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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Understanding Multifamily Energy Use in the Rochester-Buffalo and Erie, PA Area: Building Stock Segmentation for Retrofit Planning

This report is an addendum to a publication series that focuses on approximately 100 different local geographies, or "clusters". This addendum expands the report series to include large multifamily building characteristics as well as energy and emission data for each local geography. The intention of this addendum is to help policymakers at the city, county, and state levels better understand building energy use and emissions in large multifamily buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Materials Data on MgPa3 by Materials Project

MgPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pa atoms to form MgPa12 cuboctahedra that share corners with four equivalent MgPa12 cuboctahedra, corners with eight equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen equivalent PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Mg–Pa bond lengths are 3.24 Å. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Mg and eight equivalent Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with four equivalent PaMg4Pa8 cuboctahedra, corners with eight equivalent MgPa12 cuboctahedra, edges with twenty-four PaMg4Pa8 cuboctahedra, faces with six equivalent MgPa12 cuboctahedra, and faces with twelve PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å. In the second Pa site, Pa is bonded to four equivalent Mg and eight Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with twelve equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaFe3 by Materials Project

PaFe3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to twelve Fe atoms to form PaFe12 cuboctahedra that share corners with six equivalent PaFe12 cuboctahedra, corners with twelve FePa4Fe8 cuboctahedra, edges with eighteen FePa4Fe8 cuboctahedra, faces with eight PaFe12 cuboctahedra, and faces with twelve FePa4Fe8 cuboctahedra. There are a spread of Pa–Fe bond distances ranging from 2.67–2.88 Å. In the second Pa site, Pa is bonded to twelve Fe atoms to form PaFe12 cuboctahedra that share corners with six equivalent PaFe12 cuboctahedra, corners with twelve FePa4Fe8 cuboctahedra, edges with eighteen FePa4Fe8 cuboctahedra, faces with eight PaFe12 cuboctahedra, and faces with twelve FePa4Fe8 cuboctahedra. There are a spread of Pa–Fe bond distances ranging from 2.67–2.87 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to four Pa and eight Fe atoms to form distorted FePa4Fe8 cuboctahedra that share corners with four equivalent PaFe12 cuboctahedra, corners with fourteen FePa4Fe8 cuboctahedra, edges with six PaFe12 cuboctahedra, edges with twelve FePa4Fe8 cuboctahedra, faces with four PaFe12 cuboctahedra, and faces with sixteen FePa4Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.50–2.88 Å. In the second Fe site, Fe is bonded to four Pa and eight Fe atoms to form distorted FePa4Fe8 cuboctahedra that share corners with four equivalent PaFe12 cuboctahedra, corners with fourteen FePa4Fe8 cuboctahedra, edges with six PaFe12 cuboctahedra, edges with twelve FePa4Fe8 cuboctahedra, faces with four PaFe12 cuboctahedra, and faces with sixteen FePa4Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.49–2.85 Å. In the third Fe site, Fe is bonded to four Pa and eight Fe atoms to form distorted FePa4Fe8 cuboctahedra that share corners with four equivalent PaFe12 cuboctahedra, corners with fourteen FePa4Fe8 cuboctahedra, edges with six PaFe12 cuboctahedra, edges with twelve FePa4Fe8 cuboctahedra, faces with four PaFe12 cuboctahedra, and faces with sixteen FePa4Fe8 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.77 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded to four Pa and eight Fe atoms to form distorted FePa4Fe8 cuboctahedra that share corners with four equivalent PaFe12 cuboctahedra, corners with fourteen FePa4Fe8 cuboctahedra, edges with six PaFe12 cuboctahedra, edges with twelve FePa4Fe8 cuboctahedra, faces with four PaFe12 cuboctahedra, and faces with sixteen FePa4Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.50–2.88 Å. In the fifth Fe site, Fe is bonded to four Pa and eight Fe atoms to form distorted FePa4Fe8 cuboctahedra that share corners with four equivalent PaFe12 cuboctahedra, corners with fourteen FePa4Fe8 cuboctahedra, edges with six PaFe12 cuboctahedra, edges with twelve FePa4Fe8 cuboctahedra, faces with four PaFe12 cuboctahedra, and faces with sixteen FePa4Fe8 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.86 Å) Fe–Fe bond lengths. In the sixth Fe site, Fe is bonded to four Pa and eight Fe atoms to form distorted FePa4Fe8 cuboctahedra that share corners with four equivalent PaFe12 cuboctahedra, corners with fourteen FePa4Fe8 cuboctahedra, edges with six PaFe12 cuboctahedra, edges with twelve FePa4Fe8 cuboctahedra, faces with four PaFe12 cuboctahedra, and faces with sixteen FePa4Fe8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3Al by Materials Project

