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DOE OSTI2024

Linear Free Energy Relationships Associated with Hydride Transfer From [(6,6'-R 2 -bpy)Re(CO) 3 H]: A Cautionary Tale in Identifying Hydrogen Bonding Effects in the Secondary Coordination Sphere

Here, six rhenium hydride complexes, [(6,6'-R 2 -bpy)Re(CO) 3 H] (bpy = 2,2'-bipyridine, R = OEt, OMe, NHMe, Me, F, Br), were synthesized. These complexes insert CO 2 to form rhenium formate complexes of the type [(6,6'-R 2 -bpy)Re(CO) 3 {OC(O)H}]. All the rhenium formate species were characterized using X-ray crystallography, which revealed that the bpy ligand is not coplanar with the metal coordination plane containing the two nitrogen donors of the bpy ligand but tilted. A solid-state structure of [(6,6'-Me 2 -bpy)Re(CO) 3 H] determined using MicroED also featured a tilted bpy ligand. The kinetics of CO 2 insertion into complexes of the type [(6,6'-R 2 -bpy)Re(CO) 3 H] were measured experimentally and the thermodynamic hydricities of [(6,6'-R 2 -bpy)Re(CO) 3 H] species were determined using theoretical calculations. A Brønsted plot constructed using the experimentally determined rate constants for CO 2 insertion and the calculated thermodynamic hydricities for [(6,6'-R 2 -bpy)Re(CO) 3 H] revealed a linear free energy relationship (LFER) between thermodynamic and kinetic hydricity. This LFER is different to the previously determined relationship for CO 2 insertion into complexes of the type [(4,4'-R 2 -bpy)Re(CO) 3 H]. At a given thermodynamic hydricity, CO 2 insertion is faster for complexes containing a 6,6'-substituted bpy ligand. This is likely in part due to the tilting observed for systems with 6,6'-substituted bpy ligands. Notably, the 6,6'-(NHMe) 2 -bpy ligand could in principle stabilize the transition state for CO 2 insertion via hydrogen bonding. This work shows that if only the rate of CO 2 insertion into [(6,6'-(NHMe) 2 -bpy)Re(CO) 3 H] is compared to [(4,4'-R 2 -bpy)Re(CO) 3 H] systems, the increase in rate could be easily attributed to hydrogen bonding, but in fact all 6,6'-substituted systems lead to faster than expected rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Light-induced H 2 generation in a photosystem I-O 2 -tolerant [FeFe] hydrogenase nanoconstruct

The fusion of hydrogenases and photosynthetic reaction centers (RCs) has proven to be a promising strategy for the production of sustainable biofuels. Type I (iron-sulfur-containing) RCs, acting as photosensitizers, are capable of promoting electrons to a redox state that can be exploited by hydrogenases for the reduction of protons to dihydrogen (H 2 ). While both [FeFe] and [NiFe] hydrogenases have been used successfully, they tend to be limited due to either O 2 sensitivity, binding specificity, or H 2 production rates. In this study, we fuse a peripheral (stromal) subunit of Photosystem I (PS I), PsaE, to an O 2 -tolerant [FeFe] hydrogenase from Clostridium beijerinckii using a flexible [GGS] 4 linker group (CbHydA1-PsaE). We demonstrate that the CbHydA1 chimera can be synthetically activated in vitro to show bidirectional activity and that it can be quantitatively bound to a PS I variant lacking the PsaE subunit. When illuminated in an anaerobic environment, the nanoconstruct generates H 2 at a rate of 84.9 ± 3.1 µmol H 2 mg chl –1 h –1 . Further, when prepared and illuminated in the presence of O 2 , the nanoconstruct retains the ability to generate H 2 , though at a diminished rate of 2.2 ± 0.5 µmol H 2 mg chl –1 h –1 . This demonstrates not only that PsaE is a promising scaffold for PS I-based nanoconstructs, but the use of an O 2 -tolerant [FeFe] hydrogenase opens the possibility for an in vivo H 2 generating system that can function in the presence of O 2 .

