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DOE OSTI2016

TU-H-CAMPUS-TeP1-05: Fast Processed 3D Printing-Aided Urethane Resin (PUR) Bolus in Radiation Therapy

Purpose: 3D printed custom bolus is regularly used in radiation therapy clinic as a compensator. However, usual method of bolus printing with 100% filling is very time-consuming. The purpose of this study is to evaluate the feasibility and benefit of 3D printed bolus filled with UR. Methods: Two boluses were designed on nose (9e electrons) and ear (6× photons) for a head phantom in treatment planning system (TPS) to achieve dose coverage to the skin. The bolus structures (56–167cc) were converted to STereoLithographic (STL) model using an in-house developed algorithm and sent to a commercial fused deposition modeling (FDM) printer. Only shells were printed with polylactic acid (PLA) material. Liquid UR was then placed in a vacuum pump and slowly poured into the hollow bolus from its top opening. Liquid UR hardened in around half an hour. The phantom was rescanned with custom boluses attached and the dosimetry was compared with original design in TPS. Basic CT and dose properties were investigated. GaF films were irradiated to measure dose profile and output of several open photon and electron beams under solid water and UR slabs of same thicknesses. Results: CT number was 11.2±7.3 and 65.4±7.8, respectively for solid water(∼1.04g/cc) and UR(∼1.08g/cc). The output measurement at dmax for 6× was within 2% for the two materials. The relative dose profiles of the two materials above dmax show 94–99% Gamma analysis passing rates for both photons and electrons. Dose distributions with 3D PUR boluses maintained great coverage on the intended skin regions and resembled that with computer generated boluses. Manufacturing 3D PUR boluses was 3–4 times faster than 100% printed boluses. The efficiency significantly improves for larger boluses. Conclusion: The study suggests UR has similar dose responses as solid water. Making custom bolus with UR greatly increases clinical workflow efficiency.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Technical Note: Development of a 3D printed subresolution sandwich phantom for validation of brain SPECT analysis

Purpose: To make an adaptable, head shaped radionuclide phantom to simulate molecular imaging of the brain using clinical acquisition and reconstruction protocols. This will allow the characterization and correction of scanner characteristics, and improve the accuracy of clinical image analysis, including the application of databases of normal subjects. Methods: A fused deposition modeling 3D printer was used to create a head shaped phantom made up of transaxial slabs, derived from a simulated MRI dataset. The attenuation of the printed polylactide (PLA), measured by means of the Hounsfield unit on CT scanning, was set to match that of the brain by adjusting the proportion of plastic filament and air (fill ratio). Transmission measurements were made to verify the attenuation of the printed slabs. The radionuclide distribution within the phantom was created by adding {sup 99m}Tc pertechnetate to the ink cartridge of a paper printer and printing images of gray and white matter anatomy, segmented from the same MRI data. The complete subresolution sandwich phantom was assembled from alternate 3D printed slabs and radioactive paper sheets, and then imaged on a dual headed gamma camera to simulate an HMPAO SPECT scan. Results: Reconstructions of phantom scans successfully used automated ellipse fitting to apply attenuation correction. This removed the variability inherent in manual application of attenuation correction and registration inherent in existing cylindrical phantom designs. The resulting images were assessed visually and by count profiles and found to be similar to those from an existing elliptical PMMA phantom. Conclusions: The authors have demonstrated the ability to create physically realistic HMPAO SPECT simulations using a novel head-shaped 3D printed subresolution sandwich method phantom. The phantom can be used to validate all neurological SPECT imaging applications. A simple modification of the phantom design to use thinner slabs would make it suitable for use in PET.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Thermal images collected during large-scale 3D printing with Ingersoll MasterPrint