Pa3Al is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with twelve equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra. All Pa–Pa bond lengths are 3.19 Å. All Pa–Al bond lengths are 3.19 Å. In the second Pa site, Pa is bonded to eight equivalent Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with four equivalent PaPa8Al4 cuboctahedra, corners with eight equivalent AlPa12 cuboctahedra, edges with twenty-four PaPa8Al4 cuboctahedra, faces with six equivalent AlPa12 cuboctahedra, and faces with twelve PaPa8Al4 cuboctahedra. All Pa–Al bond lengths are 3.19 Å. Al is bonded to twelve Pa atoms to form AlPa12 cuboctahedra that share corners with four equivalent AlPa12 cuboctahedra, corners with eight equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen equivalent PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3Tl by Materials Project

Pa3Tl is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent Tl atoms to form PaPa8Tl4 cuboctahedra that share corners with twelve equivalent PaPa8Tl4 cuboctahedra, edges with eight equivalent TlPa12 cuboctahedra, edges with sixteen PaPa8Tl4 cuboctahedra, faces with four equivalent TlPa12 cuboctahedra, and faces with fourteen PaPa8Tl4 cuboctahedra. There are four shorter (3.29 Å) and four longer (3.30 Å) Pa–Pa bond lengths. All Pa–Tl bond lengths are 3.30 Å. In the second Pa site, Pa is bonded to eight equivalent Pa and four equivalent Tl atoms to form PaPa8Tl4 cuboctahedra that share corners with four equivalent PaPa8Tl4 cuboctahedra, corners with eight equivalent TlPa12 cuboctahedra, edges with twenty-four PaPa8Tl4 cuboctahedra, faces with six equivalent TlPa12 cuboctahedra, and faces with twelve PaPa8Tl4 cuboctahedra. All Pa–Tl bond lengths are 3.29 Å. Tl is bonded to twelve Pa atoms to form TlPa12 cuboctahedra that share corners with four equivalent TlPa12 cuboctahedra, corners with eight equivalent PaPa8Tl4 cuboctahedra, edges with eight equivalent TlPa12 cuboctahedra, edges with sixteen equivalent PaPa8Tl4 cuboctahedra, faces with four equivalent TlPa12 cuboctahedra, and faces with fourteen PaPa8Tl4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3W by Materials Project

Pa3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent W atoms to form distorted PaPa8W4 cuboctahedra that share corners with twelve equivalent PaPa8W4 cuboctahedra, edges with eight equivalent PaPa8W4 cuboctahedra, edges with eight equivalent WPa12 cuboctahedra, faces with four equivalent WPa12 cuboctahedra, and faces with ten equivalent PaPa8W4 cuboctahedra. There are four shorter (3.02 Å) and four longer (3.28 Å) Pa–Pa bond lengths. All Pa–W bond lengths are 3.28 Å. In the second Pa site, Pa is bonded in a square co-planar geometry to eight equivalent Pa and four equivalent W atoms. All Pa–W bond lengths are 3.02 Å. W is bonded to twelve Pa atoms to form WPa12 cuboctahedra that share corners with four equivalent WPa12 cuboctahedra, edges with eight equivalent WPa12 cuboctahedra, edges with sixteen equivalent PaPa8W4 cuboctahedra, faces with four equivalent WPa12 cuboctahedra, and faces with eight equivalent PaPa8W4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3Re by Materials Project

Pa3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing PaPa4Re4 tetrahedra. All Pa–Pa bond lengths are 3.05 Å. All Pa–Re bond lengths are 3.05 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Re atoms. All Pa–Re bond lengths are 3.53 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Pa atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpPa3 by Materials Project

