from these species during neutron irradiation. Samples analyzed in this way include 15 coated stones from an unknown source in Zaire, 3 boarts from the Jwaneng and 1 boart from the Orapa kimberlites, both in Botswana.

Burgess, Raymond↗

NASA NTRS2007

Coadding Techniques for Image-based Wavefront Sensing for Segmented-mirror Telescopes

Image-based wavefront sensing algorithms are being used to characterize optical performance for a variety of current and planned astronomical telescopes. Phase retrieval recovers the optical wavefront that correlates to a series of diversity-defocused point-spread functions (PSFs), where multiple frames can be acquired at each defocus setting. Multiple frames of data can be coadded in different ways; two extremes are in "image-plane space," to average the frames for each defocused PSF and use phase retrieval once on the averaged images, or in "pupil-plane space," to use phase retrieval on every set of PSFs individually and average the resulting wavefronts. The choice of coadd methodology is particularly noteworthy for segmented-mirror telescopes that are subject to noise that causes uncorrelated motions between groups of segments. Using data collected on and simulations of the James Webb Space Telescope Testbed Telescope (TBT) commissioned at Ball Aerospace, we show how different sources of noise (uncorrelated segment jitter, turbulence, and common-mode noise) and different parts of the optical wavefront, segment and global aberrations, contribute to choosing the coadd method. Of particular interest, segment piston is more accurately recovered in "image-plane space" coadding, while segment tip/tilt is recovered in "pupil-plane space" coadding.

Smith, Scott↗

NASA NTRS2017

Framework for Processing Citizens Science Data for Applications to NASA Earth Science Missions

Citizen science (or crowdsourcing) has drawn much high-level recent and ongoing interest and support. It is poised to be applied, beyond the by-now fairly familiar use of, e.g., Twitter for natural hazards monitoring, to science research, such as augmenting the validation of NASA earth science mission data. This interest and support is seen in the 2014 National Plan for Civil Earth Observations, the 2015 White House forum on citizen science and crowdsourcing, the ongoing Senate Bill 2013 (Crowdsourcing and Citizen Science Act of 2015), the recent (August 2016) Open Geospatial Consortium (OGC) call for public participation in its newly-established Citizen Science Domain Working Group, and NASA's initiation of a new Citizen Science for Earth Systems Program (along with its first citizen science-focused solicitation for proposals). Over the past several years, we have been exploring the feasibility of extracting from the Twitter data stream useful information for application to NASA precipitation research, with both "passive" and "active" participation by the twitterers. The Twitter database, which recently passed its tenth anniversary, is potentially a rich source of real-time and historical global information for science applications. The time-varying set of "precipitation" tweets can be thought of as an organic network of rain gauges, potentially providing a widespread view of precipitation occurrence. The validation of satellite precipitation estimates is challenging, because many regions lack data or access to data, especially outside of the U.S. and in remote and developing areas. Mining the Twitter stream could augment these validation programs and, potentially, help tune existing algorithms. Our ongoing work, though exploratory, has resulted in key components for processing and managing tweets, including the capabilities to filter the Twitter stream in real time, to extract location information, to filter for exact phrases, and to plot tweet distributions. The key step is to process the "precipitation" tweets to be compatible with satellite-retrieved precipitation data. These key components for processing and managing "precipitation" tweets (and additional ones to be developed) are not limited to precipitation, nor are they limited to the Twitter social medium. Indeed, to maximize the value of our work for NASA earth science programs, these components should be generalized and be part of an overall framework for processing citizen science data for science research. In this paper, we outline such a framework.

earth science satellite data↗

DOE OSTI2019

NSUF Research Reactor Fitness Workshop Results

The Nuclear Science User Facilities has been working with the National Organization of Test, Research, and Training Reactors to collect input from the US university reactor community on their current and future needs. The effort started with a web survey in March to collect initial data. NSUF held a follow-up workshop in July at the Center for Advanced Energy Studies in Idaho Falls. We identified four areas of interest in the university research reactor community that can affect future operations and sustainability of the reactors: capital infrastructure, regulatory burden, staffing and knowledge transfer, and utilization and relevancy. Members of the community presented challenges and best practices from their facilities. Discussions were held to create and distill the list of challenges for each area. A working group was formed for each area to continue the discussion and prioritize the challenges. NSUF and the working groups intend to create a final recommendations report by the end of the year. This panel session will discuss the workshop and summarize the discussion in the four topic areas. The audience is encouraged to add to the discussion.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Separation of sugars and phenolics from the heavy fraction of bio-oil using polymeric resin adsorbents