This data set contains images produced to test the performance of anomaly and fault detection methods in the context of additive manufacturing. Two print jobs were executed using the Ingersoll MasterPrint with the Model 30 Strangpresse extruder. The material used was Techmer compounded polylactic acid (PLA) with wood flour as a filler (80/20 PLA/WF by weight). The first print job consists of the 3D printing of a hexagonal cylinder with a two-bead wall. This print was sliced at a gantry velocity of 3000 millimeter per minute, and an extruder screw speed of 68.14 rotations per minute. This are considered the normal operating conditions. A second hexagonal cylinder was printed using a reduced extruder screw speed, 15% lower than under normal operating conditions. The images were collected with a Teledyne FLIR Lepton 3.5 infra-red camera, a small form factor radiometric long-wave infrared camera with a spectral range of 8 µm to 14 µm. Sensor resolution was 160x120 pixels, with a pixel size of 12 µm, a temperature range of -10 - 450°C, and an accuracy of +/- 10°C in its low gain configuration. Images in this data set were collected with cameras oriented at the printer nozzle. The nozzle camera setup consisted of two cameras located 12.5cm from the nozzle center. These were mounted directly to the print head, so that the camera positions relative to the print direction would remain constant as it rotated around its C-axis to follow the print path. One camera was placed ahead of the nozzle to capture the previous layer immediately before being covered by the new layer of material, while the second camera was placed behind the nozzle and captured the freshly extruded bead. Images are collecting during each phase of the print: (a) idle (i.e., no material deposited), (b) extrusion (i.e., to prime the extruder), and (c) printing (deposition of material to manufacture the hexagonal cylinder).

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li6Co3P8O29 by Materials Project

Li6Co3P8O29 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 2.00–2.17 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.19 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 1.94–2.07 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 1.97–2.03 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 1.98–2.09 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 1.90–2.22 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four PO4 tetrahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 1.98–2.05 Å. In the eighth Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with six PO4 tetrahedra and edges with three LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.28–2.54 Å. In the ninth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three CoO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 65–67°. There are a spread of Li–O bond distances ranging from 1.93–2.13 Å. In the tenth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three CoO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 66–72°. There are a spread of Li–O bond distances ranging from 1.91–2.20 Å. In the eleventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.09 Å. In the twelfth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one CoO6 octahedra. There are a spread of Li–O bond distances ranging from 1.96–2.15 Å. There are six inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share a cornercorner with one LiO4 tetrahedra, corners with six PO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.90–2.10 Å. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share a cornercorner with one LiO4 tetrahedra, corners with six PO4 tetrahedra, and edges with two LiO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.93–2.05 Å. In the third Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share a cornercorner with one LiO4 tetrahedra and corners with six PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.91–2.10 Å. In the fourth Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share a cornercorner with one LiO4 tetrahedra, corners with six PO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.84–1.99 Å. In the fifth Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share a cornercorner with one LiO4 tetrahedra, corners with six PO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.87–2.16 Å. In the sixth Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share a cornercorner with one LiO4 tetrahedra, corners with six PO4 tetrahedra, and edges with two LiO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.90–2.06 Å. There are sixteen inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three CoO6 octahedra and corners with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–40°. There are a spread of P–O bond distances ranging from 1.54–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three CoO6 octahedra and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–39°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three CoO6 octahedra and corners with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. In the fifth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–52°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the sixth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. In the seventh P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. In the eighth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three CoO6 octahedra and a cornercorner with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–42°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the ninth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two CoO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–53°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the tenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the eleventh P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the twelfth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the thirteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the fourteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the fifteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–48°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the sixteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with four LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. There are fifty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co4+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Co4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Li1+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Co4+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co4+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co4+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co4+, and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal pla