Hydrogenase↗

DOE OSTI2020

Physi-sorption of H 2 on pure and boron-doped graphene monolayers: A dispersion-corrected DFT study

Carbon based materials are of interest as potential candidates for H 2 storage. Earlier work has been inconclusive on the effect of boron doping on the energy of H 2 binding. However, earlier work has been inconclusive on the definitive effect of boron doping on the energy of H 2 binding, i.e. isosteric heats of adsorption (Qst). In this work, we completed a systematic DFT study to evaluate this effect, and found that doping graphene with boron provides only minor enhancement in H 2 binding. More importantly, the presence of the electron deficient boron into a graphene ring introduces a defect, such as terminal hydrogen or distortion from planarity, which creates hydrogen adsorption sites with slightly increased Qst. The increase is from ~ 5 kJ/mol H 2 for the pure carbon matrix to ~6 - 7 kJ/mol for the boron doped system. The more strongly bond H 2 is located near the defect and shows little direct interaction with the boron. Most significant enhancement is found in systems where H 2 is confined between layers at a distance of about 7Å. In this case, the H 2 binding nearly doubles, to ~10 kJ/mol for both pure, undistorted graphene, and the 2% boron doped system, containing tetrahedral C atom distortion. Interestingly, at higher doping levels of boron, we found that the Qst decreases compared to the all carbon materials. These finding suggest that interplanar nanoconfinement may be more effective way to enhance H 2 binding than boron doping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

WALLABY pilot survey: H i gas disc truncation and star formation of galaxies falling into the Hydra I cluster

ABSTRACT We present results from our analysis of the Hydra I cluster observed in neutral atomic hydrogen (H i) as part of the Widefield ASKAP L-band Legacy All-sky Blind Survey (WALLABY). These WALLABY observations cover a 60-square-degree field of view with uniform sensitivity and a spatial resolution of 30 arcsec. We use these wide-field observations to investigate the effect of galaxy environment on H i gas removal and star formation quenching by comparing the properties of cluster, infall, and field galaxies extending up to ∼5R200 from the cluster centre. We find a sharp decrease in the H i-detected fraction of infalling galaxies at a projected distance of ∼1.5R200 from the cluster centre from $\sim 85{{\ \rm per\ cent}}$ to $\sim 35{{\ \rm per\ cent}}$. We see evidence for the environment removing gas from the outskirts of H i-detected cluster and infall galaxies through the decrease in the H i to r-band optical disc diameter ratio. These galaxies lie on the star-forming main sequence, indicating that gas removal is not yet affecting the inner star-forming discs and is limited to the galaxy outskirts. Although we do not detect galaxies undergoing galaxy-wide quenching, we do observe a reduction in recent star formation in the outer disc of cluster galaxies, which is likely due to the smaller gas reservoirs present beyond the optical radius in these galaxies. Stacking of H i non-detections with H i masses below $M_{\rm {HI}}\lesssim 10^{8.4}\, \rm {M}_{\odot }$ will be required to probe the H i of galaxies undergoing quenching at distances ≳60 Mpc with WALLABY.

Reynolds, T. N. (ORCID:0000000266065953)↗

NASA NTRS1994

Properties of an H I-selected galaxy sample

We analyze the properties of a sample of galaxies identified in a 21cm, H I-line survey of selected areas in the Perseus-Pisces supercluster and its foreground void. Twelve fields were observed in the supercluster, five of them (target fields) centered on optically bright galaxies, and the other seven (blank fields) selected to contain no bright galaxies within 45 min. of their centers. We detected nine previously uncatalogued, gas-rich galaxies, six of them in the target fields. We also detected H I from seven previously catalogued galaxies in these fields. Observations in the void covered the same volume as the 12 supercluster fields at the same H I-mass sensitivity, but no objects were detected. Combining out H I data with optical broadband and H alpha imaging, we conclude that the properties of H I-selected galaxies do not differ substantially from those of late-type galaxies found in optical surveys. In particular, the galaxies in our sample do not appear to be unusually faint for their H I mass, or for their circular velocity. We find tentative evidence for a connection between optical surface brightness and degree of isolation, in the sense that low surface brightness galaxies tend to be more isolated. The previously catalogued, optically bright galaxies in our survey volume dominate the total H I mass density and cross section; the uncatalogued galaxies contribute only approximately 19 percent of the mass and approximately 12 percent of the cross section. Thus, existing estimates of the density and cross section of neutral hydrogen, most of which are based on optically selected galaxy samples, are probably accurate. Such estimates can be used to compare the nearby universe to the high-redshift universe probed by quasar absorption lines.