This work describes the equilibrium and kinetic adsorption of levoglucosan and a mixture of phenolic species from an aqueous solution on two polymeric resin adsorbents, SP207 and XAD4. The separation of sugars from phenolic species is of interest as these species comprise a product stream from a unique fractionating bio-oil recovery system. Levoglucosan is the major sugar present in this product stream, with mannose, xylose, galactose, and cellobiosan present in minor extents. The phenolic species are a complex mixture of mono- and di-substituted phenols; however, we treat them as a single group of similar chemical species that must be removed before the aqueous sugar solution can be used as fermentation substrate. Adsorption isotherms and mass transfer coefficients were determined at 22 °C. Levoglucosan isotherms were fit with linear and Langmuir models. Phenolic species isotherms were fit with both Langmuir and Freundlich models although they more clearly exhibited Langmuir adsorption behavior. Adsorption equilibria show that both polymeric resins have an order of magnitude greater mass adsorption capacity for phenolic species compared to levoglucosan when the mixture is used as the applied solution. However, the kinetics of adsorption are approximately an order of magnitude slower for phenolic species versus levoglucosan. Here, the equilibrium-dispersive model for column chromatography was applied using the determined adsorption equilibria and kinetic parameters and compared to column elution experiments. The model provided a good fit to the column data; however, the fit was improved by replacing the single component isotherms with competitive Langmuir isotherm expressions and modestly lowering the phenolics mass transfer coefficient.

09 BIOMASS FUELS↗

DOE OSTI2020

Influences of Hydrogen Bonding-Based Stabilization of Bolaamphiphile Layers on Molecular Diffusion within Organic Nanotubes Having Inner Carboxyl Groups

This paper reports molecular diffusion behavior in two bolaamphiphile-based organic nanotubes having inner carboxyl groups with different inner dimeters (10 and 20 nm) and wall structures, COOH-ONT 10nm and COOH-ONT 20nm , using imaging fluorescence correlation spectroscopy (imaging FCS). Here, the results were compared to those previously obtained in a similar nanotube with inner amine groups (NH 2 -ONT 10nm ). COOH-ONT 10nm , as with NH 2 -ONT 10nm , were formed from a rolled bolaamphiphile layer incorporating triglycine moieties, whereas COOH-ONT 20nm consisted of four stacks of triglycine-free bolaamphiphile layers. Imaging FCS measurements were carried out for anionic sulforhodamine B (SRB), zwitterionic/cationic rhodamine B (RB) and cationic rhodamine-123 (R123) diffusing within ONTs (1–9 µm long) at different pH (3.4–8.4) and ionic strengths (1.6–500 mM). Diffusion coefficients (D) of these dyes in the ONTs were very small (0.01–0.1 µm 2 /s), reflecting the significant contributions of molecule-nanotube interactions to diffusion. The D of SRB was larger at higher pH and ionic strength, indicating the essential role of electrostatic repulsion that was enhanced by the deprotonation of the inner carboxyl groups. Importantly, the D of SRB was virtually independent of nanotube inner diameter and wall structure, indicating the diffusion of the hydrophilic molecule was controlled by short timescale adsorption/desorption processes onto the inner surface. In contrast, pH effects on D were less clear for relatively hydrophobic R123 and RB, suggesting the significant contributions of non-Coulombic interactions. Interestingly, the diffusion of these molecules in COOH-ONT 20nm was slower than in COOH-ONT 10nm . Slower diffusion in COOH-ONT20nm was attributable to relatively efficient partitioning of the hydrophobic dyes into the bolaamphiphile layers, which was reduced in COOH-ONT 10nm due to the stabilization of its layer by polyglycine-II-type hydrogen bonding networks. These results show that, by tuning the bolaamphiphile structures and their intermolecular interactions, unique environments can be created within the nanospaces for enhanced molecular separations and reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Predicting the Pseudocapacitive Windows for MXene Electrodes with Voltage-Dependent Cluster Expansion Models