36 MATERIALS SCIENCE↗

DOE OSTI2019

Materials Data on V8Sn16H85(C8O9)4 by Materials Project

V8Sn16H85(C8O9)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent V sites. In the first V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of V–O bond distances ranging from 1.69–1.82 Å. In the second V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of V–O bond distances ranging from 1.69–1.82 Å. In the third V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of V–O bond distances ranging from 1.69–1.81 Å. In the fourth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of V–O bond distances ranging from 1.69–1.81 Å. In the fifth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of V–O bond distances ranging from 1.71–1.80 Å. In the sixth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one SnC2O4 pentagonal pyramid, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of V–O bond distances ranging from 1.71–1.81 Å. In the seventh V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one SnC2O4 pentagonal pyramid, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of V–O bond distances ranging from 1.71–1.80 Å. In the eighth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one SnC2O4 octahedra, a cornercorner with one VO4 tetrahedra, and corners with two SnC2O3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of V–O bond distances ranging from 1.71–1.81 Å. There are sixteen inequivalent Sn sites. In the first Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra and corners with two VO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. Both Sn–C bond lengths are 2.15 Å. There are a spread of Sn–O bond distances ranging from 2.04–2.27 Å. In the second Sn site, Sn is bonded to two C and four O atoms to form SnC2O4 octahedra that share corners with two VO4 tetrahedra and corners with two SnC2O3 trigonal bipyramids. Both Sn–C bond lengths are 2.15 Å. There are a spread of Sn–O bond distances ranging from 2.20–2.31 Å. In the third Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra and corners with two VO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. Both Sn–C bond lengths are 2.15 Å. There are a spread of Sn–O bond distances ranging from 2.04–2.27 Å. In the fourth Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra and corners with two VO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. Both Sn–C bond lengths are 2.15 Å. There are a spread of Sn–O bond distances ranging from 2.04–2.27 Å. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to two C and four O atoms. There are one shorter (2.15 Å) and one longer (2.16 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.12–2.55 Å. In the sixth Sn site, Sn is bonded to two C and four O atoms to form SnC2O4 octahedra that share corners with two VO4 tetrahedra and corners with two SnC2O3 trigonal bipyramids. Both Sn–C bond lengths are 2.15 Å. There are a spread of Sn–O bond distances ranging from 2.20–2.31 Å. In the seventh Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra and corners with two VO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. Both Sn–C bond lengths are 2.15 Å. There are a spread of Sn–O bond distances ranging from 2.04–2.27 Å. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to two C and four O atoms. Both Sn–C bond lengths are 2.16 Å. There are a spread of Sn–O bond distances ranging from 2.12–2.55 Å. In the ninth Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra, corners with two VO4 tetrahedra, and an edgeedge with one SnC2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles are 40°. There are one shorter (2.14 Å) and one longer (2.15 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.05–2.26 Å. In the tenth Sn site, Sn is bonded in a 6-coordinate geometry to two C and four O atoms. Both Sn–C bond lengths are 2.11 Å. There are a spread of Sn–O bond distances ranging from 2.09–2.64 Å. In the eleventh Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra and corners with two VO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are one shorter (2.14 Å) and one longer (2.15 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.04–2.27 Å. In the twelfth Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra and corners with two VO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are one shorter (2.14 Å) and one longer (2.15 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.05–2.29 Å. In the thirteenth Sn site, Sn is bonded to two C and four O atoms to form SnC2O4 octahedra that share corners with two VO4 tetrahedra and corners with two SnC2O3 trigonal bipyramids. Both Sn–C bond lengths are 2.10 Å. There are a spread of Sn–O bond distances ranging from 2.21–2.25 Å. In the fourteenth Sn site, Sn is bonded to two C and four O atoms to form distorted SnC2O4 pentagonal pyramids that share corners with two VO4 tetrahedra, an edgeedge with one SnC2O4 octahedra, and edges with two SnC2O3 trigonal bipyramids. There are one shorter (2.09 Å) and one longer (2.14 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.10–2.56 Å. In the fifteenth Sn site, Sn is bonded to two C and three O atoms to form SnC2O3 trigonal bipyramids that share a cornercorner with one SnC2O4 octahedra, corners with two VO4 tetrahedra, and an edgeedge with one SnC2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles are 40°. There are one shorter (2.14 Å) and one longer (2.15 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.05–2.26 Å. In the sixteenth Sn site, Sn is bonded to two C and four O atoms to form SnC2O4 octahedra that share corners with two VO4 tetrahedra, corners with two SnC2O3 trigonal bipyramids, and an edgeedge with one SnC2O4 pentagonal pyramid. There are one shorter (2.10 Å) and one longer (2.11 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.21–2.23 Å. There are thirty-two inequivalent C sites. In the first C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the fourth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the fifth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the sixth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the seventh C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the eighth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the ninth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the tenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the eleventh C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the twelfth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the thirteenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the fourteenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the fifteenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the sixteenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the seventeenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. All C–H bond lengths are 1.10 Å. In the eighteenth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the nineteenth C site, C is bonded in a trigonal planar geometry to one Sn and two H atoms. Both C–H bond lengths are 1.09 Å. In the twentieth C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the twenty-first C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn and three H atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the twenty-second C site, C is bonded in a trigonal pla

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li4V3P8O29 by Materials Project