Szomoru, Arpad↗

DOE OSTI2025

Theoretical and kinetic modeling study of H 2 S pyrolysis

Hydrogen sulfide pyrolysis was investigated theoretically and through chemical kinetic modeling. Reactions on the SHH potential energy surface, primarily S + H 2 (+Ar) ⇌ H 2 S (+ Ar) (R1) and S + H 2 ⇌ SH + H (R6b) were characterized by ab initio calculations. Results for k 1 were in good agreement with experiment, but deviated strongly below 2000 K from values previously used in modeling. Collider efficiencies for H 2 S, S 2 , and N 2 compared to Ar were calculated for R1. Hydrogen sulfide decomposition experiments reported in literature were re-examined in terms of an updated detailed chemical kinetic model. Concentration profiles for the atomic S at high temperature in shock tubes supported the present value of k 1 and served to constrain the rate constants for reaction of S with SH and H 2 S. To explain results from batch and flow reactors, conducted at high H 2 S concentrations in the 900–1400 K range, a very fast rate constant was required for HSS + H ⇌ SH + SH. Under dilute conditions, the gas-phase chemistry was too slow to compete and the decomposition of H 2 S was controlled by loss on the reactor surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Experimental and modeling study of water time histories during H 2 S-N 2 O combustion in a shock tube

Here, with the interest in directly burning sour gas in gas turbines, and the fact that even small amounts of H 2 S or its combustion products can alter combustion characteristics, many research studies have been performed to better understand the combustion chemistry of H 2 S. In the present study, the water formation was followed by laser absorption with N 2 O as an oxidant, instead of O 2 . Nitrous Oxide being essentially consumed via N 2 O (+M) ⇌ N 2 + O (+M), the water formation via the H 2 S + O route can then be probed to further validate the models. Three H 2 S/N 2 O mixtures diluted in 98% Ar were studied to cover the following range of equivalence ratios: 0.5, 1.0, and 2.0, over a wide range of temperatures (1580–1940 K) around atmospheric pressure. A chemical kinetic model was then developed first by validating the base N 2 O kinetics mechanism, then by investigating the experimental results presented herein. The N 2 O kinetics mechanism was updated with recent work on the low- and high-pressure limits for N 2 O decomposition (N 2 O (+M) ⇌ N 2 + O (+M)) as well as a review of rate coefficients for N 2 O + H ⇌ N 2 + OH from the literature. Good agreement is shown for H 2 /N 2 O mixtures. Updates were then made to the H 2 S kinetics mechanism, specifically, an update from the literature on SO 2 + H (+M) ⇌ SO + OH (+M) and an adjustment to SO + SH ⇌ S 2 + OH. Additionally, reactions between SH and N 2 O were determined using W1BD data and transition state theory which required the addition of an NNS sub-mechanism. With these updates, the mechanism provides good agreement with the H 2 S/N 2 O experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Upgrading the LANSCE accelerator with a SNS RF-driven H− ion source

The LANSCE accelerator is currently powered by a filament-driven, biased converter-type H− ion source that operates at 10%, the highest plasma duty factor for this type of source, using only ∼2.2 SCCM of H2. The ion source needs to be replaced every 4 weeks, which takes up to 4 days. The measured negative beam current of 12–16 mA falls below the desired 24 mA acceptance of the LANCSE accelerator. The SNS (Spallation Neutron Source) RF-driven, H− ion source injects ∼50 mA of H− beam into the SNS accelerator at 60 Hz with a 6% duty factor and an availability of >99.5% but requires ∼30 SCCM of H2. Up to 7 A h of H− have been produced during the 14-weeks-long source service cycles, which is unprecedented for small emittance, high-current, pulsed H− ion sources. The emittance of the SNS source is slightly smaller than the emittance of the LANSCE source. The SNS source also features unrivaled low Cs consumption and can be installed and started up in <12 h. LANSCE and SNS are working toward the use of SNS H− ion sources on the LANSCE accelerator because they could (a) fill the LANSCE accelerator to its capacity, (b) decrease the source replacement time by a factor of up to 7, and (c) increase source lifetime by a factor of about 4. This paper discusses some of the challenges that emerge when trying to match a different H− source into an existing injector with significantly different characteristics and operating regimes.

