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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Dynamic modeling of heat pipe integrated thermal battery latent heat storage system experiment validation

A heat pipe integrated thermal battery system has been constructed to investigate a high-temperature latent heat thermal energy storage technology that takes advantage of near isothermal operation of latent heat storage and heat pipes to potentially enable high-energy isothermal heat storage. A dynamic model constructed in Modelica has been validated, showing errors between 2.5 °C–39.7 °C across 10-h to 47-h simulations against experiment results, showing good prediction capability of experiment output, especially against phase change time. Model calibrations showing vessel heat-up capability of 3 kW and heat pipes combining to provide 600 W each during experiment operation validate experiment circumstances including reduced material loading and reduced power capability. The experiment configuration uses an Al-Mg-Zn eutectic metal as the storage material, heated via heat tape wrapped around the vessel and guide tubes to bring the system to operation range (>400 °C) and to simulate charging heat exchange, respectively, with heat rejection occurring through the surfaces of the material and facilitated via guide tubes with less insulation wrapping. The model is available in the open-source repository HYBRID on Github.

25 - ENERGY STORAGE↗
DOE OSTI2020

Materials Data on Mg16Al12Zn by Materials Project

Mg16ZnAl12 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 12-coordinate geometry to six Mg, one Zn, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.09–3.25 Å. The Mg–Zn bond length is 2.99 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.15 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, one Zn, and twelve Al atoms. All Mg–Mg bond lengths are 3.14 Å. The Mg–Zn bond length is 2.88 Å. There are nine shorter (3.18 Å) and three longer (3.25 Å) Mg–Al bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.96–3.14 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.05 Å. There are a spread of Mg–Al bond distances ranging from 3.06–3.12 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.20 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.13 Å. Zn is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms. All Zn–Al bond lengths are 2.98 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.69 Å) and two longer (2.77 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 11-coordinate geometry to seven Mg, one Zn, and three Al atoms. There are one shorter (2.71 Å) and one longer (2.73 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg16Al12Zn by Materials Project

Mg16ZnAl12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are ten inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.94–3.15 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to four Mg, one Zn, and six Al atoms. There are two shorter (3.03 Å) and one longer (3.14 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 3.25 Å. There are a spread of Mg–Al bond distances ranging from 3.05–3.10 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and twelve Al atoms. There are two shorter (3.17 Å) and one longer (3.20 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.15–3.23 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to five Mg, one Zn, and six Al atoms. There are two shorter (3.06 Å) and two longer (3.35 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 2.99 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.26 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Zn, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.22 Å. The Mg–Zn bond length is 3.13 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.10 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.20 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Zn, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.20 Å. The Mg–Zn bond length is 2.99 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.16 Å. In the eighth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are one shorter (3.04 Å) and one longer (3.05 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.07–3.13 Å. In the ninth Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Zn, and five Al atoms. The Mg–Mg bond length is 3.16 Å. The Mg–Zn bond length is 3.12 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.24 Å. In the tenth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.90–3.12 Å. Zn is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.74 Å) and two longer (2.81 Å) Zn–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.71 Å) and two longer (2.74 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Zn, and three Al atoms. Both Al–Al bond lengths are 2.75 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to seven Mg and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.75 Å. In the fourth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.69 Å) and one longer (2.74 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and one longer (2.74 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. In the seventh Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Zn, and three Al atoms. The Al–Al bond length is 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg19Al4Zn15 by Materials Project

