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Structured illumination with thermal imaging (SI-TI): A dynamically reconfigurable metrology for parallelized thermal transport characterization

The recent push for the “materials by design” paradigm requires synergistic integration of scalable computation, synthesis, and characterization. Among these, techniques for efficient measurement of thermal transport can be a bottleneck limiting the experimental database size, especially for diverse materials with a range of roughness, porosity, and anisotropy. Traditional contact thermal measurements have challenges with throughput and the lack of spatially resolvable property mapping, while non-contact pump-probe laser methods generally need mirror smooth sample surfaces and also require serial raster scanning to achieve property mapping. Here, we present structured illumination with thermal imaging (SI-TI), a new thermal characterization tool based on parallelized all-optical heating and thermometry. Experiments on representative dense and porous bulk materials as well as a 3D printed thermoelectric thick film (~50 μm) demonstrate that SI-TI (1) enables paralleled measurement of multiple regions and samples without raster scanning; (2) can dynamically adjust the heating pattern purely in software, to optimize the measurement sensitivity in different directions for anisotropic materials; and (3) can tolerate rough (~3 μm) and scratched sample surfaces. Here, this work highlights a new avenue in adaptivity and throughput for thermal characterization of diverse materials.

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Materials Data on Ti5Si3 by Materials Project

Ti5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti+2.40+ sites. In the first Ti+2.40+ site, Ti+2.40+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Ti–Si bond lengths are 2.64 Å. In the second Ti+2.40+ site, Ti+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.57–2.78 Å. Si4- is bonded in a 9-coordinate geometry to nine Ti+2.40+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiSi by Materials Project

TiSi is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. There are a spread of Ti–Si bond distances ranging from 2.63–2.88 Å. Si4- is bonded to eight equivalent Ti4+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiTi8Si4 cuboctahedra. All Si–Si bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗

Materials Data on TiSi2 by Materials Project

TiSi2 is Titanium Disilicide structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to ten equivalent Si atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.78 Å. Si is bonded in a 10-coordinate geometry to five equivalent Ti and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.80 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ti5Si4 by Materials Project

Ti5Si4 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent Ti+3.20+ sites. In the first Ti+3.20+ site, Ti+3.20+ is bonded to six Si4- atoms to form TiSi6 octahedra that share corners with four equivalent TiSi6 octahedra, corners with eight equivalent TiSi7 pentagonal bipyramids, corners with six equivalent TiSi6 pentagonal pyramids, faces with four equivalent TiSi7 pentagonal bipyramids, and faces with four equivalent TiSi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ti–Si bond distances ranging from 2.57–2.70 Å. In the second Ti+3.20+ site, Ti+3.20+ is bonded to seven Si4- atoms to form distorted TiSi7 pentagonal bipyramids that share corners with four equivalent TiSi6 octahedra, corners with six equivalent TiSi7 pentagonal bipyramids, corners with five equivalent TiSi6 pentagonal pyramids, edges with three equivalent TiSi7 pentagonal bipyramids, edges with two equivalent TiSi6 pentagonal pyramids, faces with two equivalent TiSi6 octahedra, faces with two equivalent TiSi7 pentagonal bipyramids, and faces with four equivalent TiSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Ti–Si bond distances ranging from 2.58–2.88 Å. In the third Ti+3.20+ site, Ti+3.20+ is bonded to six Si4- atoms to form distorted TiSi6 pentagonal pyramids that share corners with three equivalent TiSi6 octahedra, corners with five equivalent TiSi7 pentagonal bipyramids, corners with four equivalent TiSi6 pentagonal pyramids, edges with two equivalent TiSi7 pentagonal bipyramids, edges with four equivalent TiSi6 pentagonal pyramids, faces with two equivalent TiSi6 octahedra, and faces with four equivalent TiSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–45°. There are a spread of Ti–Si bond distances ranging from 2.47–2.63 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Ti+3.20+ and one Si4- atom. The Si–Si bond length is 2.42 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Ti+3.20+ and one Si4- atom.

36 MATERIALS SCIENCE↗

Materials Data on TiSi2 by Materials Project

TiSi2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to ten equivalent Si atoms. There are eight shorter (2.67 Å) and two longer (2.78 Å) Ti–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Si atoms. All Si–Si bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗

Materials Data on TiSi by Materials Project

TiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.78 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Ti4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.41 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ti3Si by Materials Project

Ti3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Ti–Si bond distances ranging from 2.59–2.67 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.62 Å. In the third Ti site, Ti is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.59 Å) and one longer (2.65 Å) Ti–Si bond lengths. Si is bonded in a 9-coordinate geometry to nine Ti atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ti3Si by Materials Project

Ti3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Si atoms. All Ti–Ti bond lengths are 2.72 Å. All Ti–Si bond lengths are 2.72 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Si atoms. All Ti–Si bond lengths are 3.14 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ti2Si by Materials Project

Si(Ti2) is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to four equivalent Ti2+ and four equivalent Si4- atoms to form distorted edge-sharing TiTi4Si4 tetrahedra. All Ti–Ti bond lengths are 2.66 Å. All Ti–Si bond lengths are 2.66 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted q6 geometry to four equivalent Ti2+ and six equivalent Si4- atoms. All Ti–Si bond lengths are 3.07 Å. Si4- is bonded in a 4-coordinate geometry to ten Ti2+ atoms.

36 MATERIALS SCIENCE↗