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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Measuring the thermal and ionization state of the low- z IGM using likelihood free inference

ABSTRACT We present a new approach to measure the power-law temperature density relationship $T=T_0 (\rho/ \bar{\rho })^{\gamma -1}$ and the UV background photoionization rate $\Gamma _{{{{\rm H\, {\small I}}}}{}}$ of the intergalactic medium (IGM) based on the Voigt profile decomposition of the Ly α forest into a set of discrete absorption lines with Doppler parameter b and the neutral hydrogen column density $N_{\rm H\, {\small I}}$. Previous work demonstrated that the shape of the $b-N_{{{{\rm H\, {\small I}}}}{}}$ distribution is sensitive to the IGM thermal parameters T0 and γ, whereas our new inference algorithm also takes into account the normalization of the distribution, i.e. the line-density dN/dz, and we demonstrate that precise constraints can also be obtained on $\Gamma _{{{{\rm H\, {\small I}}}}{}}$. We use density-estimation likelihood-free inference (DELFI) to emulate the dependence of the $b-N_{{{{\rm H\, {\small I}}}}{}}$ distribution on IGM parameters trained on an ensemble of 624 nyx hydrodynamical simulations at z = 0.1, which we combine with a Gaussian process emulator of the normalization. To demonstrate the efficacy of this approach, we generate hundreds of realizations of realistic mock HST/COS data sets, each comprising 34 quasar sightlines, and forward model the noise and resolution to match the real data. We use this large ensemble of mocks to extensively test our inference and empirically demonstrate that our posterior distributions are robust. Our analysis shows that by applying our new approach to existing Ly α forest spectra at z ≃ 0.1, one can measure the thermal and ionization state of the IGM with very high precision ($\sigma _{\log T_0} \sim 0.08$ dex, σγ ∼ 0.06, and $\sigma _{\log \Gamma _{{{{\rm H\, {\small I}}}}{}}} \sim 0.07$ dex).

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluating Use of Boron- and Hafnium-Modified Polysilazanes for Ceramic Matrix Minicomposites

In this study, the potential of polymer-derived Ceramic Matrix Composites (CMCs) is demonstrated by addition of thin ceramic coatings on Carbon Fiber (CF) bundles. Boron- and hafnium- modified polysilazane liquid precursors were synthesized and used to infiltrate the fiber bundles of CF to fabricate lab-scale Si(B)CN/CF and Si(Hf)CN/CF CMC mini-composites, respectively. The precursor-to-ceramic conversion process was achieved at 800°C with crosslinked precursor to ceramic yield of approx. 90% in Ar environment. The Si(B)CN/CF contained Si-N and B-N bonds, while Si-N and Hf-O-Si bonds were observed for Si(Hf)CN/CF sample with uniform and dense surfaces. Room-temperature tensile tests showed that the Si(Hf)CN/CF sample could reach a tensile strength of ~790 MPa and elastic modulus of 66.88 GPa among the composites. Oxidation study of the Si(Hf)CN/CF mini-composites showed higher stability compared to SiCN/CF and Si(B)CN/CF mini-composites up to 1500°C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurements of the thermal and ionization state of the intergalactic medium during the cosmic afternoon

We perform the first measurement of the thermal and ionization state of the intergalactic medium (IGM) across 0.9 < z < 1.5 using 301 Ly α absorption lines fitted from 12 archival Hubble Space Telescope Space Telescope Imaging Spectrograph quasar spectra. We employ the machine-learning-based inference method that uses joint Doppler parameter–column density (⁠b-N HI ⁠) distributions obtained from Ly α forest decomposition. Our results show that the Γ HI photoionization rates, ⁠, agree with recent ultraviolet background synthesis models, with log(Γ HI /s -1 ) = $-11.79^{+0.18}_{-0.15}$, $-11.98^{+0.09}_{-0.09}$⁠, and $-12.32^{+0.10}_{-0.12}$⁠, at z = 1.4, 1.2, and 1, respectively. We obtain the IGM temperature at the mean density, T 0 ⁠, and the adiabatic index, γ⁠, as [log(T 0 /K), γ] = $[4.13^{+0.12}_{-0.10}, 1.34^{+0.10}_{-0.15}]$, $[3.79^{+0.11}_{-0.11}, 1.70^{+0.09}_{-0.09}]$, and $[4.12^{+0.15}_{-0.25}, 1.34^{+0.21}_{-0.26}]$ at z = 1.4⁠, 1.2, and 1. Our measurements of T 0 at z = 1.4 and 1.2 are consistent with the trend predicted from previous z < 3 temperature measurements and theoretical expectations, where the IGM cools down after $He\tiny{II}$ reionization in the absence of any non-standard heating. However, our T 0 measurement at z = 1 unexpectedly high IGM temperature. Given the relatively large uncertainty in these measurements, where σ T$_0$ ~ 5000 K, mostly emanating from the limited size of our data set, we cannot conclude whether the IGM cools down as expected. Lastly, we generate mock data sets to test the constraining power of future measurement with larger data sets. The results demonstrate that, with redshift path-length Δz ~ 2 for each redshift bin, three times the current data set, we can constrain the T 0 of IGM within 1500 K, which would be sufficient to constrain the IGM thermal history at z < 1.5 conclusively.