Mg19Zn15Al4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Mg, six Zn, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 2.91–3.25 Å. There are a spread of Mg–Zn bond distances ranging from 2.89–3.29 Å. The Mg–Al bond length is 3.05 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg and five Zn atoms. There are one shorter (3.00 Å) and one longer (3.41 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.84–2.99 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, eight Zn, and four equivalent Al atoms. There are two shorter (3.04 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.98–3.14 Å. All Mg–Al bond lengths are 3.19 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to three Mg, five Zn, and two equivalent Al atoms. The Mg–Mg bond length is 3.06 Å. There are a spread of Mg–Zn bond distances ranging from 2.79–3.15 Å. There are one shorter (2.97 Å) and one longer (3.00 Å) Mg–Al bond lengths. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, seven Zn, and four equivalent Al atoms. The Mg–Mg bond length is 2.96 Å. There are a spread of Mg–Zn bond distances ranging from 3.12–3.22 Å. There are two shorter (3.01 Å) and two longer (3.23 Å) Mg–Al bond lengths. In the sixth Mg site, Mg is bonded in a 1-coordinate geometry to one Mg, five Zn, and two equivalent Al atoms. There are a spread of Mg–Zn bond distances ranging from 2.69–2.97 Å. Both Mg–Al bond lengths are 3.02 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, five Zn, and two equivalent Al atoms. The Mg–Mg bond length is 3.06 Å. There are two shorter (2.92 Å) and three longer (2.99 Å) Mg–Zn bond lengths. Both Mg–Al bond lengths are 3.01 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and eight Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.86–3.10 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded to seven Mg, four Zn, and one Al atom to form distorted ZnMg7AlZn4 cuboctahedra that share corners with two equivalent ZnMg7AlZn4 cuboctahedra, corners with three equivalent AlMg8AlZn3 cuboctahedra, an edgeedge with one ZnMg7AlZn4 cuboctahedra, faces with four equivalent AlMg8AlZn3 cuboctahedra, and faces with five ZnMg7AlZn4 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–2.72 Å. The Zn–Al bond length is 2.62 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to seven Mg, one Zn, and two equivalent Al atoms. The Zn–Zn bond length is 2.58 Å. Both Zn–Al bond lengths are 2.69 Å. In the third Zn site, Zn is bonded to eight Mg and four equivalent Zn atoms to form ZnMg8Zn4 cuboctahedra that share faces with four equivalent AlMg8AlZn3 cuboctahedra and faces with six ZnMg7AlZn4 cuboctahedra. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to eight Mg, three Zn, and one Al atom. There are one shorter (2.71 Å) and one longer (2.79 Å) Zn–Zn bond lengths. The Zn–Al bond length is 2.64 Å. In the fifth Zn site, Zn is bonded to seven Mg and five Zn atoms to form ZnMg7Zn5 cuboctahedra that share edges with four equivalent AlMg8AlZn3 cuboctahedra, faces with four equivalent AlMg8AlZn3 cuboctahedra, and faces with six ZnMg7AlZn4 cuboctahedra. The Zn–Zn bond length is 2.62 Å. In the sixth Zn site, Zn is bonded in a 10-coordinate geometry to eight Mg and two equivalent Zn atoms. Al is bonded to eight Mg, three Zn, and one Al atom to form distorted AlMg8AlZn3 cuboctahedra that share corners with three equivalent ZnMg7AlZn4 cuboctahedra, corners with three equivalent AlMg8AlZn3 cuboctahedra, edges with two equivalent ZnMg7Zn5 cuboctahedra, edges with three equivalent AlMg8AlZn3 cuboctahedra, a faceface with one AlMg8AlZn3 cuboctahedra, and faces with seven ZnMg7AlZn4 cuboctahedra. The Al–Al bond length is 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg17Al11Zn by Materials Project

Mg17ZnAl11 is gamma-brass-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eleven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are three shorter (3.04 Å) and one longer (3.15 Å) Mg–Mg bond lengths. There are four shorter (3.09 Å) and two longer (3.10 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are two shorter (3.13 Å) and four longer (3.15 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.90–3.17 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, one Zn, and eleven Al atoms. There are two shorter (3.13 Å) and one longer (3.15 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 3.19 Å. There are a spread of Mg–Al bond distances ranging from 3.18–3.20 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, one Zn, and four Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.16 Å. The Mg–Zn bond length is 2.86 Å. There are two shorter (2.99 Å) and two longer (3.18 Å) Mg–Al bond lengths. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are four shorter (3.09 Å) and two longer (3.11 Å) Mg–Al bond lengths. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, one Zn, and four Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.16 Å. The Mg–Zn bond length is 3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.14 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, one Zn, and four Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.13–3.16 Å. The Mg–Zn bond length is 2.95 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.19 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are one shorter (3.12 Å) and two longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.90–3.18 Å. In the ninth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg, one Zn, and five Al atoms. There are one shorter (3.04 Å) and one longer (3.05 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 3.09 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.10 Å. In the tenth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. The Mg–Mg bond length is 3.13 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.17 Å. In the eleventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.90–3.17 Å. Zn is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.66 Å) and two longer (2.74 Å) Zn–Al bond lengths. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg, one Zn, and two equivalent Al atoms. Both Al–Al bond lengths are 2.77 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and two longer (2.75 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Mg, one Zn, and two Al atoms. There are one shorter (2.70 Å) and one longer (2.73 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and one longer (2.74 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. The Al–Al bond length is 2.76 Å. In the sixth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg16Al12Zn by Materials Project

Mg16ZnAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Zn, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.07 Å. The Mg–Zn bond length is 3.01 Å. All Mg–Al bond lengths are 3.04 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.14 Å) and four longer (3.17 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.91–3.14 Å. Zn is bonded in a tetrahedral geometry to four equivalent Mg atoms. Al is bonded in a 10-coordinate geometry to seven Mg and three equivalent Al atoms. There are one shorter (2.72 Å) and two longer (2.76 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Al4Zn3 by Materials Project

Mg2Zn3Al4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg and twelve Al atoms. There are two shorter (3.36 Å) and one longer (3.39 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.07–3.24 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, nine Zn, and three equivalent Al atoms. There are two shorter (3.38 Å) and one longer (3.42 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.06–3.26 Å. There are two shorter (3.17 Å) and one longer (3.19 Å) Mg–Al bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg, four Zn, and two Al atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.73 Å. There are one shorter (2.63 Å) and one longer (2.69 Å) Zn–Al bond lengths. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg, four equivalent Zn, and two Al atoms. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Mg and six Zn atoms to form edge-sharing AlMg6Zn6 cuboctahedra. In the second Al site, Al is bonded to six equivalent Mg and six Al atoms to form edge-sharing AlMg6Al6 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.69 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg, one Zn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.71 Å. In the fourth Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg, one Zn, and five Al atoms.

36 MATERIALS SCIENCE↗