NpPa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Pa atoms to form NpPa12 cuboctahedra that share corners with four equivalent NpPa12 cuboctahedra, corners with eight equivalent PaNp4Pa8 cuboctahedra, edges with eight equivalent NpPa12 cuboctahedra, edges with sixteen equivalent PaNp4Pa8 cuboctahedra, faces with four equivalent NpPa12 cuboctahedra, and faces with fourteen PaNp4Pa8 cuboctahedra. There are four shorter (3.06 Å) and eight longer (3.29 Å) Np–Pa bond lengths. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Np and eight Pa atoms to form PaNp4Pa8 cuboctahedra that share corners with twelve equivalent PaNp4Pa8 cuboctahedra, edges with eight equivalent NpPa12 cuboctahedra, edges with sixteen PaNp4Pa8 cuboctahedra, faces with four equivalent NpPa12 cuboctahedra, and faces with fourteen PaNp4Pa8 cuboctahedra. There are four shorter (3.06 Å) and four longer (3.29 Å) Pa–Pa bond lengths. In the second Pa site, Pa is bonded to four equivalent Np and eight equivalent Pa atoms to form distorted PaNp4Pa8 cuboctahedra that share corners with four equivalent PaNp4Pa8 cuboctahedra, corners with eight equivalent NpPa12 cuboctahedra, edges with twenty-four PaNp4Pa8 cuboctahedra, faces with six equivalent NpPa12 cuboctahedra, and faces with twelve PaNp4Pa8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPa3 by Materials Project

SrPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Pa atoms to form SrPa12 cuboctahedra that share corners with four equivalent SrPa12 cuboctahedra, corners with eight equivalent PaSr4Pa8 cuboctahedra, edges with eight equivalent SrPa12 cuboctahedra, edges with sixteen equivalent PaSr4Pa8 cuboctahedra, faces with four equivalent SrPa12 cuboctahedra, and faces with fourteen PaSr4Pa8 cuboctahedra. There are eight shorter (3.37 Å) and four longer (3.39 Å) Sr–Pa bond lengths. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Sr and eight Pa atoms to form distorted PaSr4Pa8 cuboctahedra that share corners with twelve equivalent PaSr4Pa8 cuboctahedra, edges with eight equivalent SrPa12 cuboctahedra, edges with sixteen PaSr4Pa8 cuboctahedra, faces with four equivalent SrPa12 cuboctahedra, and faces with fourteen PaSr4Pa8 cuboctahedra. There are four shorter (3.37 Å) and four longer (3.39 Å) Pa–Pa bond lengths. In the second Pa site, Pa is bonded to four equivalent Sr and eight equivalent Pa atoms to form distorted PaSr4Pa8 cuboctahedra that share corners with four equivalent PaSr4Pa8 cuboctahedra, corners with eight equivalent SrPa12 cuboctahedra, edges with twenty-four PaSr4Pa8 cuboctahedra, faces with six equivalent SrPa12 cuboctahedra, and faces with twelve PaSr4Pa8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuPa3 by Materials Project

PuPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Pa atoms to form PuPa12 cuboctahedra that share corners with four equivalent PuPa12 cuboctahedra, corners with eight equivalent PaPu4Pa8 cuboctahedra, edges with eight equivalent PuPa12 cuboctahedra, edges with sixteen equivalent PaPu4Pa8 cuboctahedra, faces with four equivalent PuPa12 cuboctahedra, and faces with fourteen PaPu4Pa8 cuboctahedra. There are four shorter (3.20 Å) and eight longer (3.22 Å) Pu–Pa bond lengths. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pu and eight Pa atoms to form PaPu4Pa8 cuboctahedra that share corners with twelve equivalent PaPu4Pa8 cuboctahedra, edges with eight equivalent PuPa12 cuboctahedra, edges with sixteen PaPu4Pa8 cuboctahedra, faces with four equivalent PuPa12 cuboctahedra, and faces with fourteen PaPu4Pa8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.22 Å) Pa–Pa bond lengths. In the second Pa site, Pa is bonded to four equivalent Pu and eight equivalent Pa atoms to form PaPu4Pa8 cuboctahedra that share corners with four equivalent PaPu4Pa8 cuboctahedra, corners with eight equivalent PuPa12 cuboctahedra, edges with twenty-four PaPu4Pa8 cuboctahedra, faces with six equivalent PuPa12 cuboctahedra, and faces with twelve PaPu4Pa8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optimization of peptide amphiphile-lipid raft interaction by changing peptide amphiphile lipophilicity

