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Materials Data on SiB4 by Materials Project

SiB4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to five B and two Si atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. There are one shorter (2.01 Å) and one longer (2.63 Å) B–Si bond lengths. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) B–B bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to three equivalent B and one Si atom. The Si–Si bond length is 2.17 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to six equivalent B and two equivalent Si atoms.

36 MATERIALS SCIENCE↗

A Two Phase HfB2-SiB4 Material

A two phase HfB2-SiB4 material which is useful as a high temperature oxidation resistant coating. This invention relates to ceramic coatings and more particularly to ceramic coatings containing metal borides. Boride materials are known to have good oxidation resistance, with HfB2 considered to be the best pure boride for oxidation applications. It has been shown that the addition of 10 to 20 percent SiC to HfB2 increases the oxidation resistance. The HfB2-SiC materials are prepared by hot pressing powder mixtures. Hot pressing powder mixtures has limited ability to produce fine grained multiphase materials due to particle coarsening during the sintering process. Additionally, the purity of the final monolithic structure is limited to the purity of the starting powders. Chemical vapor deposition (CVD) offers a method of producing highly pure multiphase ceramics, with better control of microstructure. Researchers have tried to produce HfB2-SiC coatings by CVD but without success.

SILICON COMPOUNDS↗

Materials Data on Ho5(SiB4)2 by Materials Project

Ho5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to nine B and three equivalent Si atoms. There are a spread of Ho–B bond distances ranging from 2.62–2.95 Å. There are one shorter (3.04 Å) and two longer (3.11 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to two equivalent B and four equivalent Si atoms to form corner-sharing HoSi4B2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Ho–B bond lengths are 2.71 Å. All Ho–Si bond lengths are 2.89 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Ho and five B atoms. There are a spread of B–B bond distances ranging from 1.75–1.83 Å. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Ho and three B atoms. The B–B bond length is 1.83 Å. In the third B site, B is bonded in a 9-coordinate geometry to five Ho and four equivalent B atoms. Si is bonded in a 9-coordinate geometry to eight Ho and one Si atom. The Si–Si bond length is 2.35 Å.

36 MATERIALS SCIENCE↗

A Modified Vegetation Photosynthesis and Respiration Model (VPRM) for the Eastern USA and Canada, Evaluated With Comparison to Atmospheric Observations and Other Biospheric Models

Atmospheric CO 2 measurements from a dense surface network can help to evaluate terrestrial biosphere model (TBM) simulations of Net Ecosystem Exchange (NEE) with two key benefits. First, gridded CO 2 flux estimates can be evaluated over regional scales, not possible using flux tower observations at discrete locations for model evaluation. Second, TBM ability to explain atmospheric CO 2 fluctuations due to the biosphere can be directly tested, an important objective for anthropogenic emissions monitoring using atmospheric observations. Here, we customize the Vegetation Photosynthesis and Respiration Model (VPRM) for an eastern North American domain with strong biological activity upwind of urban areas. Parameters are optimized using flux tower observations from a historical database with sites in (and near) the domain. In addition, the respiration model (originally a linear function of temperature) is modified to account for impacts of changing foliage, non-linear temperature, and water stress. Flux estimates from VPRM, the Carnegie-Ames-Stanford Approach (CASA) model and the Simple Biosphere Model v4 (SiB4), are convolved with footprints from atmospheric transport models for evaluation with CO 2 observations at 21 towers in the domain, with roughly half of the towers used here for the first time. Results show that the new respiration model in VPRM helps to correct a growing season sink bias in the atmosphere associated with underestimated summertime respiration using the original model with annual parameters. The new VPRM also better explains fine-scale atmospheric CO 2 variability compared to other TBMs, due to higher resolution diagnostic phenology, the new respiration model, domain-specific parameters, and high-quality input data sets.