Stockli, Martin P.↗

DOE OSTI2020

Catalytic C 2 H 2 synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS 2 and 2D-MoS 2 decorated with Mo clusters

Rational design of novel catalytic materials used to synthesize storable fuels via the CO hydrogenation reaction has recently received considerable attention. In this work, defect poor and defect rich 2D-MoS 2 as well as 2D-MoS 2 decorated with Mo clusters are employed as catalysts for the generation of acetylene (C 2 H 2 ) via the CO hydrogenation reaction. Temperature programmed desorption is used to study the interaction of CO and H2 molecules with the MoS 2 surface as well as the formation of reaction products. The experiments indicate the presence of four CO adsorption sites below room temperature and a competitive adsorption between the CO and H 2 molecules. The investigations show that CO hydrogenation is not possible on defect poor MoS 2 at low temperatures. However, on defect rich 2D-MoS 2 , small amounts of C 2 H 2 are produced, which desorb from the surface at temperatures between 170 K and 250 K. A similar C 2 H 2 signal is detected from defect poor 2D-MoS 2 decorated with Mo clusters, which indicates that low coordinated Mo atoms on 2D-MoS 2 are responsible for the formation of C 2 H 2 . Density functional theory investigations are performed to explore possible adsorption sites of CO and understand the formation mechanism of C 2 H 2 on MoS 2 and Mo 7 /MoS 2 . The theoretical investigation indicates a strong binding of C 2 H 2 on the Mo sites of MoS 2 preventing the direct desorption of C 2 H 2 at low temperatures as observed experimentally. Instead, the theoretical results suggest that the experimental data are consistent with a mechanism in which CHO radical dimers lead to the formation of C 2 H 2 that presents an exothermic desorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Less than the sum of its parts: the dust-corrected H α luminosity of star-forming galaxies explored at different spatial resolutions with MaNGA and MUSE

ABSTRACT The H α and H β emission-line luminosities measured in a single integrated spectrum are affected in non-trivial ways by point-to-point variations in dust attenuation in a galaxy. This work investigates the impact of this variation when estimating global H α luminosities corrected for the presence of dust by a global Balmer decrement. Analytical arguments show that the dust-corrected H α luminosity is always underestimated when using the global H α/H β flux ratio to correct for dust attenuation. We measure this effect on 156 face-on star-forming galaxies from the Mapping Nearby Galaxies at APO (MaNGA) survey. At 1–2 kpc spatial resolution, the effect is small but systematic, with the integrated dust-corrected H α luminosity underestimated by 2–4 per cent (and typically not more than by 10 per cent), and depends on the specific star formation rate of the galaxy. Given the spatial resolution of MaNGA, these are lower limits for the effect. From Multi Unit Spectroscopic Explorer (MUSE) observations of NGC 628 with a resolution of 36 pc, we find the discrepancy between the globally and the point-by-point dust-corrected H α luminosity to be 14 ± 1 per cent, which may still underestimate the true effect. We use toy models and simulations to show that the true difference depends strongly on the spatial variance of the H α/H β flux ratio, and on the slope of the relation between H αluminosity and dust attenuation within a galaxy. Larger samples of higher spatial resolution observations are required to quantify the dependence of this effect as a function of galaxy properties.