Various peptide amphiphile (PA) molecules have been developed to promote bone regeneration. Previously we discovered that a peptide amphiphile with a palmitic acid tail (C 16 ) attenuates the signaling threshold of leucine-rich amelogenin peptide (LRAP)-mediated Wnt activation by increasing membrane lipid raft mobility. In the current study, we found that treatment of murine ST2 cells with an inhibitor (Nystatin) or Caveolin-1-specific siRNA abolishes the effect of C 16 PA, indicating that Caveolin-mediated endocytosis is required. Here, to determine whether hydrophobicity of the PA tail plays a role in its signaling effect, we modified the length of the tail (C 12 , C 16 and C 22 ) or composition (cholesterol). While shortening the tail (C 12 ) decreased the signaling effect, lengthening the tail (C 22 ) had no prominent effect. On the other hand, the cholesterol PA displayed a similar function as the C 16 PA at the same concentration of 0.001% w/v. Interestingly, a higher concentration of C 16 PA (0.005%) is cytotoxic while cholesterol PA at the higher concentration (0.005%) is well-tolerated by cells. Use of the cholesterol PA at 0.005% enabled a further reduction of the signaling threshold of LRAP to 0.20 nM, compared to 0.25 nM at 0.001%. Caveolin-mediated endocytosis is also required for cholesterol PA, as evidenced by Caveolin-1 siRNA knockdown experiments. We further demonstrated that the noted effects of cholesterol PA are also observed in human bone marrow mesenchymal stem cells (BMMSCs). Taken together, these results indicate that the cholesterol PA modulates lipid raft/caveolar dynamics, thereby increasing receptor sensitivity for activation of canonical Wnt signaling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Annihilating Actinic Photochemistry of the Pyruvate Anion by One and Two Water Molecules

Photochemical behaviors of pyruvic acid in multiple phases have been extensively studied, while those of its conjugate base, the pyruvate anion (CH 3 COCOO – , PA – ) are less understood and remain contradictory in gaseous versus aqueous phases. Here in this article, we report a joint experimental and theoretical study combining cryogenic, wavelength-resolved negative ion photoelectron spectroscopy (NIPES) and high-level quantum chemical computations to investigate PA – actinic photochemistry and its dependence on microsolvation in the gas phase. PA – ·nH 2 O (n = 0–5) clusters were generated and characterized, with their low-lying isomers identified. NIPES conducted at multiple wavelengths across the PA – actinic regime revealed the PA – photochemistry extremely sensitive to its hydration extent. While bare PA – anions exhibit active photoinduced dissociations that generate the acetyl (CH 3 CO – ), methide (CH 3 – ) anions, their corresponding radicals, and slow electrons, one single attached water molecule results in significant suppression with a subsequent second water being able to completely block all dissociation pathways, effectively annihilating all PA – photochemical reactivities. Further, the underlying dissociation mechanisms of PA – ·nH 2 O (n = 0–2) clusters are proposed involving nπ* excitation, dehydration, decarboxylation, and further CO loss. Since the photoexcited dihydrate does not have sufficient energy to overcome the full dehydration barrier before PA – could fragmentate, the PA – dissociation pathway is completely blocked, with the energy most likely released via loss of one water and internal electronic and vibrational relaxations. The insight unraveled in this work provides a much-needed critical link to connect the seemingly conflicting PA – actinic chemistry between the gas and condensed phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on Mg16PaAl12 by Materials Project

Mg16PaAl12 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pa, and twelve Al atoms. All Mg–Mg bond lengths are 3.18 Å. The Mg–Pa bond length is 3.29 Å. There are a spread of Mg–Al bond distances ranging from 3.16–3.24 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to one Pa and five Al atoms. The Mg–Pa bond length is 3.61 Å. There are a spread of Mg–Al bond distances ranging from 2.85–3.23 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to one Mg and six Al atoms. There are a spread of Mg–Al bond distances ranging from 3.05–3.13 Å. In the fourth Mg site, Mg is bonded in a 6-coordinate geometry to one Pa and five Al atoms. The Mg–Pa bond length is 3.14 Å. There are a spread of Mg–Al bond distances ranging from 2.81–3.11 Å. In the fifth Mg site, Mg is bonded in a 3-coordinate geometry to four Al atoms. There are a spread of Mg–Al bond distances ranging from 2.97–3.20 Å. Pa is bonded in a 3-coordinate geometry to seven Mg and nine Al atoms. There are three shorter (3.19 Å) and six longer (3.20 Å) Pa–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six Mg, one Pa, and three Al atoms. There are one shorter (2.66 Å) and two longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.76 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Pa, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.77 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