MXene transition-metal carbides and nitrides are of growing interest for energy storage applications. These compounds are especially promising for use as pseudocapacitive electrodes due to their ability to convert energy electrochemically at fast rates. Using voltage-dependent cluster expansion models, we predict the charge storage performance of MXene pseudocapacitors for a range of electrode compositions. M 3 C 2 O 2 electrodes based on group-VI transition metals have up to 80% larger areal energy densities than prototypical titanium-based (e.g., Ti 3 C 2 O 2 ) MXene electrodes. We attribute this high pseudocapacitance to the Faradaic voltage windows of group-VI MXene electrodes, which are predicted to be 1.2 to 1.8 times larger than those of titanium-based MXenes. The size of the pseudocapacitive voltage window increases with the range of oxidation states that are accessible to the MXene transition metals. Here, by similar mechanisms, the presence of multiple ions in the solvent (Li + and H + ) leads to sharp changes in the transition-metal oxidation states and can significantly increase the charge capacity of MXene pseudocapacitors.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Ab Initio Density Functional Calculations of Adsorption of Transition Metal Atoms on theta-Al2O3 (010) Surface

The catalytic properties of metal clusters and particles depend on their environment, however, little is known so far about the subnanometer metal particles, smallest being single atoms, supported on metal oxide substrates, especially, the systems that can be experimentally synthesized. Employing first principles density functional theory approach, we have studied single metal atoms, Ni, Pt, Pd, Cu, Au, and Ag, adsorbed on a -Al2O3 (010) surface. We find that metal adsorption on a dry alumina surface follows the binding strength order of Pd>Pt>Ni>Cu>Au>Ag. Interestingly, Ni, Pt, and Pd atoms, supported on alumina, exhibit no magnetization whereas Cu, Ag, and Au exhibit unpaired electrons. The bonding picture that emerges from this study shows that Ni, Pt, and Pd, are d10 species with d-s hybrid character that are able to interact with the 2p orbital of surface oxygen. The interaction of Group 11 (Cu, Ag, Au) atoms with 010 surface of -Al2O3 is superficially similar to that of Group 10 metals. Group 11 metals with filled d orbitals have low tendency for d-s hybridization due to larger energy gaps than Group 10 metals. As a result of the overlap with O 2p, the d orbital shifts to lower energy. The magnetization of Group 11 metals is primarily due to single electrons in s orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Magnetic antenna excitation of whistler modes. IV. Receiving antennas and reciprocity

Antenna radiation patterns are an important property of antennas. Reciprocity holds in free space and the radiation patterns for exciting and receiving antennas are the same. In anisotropic plasmas, radiation patterns are complicated by the fact that group and phase velocities differ and certain wave properties like helicity depend on the direction of wave propagation with respect to the background magnetic field B{sub 0}. Interference and wave focusing effects are different than in free space. Reciprocity does not necessarily hold in a magnetized plasma. The present work considers the properties of various magnetic antennas used for receiving whistler modes. It is based on experimental data from exciting low frequency whistler modes in a large uniform laboratory plasma. By superposition of linear waves from different antennas, the radiation patterns of antenna arrays are derived. Plane waves are generated and used to determine receiving radiation patterns of different receiving antennas. Antenna arrays have radiation patterns with narrow lobes, whose angular position can be varied by physical rotation or electronic phase shifting. Reciprocity applies to broadside antenna arrays but not to end fire arrays which can have asymmetric lobes with respect to B{sub 0}. The effect of a relative motion between an antenna and the plasma has been modeled by the propagation of a short wave packet moving along a linear antenna array. An antenna moving across B{sub 0} has a radiation pattern characterized by an oscillatory “whistler wing.” A receiving antenna in motion can detect any plane wave within the group velocity resonance cone. The radiation pattern also depends on loop size relative to the wavelength. Motional effects prevent reciprocity. The concept of the radiation pattern loses its significance for wave packets since the received signal does not only depend on the antenna but also on the properties of the wave packet. The present results are of fundamental interest and of relevance to loop antennas in space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Bayesian optimization scheme for the design of a nanofibrous high power target