Li4V3P8O29 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.99–2.24 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.99–2.24 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.31 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.88–2.28 Å. In the fifth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.30 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with four PO4 tetrahedra, and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.88–2.28 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four PO4 tetrahedra and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.87–2.38 Å. In the eighth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four PO4 tetrahedra and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.87–2.39 Å. There are six inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.83–1.97 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra and edges with two LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.86–2.02 Å. In the third V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.85–1.97 Å. In the fourth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.85–1.96 Å. In the fifth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.83–1.97 Å. In the sixth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra and edges with two LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.86–2.02 Å. There are sixteen inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra and a cornercorner with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–36°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the fifth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra and a cornercorner with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–36°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the sixth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–48°. There are a spread of P–O bond distances ranging from 1.48–1.62 Å. In the seventh P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the eighth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. In the ninth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the tenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–48°. There are a spread of P–O bond distances ranging from 1.48–1.62 Å. In the eleventh P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the twelfth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–36°. There are a spread of P–O bond distances ranging from 1.49–1.59 Å. In the thirteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–36°. There are a spread of P–O bond distances ranging from 1.49–1.59 Å. In the fourteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one PO4 tetrahedra, and corners with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the fifteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of P–O bond distances ranging from 1.47–1.61 Å. In the sixteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of P–O bond distances ranging from 1.47–1.61 Å. There are fifty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.67+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.67+, and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the seventeenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the nineteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P5+ atom. In the twenty-second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P5+ atom. In the twenty-third O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the twenty-sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-eighth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P5+ atom. In the thirtieth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the thirty-first O2- site, O2- is bonded in a distorted trigonal pla

36 MATERIALS SCIENCE↗

DOE OSTI2016

Low-Cost Nanocellulose-Reinforced High-Temperature Polymer Composites for Additive Manufacturing

ORNL worked with American Process Inc. to demonstrate the potential use of bio-based BioPlus ® lignin-coated cellulose nanofibrils (L-CNF) as a reinforcing agent in the development of polymer feedstock suitable for additive manufacturing. L-CNF-reinforced polylactic acid (PLA) testing coupons were prepared and up to 69% increase in tensile strength and 133% increase in elastic modulus were demonstrated.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Mineral-Ground Micro-Fibrillated Cellulose Reinforcement for Polymer Compounds

ORNL worked with Imerys to demonstrate reinforcement of additive manufacturing feedstock materials using mineral-ground microfibrillated cellulose (MFC). Properly prepared/dried mineral-ground cellulose microfibrils significantly improved mechanical properties of both ABS and PLA resins. While tensile strength increases up to ~40% were observed, elastic modulus of the both resins doubled with the addition of 30% MFC.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Emissivity Measurements of Additively Manufactured Materials

The emissivity of common 3D printing materials such as ABS and PLA were measured using a reflectivity meter and have the measured value of approximately 0.92. Adding a conductive material to the filament appears to cause a decrease in the emissivity of the surface. The angular dependence of the emissivity and the apparent temperature was measured using a FLIR infrared camera showing that the emissivity does not change much for shallow angles less than 40 angular degrees, and drops off dramatically after 70 angular degrees.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Designing a Particle Flow Control Apparatus

Flow control within a particle-based Concentrated Solar Power (CSP) system is essential in determining the heat transfer coefficient, and therefore, the power generation capability of these systems. There are three areas where particle flow control is significant: the receivers, storage tanks, and particle-sCO2 heat exchangers. The focus of this work is on designing a new mechanism to control the flow in the particle-sCO2 heat exchangers due to the simplicity and potential cost savings when compared to the other areas of interest. The goal is for this new design to have quicker response times in terms of particle flowrate than a slide gate or flow control valve, which are designs currently used. The design resembles that of a chuck mechanism within a drill where a rotation of the sleeve elicits movement of the jaws both vertically and horizontally to close the outlet area of the nozzle. Additionally, this design will utilize the current actuator that is already used within these heat exchangers to reduce the complexity of implementation. The jaws are designed to be closed at an angle of 76˚ which is just slightly steeper than the hopper leading to the mechanism. Furthermore, this design can be tuned to limit particle bridging and other particle flow phenomena that result in blockages. The prototypes were 3D printed out of polylactic acid (PLA) and scaled up to 100%, 200%, and 400% to be able to observe the velocity profiles of the mechanism more clearly. Experiments are performed with this prototype to compare the inlet and outlet mass flow rates at different configurations of the jaws. The particles used in these experiments are 0.3mm HSP 40/70 that are commonly used in particle-based CSP systems.