Vale Asari, N.↗

DOE OSTI2020

The population of galaxies that contribute to the H i mass function

ABSTRACT We look at the contribution of different galaxy populations to the atomic hydrogen (H i) mass function (HIMF) and the H i density parameter, ΩH i, in the local Universe. Our analysis is based on a sample of 7857 H i selected galaxies selected from a volume common to the Sloan Digital Sky Survey (SDSS) and Arecibo Fast Legacy ALFA (40 per cent catalogue – α.40) surveys. We define different populations of galaxies in the colour (u − r)–magnitude (Mr) plane and compute the HIMF for each of them. Additionally we compute the HIMF for dark galaxies; these are undetected in SDSS and represent $\sim 2{{\ \rm per\ cent}}$ of the total sample. We find that the luminous red population dominates the total HIMF for $\log _{10}(M_{\rm{H\,{\small I}}}h^2_{70}/M_{\odot }) \ge 10.4$. The full red population – luminous and faint – represents about $\sim 17{{\ \rm per\ cent}}$ of the ΩH i budget, while that of the dark population is $\sim 3{{\ \rm per\ cent}}$. The HIMF about the knee, $\log _{10}(M_{\rm{H\,{\small I}}}h^2_{70}/M_{\odot }) \in [8,10.4]$, is dominated by the faint and luminous blue populations, the latter dominating at larger masses in this interval. Their total contribution to ΩH i is $\sim 55\!-\!70{{\ \rm per\ cent}}$, the variation depending on the definition of population. The dominant populations at the low-mass end, $\log _{10}(M_{\rm{H\,{\small I}}}h^2_{70}/M_{\odot }) \le 8.0$ are the faint blue and faint bluer populations, the latter’s dominance being sensitive to its definition. The full blue (blue–bluer luminous and faint) population represents $\sim 80{{\ \rm per\ cent}}$ of ΩH i. A bimodal HIMF suggested by our results is however not seen since the amplitude of the HIMF of the luminous red population is small compared to that of the luminous blue population.

Dutta, Saili↗

DOE OSTI2021

A study of outer disc stellar populations of face-on star-forming galaxies in SDSS-IV MaNGA: causes of H α deficiency

ABSTRACT Integral field unit spectra of face-on star-forming galaxies from the MaNGA survey are stacked in radial bins so as to reach an S/N high enough to measure emission lines and Lick indices out to 2.5–3Re. Two-thirds of galaxies have stellar populations in the outer discs that are older, more metal poor, and less dusty than in the inner discs. Recent bursts of star formation have occurred more frequently in the outer disc, but extinction-corrected H α equivalent widths are significantly lower at fixed Dn(4000) in these regions. I examine the properties of a subset of galaxies with the most H α-deficient outer discs. These regions contain young stellar populations that must have formed within the last 0.5 Gyr, but have extinction-corrected H α values well below the values predicted for a standard Kroupa initial mass function. The H α-deficient galaxies have flat Dn(4000) and H δA profiles with little radial fluctuation, indicating that star formation has occurred extremely uniformly across the entire disc. The H α line profiles indicate that the ionized gas kinematics is also very regular across the disc. The main clue to the origin of the H α deficiency is that it sets in at the same radius where the dust extinction abruptly decreases, suggesting a mode of star formation deficient in massive stars in quiescent, H i-dominated gas. Finally, I have carried out a search for galaxies with signatures of unusual H α kinematics and find that 15 per cent of the sample exhibits evidence for significant ionized gas that is displaced from the systemic velocity of the disc.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Cosmological constraints from H ii starburst galaxy, quasar angular size, and other measurements

ABSTRACT We compare the constraints from two (2019 and 2021) compilations of H ii starburst galaxy (H iiG) data and test the model independence of quasar (QSO) angular size data using six spatially flat and non-flat cosmological models. We find that the new 2021 compilation of H iiG data generally provides tighter constraints and prefers lower values of cosmological parameters than those from the 2019 H iiG data. QSO data by themselves give relatively model-independent constraints on the characteristic linear size, lm, of the QSOs within the sample. We also use Hubble parameter [H(z)], baryon acoustic oscillation (BAO), Pantheon Type Ia supernova (SN Ia) apparent magnitude (SN-Pantheon), and DES-3 yr binned SN Ia apparent magnitude (SN-DES) measurements to perform joint analyses with H iiG and QSO angular size data, since their constraints are not mutually inconsistent within the six cosmological models we study. A joint analysis of H(z), BAO, SN-Pantheon, SN-DES, QSO, and the newest compilation of H iiG data provides almost model-independent summary estimates of the Hubble constant, $H_0=69.7\pm 1.2\ \rm {km\,s^{-1}\,Mpc^{-1}}$, the non-relativistic matter density parameter, $\Omega _{\rm m_0}=0.293\pm 0.021$, and lm = 10.93 ± 0.25 pc.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Linking NH$^+_4$ motion to magnetism in molecular multiferroic (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]: A neutron vibrational spectroscopy study

