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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Thermal phase diagram of acetamide-benzoic acid and benzoic acid-phthalimide binary systems for solar thermal applications

Thermal properties of Acetamide (AM) – Benzoic acid (BA) and Benzoic acid (BA) – Phthalimide (PM) binary eutectic systems are theoretically calculated using thermodynamic principles. We found that the binary systems of AM-BA at 67.6 : 32.4 molar ratio, BA-PM at 89.7 : 10.3 molar ratio form eutectic mixtures with melting temperatures ~ 54.5 °C and 114.3 °C respectively. Calculated latent heat of fusion for these eutectic mixtures are 191 kJ/kg and 146.5 kJ/kg respectively. These melting temperatures and heat of fusions of these eutectic mixtures make them suitable for thermal energy storage applications in solar water heating and solar cooking systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Materials Data on Ba3Pm by Materials Project

Ba3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Pm atoms to form distorted BaBa8Pm4 cuboctahedra that share corners with four equivalent PmBa12 cuboctahedra, corners with fourteen equivalent BaBa8Pm4 cuboctahedra, edges with six equivalent PmBa12 cuboctahedra, edges with twelve equivalent BaBa8Pm4 cuboctahedra, faces with four equivalent PmBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Pm4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.11–4.41 Å. There are two shorter (4.13 Å) and two longer (4.26 Å) Ba–Pm bond lengths. Pm is bonded to twelve equivalent Ba atoms to form PmBa12 cuboctahedra that share corners with six equivalent PmBa12 cuboctahedra, corners with twelve equivalent BaBa8Pm4 cuboctahedra, edges with eighteen equivalent BaBa8Pm4 cuboctahedra, faces with eight equivalent PmBa12 cuboctahedra, and faces with twelve equivalent BaBa8Pm4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Pm by Materials Project

Ba3Pm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight Ba and four equivalent Pm atoms to form BaBa8Pm4 cuboctahedra that share corners with twelve equivalent BaBa8Pm4 cuboctahedra, edges with eight equivalent PmBa12 cuboctahedra, edges with sixteen BaBa8Pm4 cuboctahedra, faces with four equivalent PmBa12 cuboctahedra, and faces with fourteen BaBa8Pm4 cuboctahedra. There are four shorter (4.19 Å) and four longer (4.22 Å) Ba–Ba bond lengths. All Ba–Pm bond lengths are 4.22 Å. In the second Ba site, Ba is bonded to eight equivalent Ba and four equivalent Pm atoms to form BaBa8Pm4 cuboctahedra that share corners with four equivalent BaBa8Pm4 cuboctahedra, corners with eight equivalent PmBa12 cuboctahedra, edges with twenty-four BaBa8Pm4 cuboctahedra, faces with six equivalent PmBa12 cuboctahedra, and faces with twelve BaBa8Pm4 cuboctahedra. All Ba–Pm bond lengths are 4.19 Å. Pm is bonded to twelve Ba atoms to form PmBa12 cuboctahedra that share corners with four equivalent PmBa12 cuboctahedra, corners with eight equivalent BaBa8Pm4 cuboctahedra, edges with eight equivalent PmBa12 cuboctahedra, edges with sixteen equivalent BaBa8Pm4 cuboctahedra, faces with four equivalent PmBa12 cuboctahedra, and faces with fourteen BaBa8Pm4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Pm by Materials Project

Ba3Pm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Pm atoms to form BaBa8Pm4 cuboctahedra that share corners with twelve equivalent BaBa8Pm4 cuboctahedra, edges with eight equivalent PmBa12 cuboctahedra, edges with sixteen equivalent BaBa8Pm4 cuboctahedra, faces with four equivalent PmBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Pm4 cuboctahedra. All Ba–Ba bond lengths are 4.20 Å. All Ba–Pm bond lengths are 4.20 Å. Pm is bonded to twelve equivalent Ba atoms to form PmBa12 cuboctahedra that share corners with twelve equivalent PmBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Pm4 cuboctahedra, faces with six equivalent PmBa12 cuboctahedra, and faces with twelve equivalent BaBa8Pm4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on BaPm by Materials Project

BaPm crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Pm atoms to form BaBa6Pm6 cuboctahedra that share corners with eighteen equivalent BaBa6Pm6 cuboctahedra, edges with six equivalent BaBa6Pm6 cuboctahedra, edges with twelve equivalent PmBa6Pm6 cuboctahedra, faces with eight equivalent BaBa6Pm6 cuboctahedra, and faces with twelve equivalent PmBa6Pm6 cuboctahedra. All Ba–Ba bond lengths are 3.97 Å. All Ba–Pm bond lengths are 3.99 Å. Pm is bonded to six equivalent Ba and six equivalent Pm atoms to form PmBa6Pm6 cuboctahedra that share corners with eighteen equivalent PmBa6Pm6 cuboctahedra, edges with six equivalent PmBa6Pm6 cuboctahedra, edges with twelve equivalent BaBa6Pm6 cuboctahedra, faces with eight equivalent PmBa6Pm6 cuboctahedra, and faces with twelve equivalent BaBa6Pm6 cuboctahedra. All Pm–Pm bond lengths are 3.97 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaPm3 by Materials Project

BaPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded to twelve Pm atoms to form BaPm12 cuboctahedra that share corners with four equivalent BaPm12 cuboctahedra, corners with eight equivalent PmBa4Pm8 cuboctahedra, edges with eight equivalent BaPm12 cuboctahedra, edges with sixteen equivalent PmBa4Pm8 cuboctahedra, faces with four equivalent BaPm12 cuboctahedra, and faces with fourteen PmBa4Pm8 cuboctahedra. There are eight shorter (3.77 Å) and four longer (3.83 Å) Ba–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Ba and eight Pm atoms to form PmBa4Pm8 cuboctahedra that share corners with twelve equivalent PmBa4Pm8 cuboctahedra, edges with eight equivalent BaPm12 cuboctahedra, edges with sixteen PmBa4Pm8 cuboctahedra, faces with four equivalent BaPm12 cuboctahedra, and faces with fourteen PmBa4Pm8 cuboctahedra. There are four shorter (3.77 Å) and four longer (3.83 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Ba and eight equivalent Pm atoms to form PmBa4Pm8 cuboctahedra that share corners with four equivalent PmBa4Pm8 cuboctahedra, corners with eight equivalent BaPm12 cuboctahedra, edges with twenty-four PmBa4Pm8 cuboctahedra, faces with six equivalent BaPm12 cuboctahedra, and faces with twelve PmBa4Pm8 cuboctahedra.

36 MATERIALS SCIENCE↗