54 ENVIRONMENTAL SCIENCES↗

Materials Data on SiB by Materials Project

BSi is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. B is bonded to four equivalent Si atoms to form corner-sharing BSi4 tetrahedra. There are one shorter (1.99 Å) and three longer (2.06 Å) B–Si bond lengths. Si is bonded to four equivalent B atoms to form corner-sharing SiB4 tetrahedra.

36 MATERIALS SCIENCE↗

Silicon carbide sintered body manufactured from silicon carbide powder containing boron, silicon and carbonaceous additive

A silicon carbide powder of a 5-micron grain size is mixed with 0.15 to 0.60 wt% mixture of a boron compound, i.e., boric acid, boron carbide (B4C), silicon boride (SiB4 or SiB6), aluminum boride, etc., and an aluminum compound, i.e., aluminum, aluminum oxide, aluminum hydroxide, aluminum carbide, etc., or aluminum boride (AlB2) alone, in such a proportion that the boron/aluminum atomic ratio in the sintered body becomes 0.05 to 0.25 wt% and 0.05 to 0.40 wt%, respectively, together with a carbonaceous additive to supply enough carbon to convert oxygen accompanying raw materials and additives into carbon monoxide.

Tanaka, Hidehiko↗

Boron-containing organosilane polymers and ceramic materials thereof

The present invention relates to organic silicon-boron polymers which upon pyrolysis produce high-temperature ceramic materials. More particularly, it relates to the polyorganoborosilanes containing -Si-B- bonds which generate high-temperature ceramic materials (e.g., SiC, SiB4, B4C) upon thermal degradation. The process for preparing these organic silicon-boron polymer precursors are also part of the invention.

Riccitiello, Salvatore R.↗

Boron-containing organosilane polymers and ceramic materials thereof

The present invention relates to a polyorgano borosilane ceramic precursor polymer comprising a plurality of repeating units of the formula: (R(sup 1) single bond B)(sub p) being linked together at B by second units of the formula: single bond (R sup 2) single bond (Si single bond R sup 3) single bond (sub q), where R(sup 1) is a lower alkyl, cycloalkyl, phenyl, or (R(sup 2)R(sup 3) single bond Si single bond B single bond)(sub n) and R(sup 2) and R(sup 3) are each independently selected from hydrogen, lower alkyl, vinyl, cycloalkyl, or aryl, n is an integer between 1 and 100; p is an integer between 1 and 100; and q is an integer between 1 and 100. These materials are prepared by combining an organo borohalide of the formula R(sup 4) single bond B single bond (X sup 1) (sub 2) where R(sup 4) is selected from halogen, lower alkyl, cycloalkyl, or aryl, and an organo halosilane of the formula: R(sup 2)(R sup 3)Si(X sup 2)(sub 2) where R(sup 2) and R (sup 3) are each independently selected from lower alkyl, cycloalkyl, or aryl, and X(sup 1) and X(sup 2) are each independently selected from halogen, in an anhydrous aprotic solvent having a boiling point at ambient pressure of not greater than 160 C with in excess of four equivalents of an alkali metal, heating the reaction mixture and recovering the polyorgano borosilane. These silicon boron polymers are useful to generate high-temperature ceramic materials, such as SiC, SiB4, and B4C, upon thermal degradation above 600 C.

Riccitiello, Salvatore R.↗

Ceramic fibers from Si-B-C polymer precursors

Non-oxide ceramics such as silicon carbide (SiC), silicon nitride (Si3N4), and silicon borides (SiB4, SiB6) have thermal stability, oxidation resistance, hardness, and varied electrical properties. All these materials can be prepared in a fiber form from a suitable polymer precursor. The above mentioned fibers, when tested over a temperature range from 25 to 1400 C, experience degradation at elevated temperatures. Past work in ceramic materials has shown that the strength of ceramics containing both carbides and borides is sustained at elevated temperatures, with minimum oxidation. The work presented here describes the formation of ceramic fibers containing both elements, boron and silicon, prepared via the polymer precursor route previously reported by the authors, and discusses the fiber mechanical properties that are retained over the temperature range studied.

Riccitiello, S. R.↗