Here, we present a neutron vibrational spectroscopy study to investigate the influence of NH$^+_4$ motion on the magnetism in [(NH 4 ) 1–x K x ] 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]. The parent compounds, (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)] (x = 0) and K 2 ⁡[FeCl 5 ⁢(H 2 ⁢O)]⁢(x = 1) are isostructural at room temperature, yet displaying drastically different magnetic and multiferroic behavior. K 2 ⁡[FeCl 5 ⁢(H 2 ⁢O)] is nonmultiferroic with type-A collinear antiferromagnetic structure below T N ≈ 14.06 K, whereas (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)] is a type-II multiferroic with incommensurate cycloidal spin structure below T FE ≈ 6.8 K. A recent study of the dielectric, structure, and magnetic properties in the mixed [(NH 4 ) 1–x ⁢K x ] 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)] shows that a small amount of potassium substitution to replace NH$^+_4$ transforms the spin structure from incommensurate cycloidal (x ≤ 0.06) into commensurate collinear antiferromagnetic (x ≥ 0.15), indicating NH$^+_4$ is essential to the emergent phenomena observed in this molecular multiferroic compound. Our vibrational spectroscopy study reveals that NH$^+_4$ libration and torsion motion exhibit substantial temperature dependence at low temperatures. The intensity of NH$^+_4$ libration and torsion modes increases slightly at 5 K in comparison with data at 25 K behaving like a magnon, indicating that they are coupled to the magnetism in (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]. Comparing data of x=0, 0.06, 0.09, and 0.15 samples further illustrates that the strength of the increased signal in NH$^+_4$ libration mode is very sensitive to potassium concentration. The signal diminishes quickly with increasing potassium concentration and vanishes in the x = 0.15 sample corresponding to the magnetic structure change for x ≥ 0.15. The results directly link the anomalous behavior in NH$^+_4$ libration motion to the magnetism in [(NH 4 ) 1–x ⁢K x ] 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)], providing new insights into the crucial role NH$^+_4$ plays in the coupled phenomena in (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]. The unique information opens a new door to go through in searching for new multifunctional materials by incorporation of NH 4 via a material-by-design approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Prospects for exotic h → 4 τ decays in single and di-Higgs boson production at the LHC and future hadron colliders

We study the prospects for observing exotic decays of the Standard Model Higgs boson h into light beyond the Standard Model scalars a with mass m a ≲ m h / 2 in the single Higgs and Higgs pair production channels at the high luminosity run of the Large Hadron Collider (HL-LHC). Discovery prospects for single Higgs production in the gluon-gluon fusion and vector boson fusion modes with the Higgs boson decaying via the exotic mode h → a a → 4 τ are analyzed at the HL-LHC. The projected sensitivity for exotic Higgs decays in the nonresonant Higgs pair production channel p p → h h → ( h → b b ¯ ) ( h → a a → 4 τ ) → 2 b 4 τ at the HL-LHC and a future s = 100 TeV hadron collider (FCC-hh) are also estimated. Furthermore, we study HL-LHC’s potential reach for the Higgs-strahlung process in the 2 b 4 τ channel, taking into account the contamination from nonresonant Higgs pair production. Finally, the potential reach for resonant Higgs pair production in the 2 b 4 τ channel at the HL-LHC is also explored for several choices of { m H , m a } . Our studies suggest that significant improvements over existing bounds are achievable in several production channels, motivating new dedicated searches for h → a a → 4 τ at the HL-LHC and future colliders. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2021