79 ASTRONOMY AND ASTROPHYSICS↗

Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes

Boron nitride nanotubes (BNNTs), the one-dimensional member of the boron nitride nanostructure family, are generally accepted to be highly inert to oxidative treatments and can only be covalently modifi ed by highly reactive species. Conversely, it is discovered that the BNNTs can be chemically dispersed and their morphology modifi ed by a relatively mild method: simply sonicating the nanotubes in aqueous ammonia solution. The dispersed nanotubes are significantly corroded, with end-caps removed, tips sharpened, and walls thinned. The sonication treatment in aqueous ammonia solution also removes amorphous BN impurities and shortened BNNTs, resembling various oxidative treatments of carbon nanotubes. Importantly, the majority of BNNTs are at least partially longitudinally cut, or "unzipped". Entangled and freestanding BN nanoribbons (BNNRs), resulting from the unzipping, are found to be approximately 5-20 nm in width and up to a few hundred nanometers in length. This is the fi rst chemical method to obtain BNNRs from BNNT unzipping. This method is not derived from known carbon nanotube unzipping strategies, but is unique to BNNTs because the use of aqueous ammonia solutions specifi cally targets the B-N bond network. This study may pave the way for convenient processing of BNNTs, previously thought to be highly inert, toward controlling their dispersion, purity, lengths, and electronic properties.

Liao, Yunlong↗

B—N–Bond–Embedded Triplet Terpolymers with Small Singlet–Triplet Energy Gaps for Suppressing Non–Radiative Recombination and Improving Blend Morphology in Organic Solar Cells

Suppressing the photon energy loss (E loss ), especially the non-radiative loss, is of importance to further improve the device performance of organic solar cells (OSCs). However, typical π-conjugated semiconductors possess a large singlet–triplet energy gap (ΔE ST ), leading to a lower triplet state than charge transfer state and contributing to a non-radiative loss channel of the photocurrent by the triplet state. Herein, a series of triplet polymer donors are developed by introducing a BNIDT block into the PM6 polymer backbone. Further, the high electron affinity of BNIDT and the opposite resonance effect of the B—N bond in BNIDT results in a lowered highest occupied molecular orbital (HOMO) and a largely reduced ΔE ST . Moreover, the morphology of the active blends is also optimized by fine-tuning the BNIDT content. Therefore, non-radiative recombination via the terminal triplet loss channels and morphology traps is effectively suppressed. The PNB-3 (with 3% BNIDT):L8-BO device exhibits both small ΔE ST and optimized morphology, favoring more efficient charge transfer and transport. Finally, the simultaneously enhanced V oc of 0.907 V, J sc of 26.59 mA cm –2 , and FF of 78.86% contribute to a champion PCE of 19.02%. Therefore, introducing B—N bonds into benchmark polymers is a possible avenue toward higher-performance of OSCs.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Boron Nitride-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is beta beryllia structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. B3+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing BN4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.60 Å) B–N bond length. N3- is bonded to four equivalent B3+ atoms to form a mixture of edge and corner-sharing NB4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.43 Å) and one longer (1.54 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.48 Å) B–N bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.52 Å) B–N bond length. In the fourth B3+ site, B3+ is bonded to four N3- atoms to form corner-sharing BN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.53–1.57 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to four B3+ atoms to form corner-sharing NB4 tetrahedra. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. B3+ is bonded to four equivalent N3- atoms to form corner-sharing BN4 tetrahedra. All B–N bond lengths are 1.57 Å. N3- is bonded to four equivalent B3+ atoms to form corner-sharing NB4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. B3+ is bonded to four equivalent N3- atoms to form corner-sharing BN4 tetrahedra. There is three shorter (1.57 Å) and one longer (1.58 Å) B–N bond length. N3- is bonded to four equivalent B3+ atoms to form corner-sharing NB4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Boron Nitride-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.45 Å) and one longer (1.47 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on B13N2 by Materials Project

B13N2 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron, metallic molecules and three B7N2 clusters. In each B7N2 cluster, there are two inequivalent B+0.23+ sites. In the first B+0.23+ site, B+0.23+ is bonded in a single-bond geometry to one N+1.50- atom. The B–N bond length is 1.57 Å. In the second B+0.23+ site, B+0.23+ is bonded in a linear geometry to two equivalent N+1.50- atoms. Both B–N bond lengths are 1.43 Å. N+1.50- is bonded to four B+0.23+ atoms to form corner-sharing NB4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BN sheet oriented in the (1, 0, 0) direction. B3+ is bonded in a distorted trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.41 Å) and two longer (1.48 Å) B–N bond length. N3- is bonded in a distorted T-shaped geometry to three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. B3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing BN6 pentagonal pyramids. All B–N bond lengths are 1.81 Å. N3- is bonded to six equivalent B3+ atoms to form a mixture of edge, corner, and face-sharing NB6 octahedra. The corner-sharing octahedral tilt angles are 47°.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Boron Nitride-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is SC16 CuCl, stable at 5GPa-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. B3+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing BN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.51–1.65 Å. N3- is bonded to four equivalent B3+ atoms to form a mixture of distorted edge and corner-sharing NB4 trigonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Boron Nitride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BN by Materials Project

BN is Boron Nitride-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