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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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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

BETO 2021 Peer Review - Catalytic Upgrading of Biochemical Intermediates (CUBI) 2.3.1.101-104

The Catalytic Upgrading of Biochemical Intermediates (CUBI) project is a multi-lab effort within ChemCatBio (CCB) that is focused on improving the catalytic upgrading of intermediates from biochemical deconstruction and/or biological conversion (i.e. fermentation) to fuels and chemical co-products. This is accomplished by developing catalysts with improved performance and durability, mitigating the impact of biogenically-derived inhibitors (including water), and evaluating intensified processes to reduce separations requirements and improve carbon utilization. Specific catalytic upgrading routes being developed are: 1) fermentation-derived 2,3-butanediol (BDO); 2) fermentation-derived carboxylic acids; and 3) lignocellulosic sugar-derived furfurals. These routes represent key technology pathways being investigated within BETO's biochemical conversion portfolio. By utilizing experimental and characterization capabilities and modeling tools across the 4 CUBI labs and collaborations with CCB Enabling Projects, the CUBI project is advancing catalytic upgrading process performance and robustness. Its impact is already well-established by several high-impact journal articles and patent publications, along with industrial engagement in related, competitively-awarded collaborations. The CUBI project will result in >25% MFSP cost reduction in the catalytic upgrading section of integrated biochemical conversion routes, as quantified by ongoing TEA modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Materials Data on CuBi(PSe3)2 by Materials Project

CuBi(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two CuBi(PSe3)2 sheets oriented in the (0, 0, 1) direction. Cu1+ is bonded to six equivalent Se2- atoms to form CuSe6 octahedra that share edges with three equivalent BiSe6 octahedra. All Cu–Se bond lengths are 2.69 Å. Bi1+ is bonded to six equivalent Se2- atoms to form BiSe6 octahedra that share edges with three equivalent CuSe6 octahedra. All Bi–Se bond lengths are 2.99 Å. P5+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a 3-coordinate geometry to one Cu1+, one Bi1+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuBi by Materials Project

CuBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded in a body-centered cubic geometry to two equivalent Cu and six equivalent Bi atoms. Both Cu–Cu bond lengths are 2.57 Å. All Cu–Bi bond lengths are 2.86 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuBi(WO4)2 by Materials Project

CuBi(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent BiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–55°. There are a spread of W–O bond distances ranging from 1.82–2.20 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent BiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 35–55°. There are a spread of W–O bond distances ranging from 1.82–2.20 Å. Cu1+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.86–2.71 Å. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with eight WO6 octahedra. The corner-sharing octahedra tilt angles range from 35–55°. There are a spread of Bi–O bond distances ranging from 2.37–2.40 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two W6+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two W6+ and one Cu1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Cu1+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one W6+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two W6+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two W6+ and one Cu1+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one W6+, one Cu1+, and one Bi3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuBi(PO4)2 by Materials Project

CuBi(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cu1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.97 Å. Bi5+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with four PO4 tetrahedra and an edgeedge with one PO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.24–2.45 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one BiO6 octahedra and an edgeedge with one BiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Bi5+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Bi5+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu1+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3(CuBi)4 by Materials Project

Mn3Cu4Bi4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to four equivalent Cu and six Bi atoms. All Mn–Cu bond lengths are 2.73 Å. There are two shorter (3.01 Å) and four longer (3.04 Å) Mn–Bi bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Mn, three equivalent Cu, and four Bi atoms. All Cu–Cu bond lengths are 2.65 Å. There are three shorter (2.82 Å) and one longer (2.93 Å) Cu–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Mn and four equivalent Cu atoms. In the second Bi site, Bi is bonded in a distorted q6 geometry to six equivalent Mn and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Techno-Economic Assessment for the Production of Hydrocarbon Fuels via Catalytic Upgrading of Furans

This technical report documents the techno-economic analysis (TEA) implications of a biochemical/catalytic pathway for the production of long-chain hydrocarbon fuels in support to the multi-lab Catalytic Upgrading of Biochemical Intermediates (CUBI) project within the Chemical Catalysis for Bioenergy Consortium (ChemCatBio). Two distinct conceptual biorefineries centered around the process encompassing sugar dehydration to furans, aldol condensation between furans and a ketone (methyl ethyl ketone [MEK]), and a final step of hydrotreating to obtain hydrocarbons in the C 14 -C 16 range are considered: an integrated plant that simultaneously produces both furans (furfural and HMF) and ketone (MEK via 2,3-butanediol [BDO]) from sugars and a dedicated facility focused on producing furans from corn stover hydrolysate and procuring the ketone externally. In either plant, the main coproducts are adipic acid (derived from lignin) and sodium sulfate. The results from the assessment are quite comparable to those reported in previous design case focused on biological conversion of sugars to fermentation intermediates with subsequent catalytic upgrading of those intermediates to hydrocarbon fuels, thus presenting another viable alternative pathway to achieve similar fuel cost targets through purely catalytic upgrading of sugars. Since this study considers long-term performance targets for the full pathway dedicated to sugar upgrading to fuels, the critical remaining research points needed to achieve future cost goals are also discussed. Finally, this report presents a single-point sensitivity analysis around selected parameters to identify the major cost drivers of the biorefineries and provides a qualitative discussion on additional opportunities for cost reduction within the proposed concepts, namely through adding value to furans, to coproducts that may be obtained following BDO dehydration, and to lignin through alternative pathways.

09 BIOMASS FUELS↗
NASA NTRS2016

Radiation Failures in Intel 14nm Microprocessors

In this study the 14 nm Intel Broadwell 5th generation core series 5005U-i3 and 5200U-i5 was mounted on Dell Inspiron laptops, MSI Cubi and Gigabyte Brix barebones and tested with Windows 8 and CentOS7 at idle. Heavy-ion-induced hard- and catastrophic failures do not appear to be related to the Intel 14nm Tri-Gate FinFET process. They originate from a small (9 m 140 m) area on the 32nm planar PCH die (not the CPU) as initially speculated. The hard failures seem to be due to a SEE but the exact physical mechanism has yet to be identified. Some possibilities include latch-ups, charge ion trapping or implantation, ion channels, or a combination of those (in biased conditions). The mechanism of the catastrophic failures seems related to the presence of electric power (1.05V core voltage). The 1064 nm laser mimics ionization radiation and induces soft- and hard failures as a direct result of electron-hole pair production, not heat. The 14nm FinFET processes continue to look promising for space radiation environments.

Microprocessors↗