A CO-to-H{sub 2} Ratio of ≈10{sup -5} toward the Herbig Ae Star HK Ori

Measurements of gas mass in protoplanetary gas disks form the basis for estimating the conditions of planet formation. Among the most important constraints derived from disk diagnostics are the abundances of gas-phase species critical for understanding disk chemistry. Toward this end, we present direct line-of-sight measurements of H{sub 2} and CO, employing UV absorption spectroscopy from Hubble Space Telescope Cosmic Origins Spectrograph to characterize disk composition, molecular excitation temperatures, and spatial distribution in the circumstellar material around the Herbig Ae stars HK Ori and T Ori. We observe strong CO (N(CO) = 10{sup 15.5} cm{sup −2}; T {sub rot}(CO) = 19 K) and H{sub 2} (N(H{sub 2}) = 10{sup 20.34} cm{sup −2}; T {sub rot}(H{sub 2}) = 141 K) absorption toward HK Ori with a CO/H{sub 2} ratio of (≡N(CO)/N(H{sub 2})) = 1.3{sub −0.7}{sup +1.6} × 10{sup −5}. These measurements place direct empirical constraints on the CO-to-H{sub 2} conversion factor in the disk around a Herbig Ae star for the first time, although there is uncertainty concerning the exact viewing geometry of the disk. The spectra of T Ori show CO (N(CO) = 10{sup 14.9} cm{sup −2}; T {sub rot}(CO) = 124 K) absorption. Interestingly, we do not detect any H{sub 2} absorption toward this star (N(H{sub 2}) < 10{sup 15.9} cm{sup −2}). We discuss a potential scenario for the detection of CO without H{sub 2}, which deserves further investigation. The low abundance ratio measured around HK Ori suggests significant depletion of CO in the circumstellar gas, which conforms with the handful of other recent CO abundance measurements in protoplanetary disks.

47 OTHER INSTRUMENTATION↗

NASA NTRS2005

Some Improvements in H-PDLCs

Some improvements have been made in the formulation of holographically formed polymer-dispersed liquid crystals (H-PDLCs) and in the fabrication of devices made from these materials, with resulting improvements in performance. H-PDLCs are essentially volume Bragg gratings. Devices made from H-PDLCs function as electrically switchable reflective filters. Heretofore, it has been necessary to apply undesirably high drive voltages in order to switch H-PDLC devices. Many scientific papers on H-PDLCs and on the potential utility of H-PDLC devices for display and telecommunication applications have been published. However, until now, little has been published about improving quality control in synthesis of H-PDLCs and fabrication of H-PDLC devices to minimize (1) spatial nonuniformities within individual devices, (2) nonuniformities among nominally identical devices, and (3) variations in performance among nominally identical devices. The improvements reported here are results of a research effort directed partly toward solving these quality-control problems and partly toward reducing switching voltages. The quality-control improvements include incorporation of a number of process controls to create a relatively robust process, such that the H-PDLC devices fabricated in this process are more nearly uniform than were those fabricated in a prior laboratory-type process. The improved process includes ultrasonic mixing, ultrasonic cleaning, the use of a micro dispensing technique, and the use of a bubble press.

Crawford, Gregory P.↗

DOE OSTI2025

Differential cross-section measurements of Higgs boson production in the H → τ + τ - decay channel in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

Differential measurements of Higgs boson production in the τ-lepton-pair decay channel are presented in the gluon fusion, vector-boson fusion (VBF), VH and $t\overline{t}H$ associated production modes, with particular focus on the VBF production mode. The data used to perform the measurements correspond to 140 fb -1 of proton-proton collisions collected by the ATLAS experiment at the LHC. Two methods are used to perform the measurements: the Simplified Template Cross-Section (STXS) approach and an Unfolded Fiducial Differential measurement considering only the VBF phase space. For the STXS measurement, events are categorized by their production mode and kinematic properties such as the Higgs boson’s transverse momentum (${p}_{\textrm{T}}^{\textrm{H}}$ ), the number of jets produced in association with the Higgs boson, or the invariant mass of the two leading jets (mjj). For the VBF production mode, the ratio of the measured cross-section to the Standard Model prediction for m jj > 1.5 TeV and ${p}_{\textrm{T}}^{\textrm{H}}$ > 200 GeV (${p}_{\textrm{T}}^{\textrm{H}}$ < 200 GeV) is ${1.29}_{-0.34}^{+0.39}$ (${0.12}_{-0.33}^{+0.34}$ ). This is the first VBF measurement for the higher-${p}_{\textrm{T}}^{\textrm{H}}$ criteria, and the most precise for the lower-${p}_{\textrm{T}}^{\textrm{H}}$ criteria. The fiducial cross-section measurements, which only consider the kinematic properties of the event, are performed as functions of variables characterizing the VBF topology, such as the signed ΔΦ jj between the two leading jets. The measurements have a precision of 30%–50% and agree well with the Standard Model predictions. These results are interpreted in the SMEFT framework, and place the strongest constraints to date on the CP-odd Wilson coefficient ${c}_{H\overset{\sim }{W}}$ .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