High Power Targetry (HPT) R&D is critical in the context of increasing beam intensity and energy for next generation accelerators. Many target concepts and novel materials are being developed and tested for their ability to withstand extreme beam environments; the HPT R&D Group at Fermilab is developing an electrospun nanofiber material for this purpose. The performance of these nanofiber targets is sensitive to their construction parameters, such as the packing density of the fibers. Lowering the density improves the survival of the target, but reduces the secondary particle yield. Optimizing the lifetime and production efficiency of the target poses an interesting design problem, and in this paper we study the applicability of Bayesian optimization to its solution. We first describe how to encode the nanofiber target design problem as the optimization of an objective function, and how to evaluate that function with computer simulations. We then explain the optimization loop setup. Thereafter, we present the optimal design parameters suggested by the algorithm, and close with discussions of limitations and future refinements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Bayesian Optimization Scheme for the Design of a Nanofibrous High Power Target

High Power Targetry (HPT) R\&D is critical in the context of increasing beam intensity and energy for next generation accelerators. Many target concepts and novel materials are being developed and tested for their ability to withstand extreme beam environments; the HPT R\&D Group at Fermilab is developing an electrospun nanofiber material for this purpose. The performance of these nanofiber targets is sensitive to their construction parameters, such as the packing density of the fibers. Lowering the density improves the survival of the target, but reduces the secondary particle yield. Optimizing the lifetime and production efficiency of the target poses an interesting design problem, and in this paper we study the applicability of Bayesian optimization to its solution. We first describe how to encode the nanofiber target design problem as the optimization of an objective function, and how to evaluate that function with computer simulations. We then explain the optimization loop setup. Thereafter, we present the optimal design parameters suggested by the algorithm, and close with discussions of limitations and future refinements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Assessing residential activity in a home plumbing system simulator: monitoring the occurrence and relationship of major opportunistic pathogens and phagocytic amoebas

Opportunistic premise plumbing pathogens (OPPPs) have been detected in buildings’ plumbing systems causing waterborne disease outbreaks in the United States. In this study, we monitored the occurrence of OPPPs along with free-living amoeba (FLA) and investigated the effects of residential activities in a simulated home plumbing system (HPS). Water samples were collected from various locations in the HPS and analyzed for three major OPPPs: Legionella pneumophila, nontuberculous mycobacterial species (e.g., Mycobacterium avium, M. intracellulare, and M. abscessus), and Pseudomonas aeruginosa along with two groups of amoebas (Acanthamoeba and Vermamoeba vermiformis). A metagenomic approach was also used to further characterize the microbial communities. Results show that the microbial community is highly diverse with evidence of spatial and temporal structuring influenced by environmental conditions. L. pneumophila was the most prevalent pathogen (86% of samples), followed by M. intracellulare (66%) and P. aeruginosa (21%). Interestingly, M. avium and M. abscessus were not detected in any samples. The data revealed a relatively low prevalence of Acanthamoeba spp. (4%), while V. vermiformis was widely detected (81%) across all the sampling locations within the HPS. Locations with a high concentration of L. pneumophila and M. intracellulare coincided with the highest detection of V. vermiformis, suggesting the potential growth of both populations within FLA and additional protection in drinking water. After a period of stagnation lasting at least 2-weeks, the concentrations of OPPPs and amoeba immediately increased and then decreased gradually back to the baseline. Furthermore, monitoring the microbial population after drainage of the hot water tank and partial drainage of the entire HPS demonstrated no significant mitigation of the selected OPPPs. This study demonstrates that these organisms can adjust to their environment during such events and may survive in biofilms and/or grow within FLA, protecting them from stressors in the supplied water.

59 BASIC BIOLOGICAL SCIENCES↗