14 SOLAR ENERGY↗

DOE OSTI2025

Degradable Biocomposite Thermoplastic Polyurethanes

In this project, the team developed tough and degradable biocomposite thermoplastic polyurethanes (TPUs) by incorporating bacterial spores into TPUs as a biofunctional living filler. The team screened various bacteria and selected the Bacillus subtilis ATCC 6633 strain as the final candidate, primarily due to its genomic availability, sporulation ability and TPU assimilation activity. The heat-shock tolerance of ATCC 6633 spores was further improved through evolutionary engineering via Adaptive Laboratory Evolution (ALE), demonstrating a 17.7-fold enhanced germination efficiency post heat-shock treatment compared to the wild-type strain (WT). The team fabricated biocomposite TPUs by incorporating lyophilized powder of heat-shock tolerized (HST) spores during the hot melt extrusion (HME) of TPU at 135 °C. The baseline TPU used in this project is a commercially available soft-grade TPU (BCF45) manufactured by BASF. Colony forming unit (CFU) assays quantified that WT and HST spores in the TPU matrix retained approximately 20% and 100% survivability, respectively, after HME. Tensile testing demonstrated that the spores behaved as a polymer-reinforcing filler, positively affecting the overall tensile properties of the biocomposite TPU. For example, biocomposite TPU with WT and HST spores (BC TPU WT and BC TPU HST , respectively) exhibited up to 25% and 37% improved toughness, respectively, compared to TPU without spores. BC TPU HST showed remarkably improved disintegration in autoclaved compost (92% mass loss in 5 months), which simulated a microbially poor environment for TPU degradation. When compared to TPU without spores (44% mass loss in 5 months) the acceleration of degradation is marked. Respirometry confirmed that 72% of BC TPU HST was biomineralized into CO2 within 6 months, indicating that spores in the biocomposite TPU were germinated by utilizing nutrients in the autoclaved compost, facilitating TPU degradation at the end of the material's life. The team demonstrated the scale-up of biocomposite TPU fabrication using continuous extrusion and injection molding techniques. Processing conditions optimized in a lab-scale microcompounder were successfully transferred to a continuous extruder with a 30-fold increased throughput. Biocomposite TPUs prepared using these industry-relevant processes showed comparable toughness improvements to samples prepared in the lab-scale extruder. Excitingly, following compounding in the pilot-extruder the composite material could be injection molded, while retaining high spore viability and similar toughness improvements. The team also found that spores in biocomposite TPU served as antioxidants, preventing toughness decay during the recycled extrusion of BC TPU HST . Long-term storage tests over one year showed that the addition of spores had no negative effect on the longevity of the TPU. Furthermore, the team demonstrated the fabrication of spore-bearing biocomposite polymers with other polyesters such as PBAT, PLA, and PCL. We obtained promising preliminary data that showed overall toughness improvements for all polymers with spore addition. Finally, life cycle assessment (LCA) and techno-economic analysis (TEA) were carried out, which indicated minimal additional cost of fabrication. Overall, a tough and degradable biocomposite thermoplastic was successfully developed through this project, with all tasks completed successfully, achieving >100% of the objectives.

36 MATERIALS SCIENCE↗

DOE OSTI2026

PIP-II LB650 Cryomodule Mockup

Fermilab’s PIP-II project requires accurate cable routing in the LB650 cryomodule, a confined and difficult-to-access system. We designed a full-scale mockup using a 15-ft, 7-ft 8020 frame and twenty-three PLA interfaces. CAD modeling and lifting analysis has been verified for safe assembly With all components ordered, the mockup will allow technicians to rehearse routing and identify issues before working on the real cryomodule.

Oribello, Francis [Northern Illinois U.]↗

DOE OSTI2026

Biodegradable Biocomposite Development for Large Scale Additive Manufacturing

Oak Ridge National Laboratory (ORNL) worked with Mitsubishi Chemical America, Inc. to develop a highly biodegradable ~100% biobased feedstock for large format additive manufacturing (AM). Together, they developed an AM feedstock based on the biobased polyester, polybutylene succinate (PBS), that is typically used in agriculture and packaging projects. The motivation for this work was to leverage the high degradability of this polymer in AM to create a new avenue for end-of-life disposal of the product. A composite feedstock was developed from PBS, polylactic acid (PLA), and wood flour (WF). While WF improves printability, reduces feedstock cost, and can improve stiffness, it also often results in a loss in tensile strength which can inhibit/limit applications of the material. To recover the loss in tensile strength suffered by including large quantities, up to 30 wt.% WF in the composite, a chain extender was used to compatibilize the different composite constituents with each other. The feedstock was used to 3D-print a demonstration mold for precast concrete catch basins and was tested by casting 750 lbs of concrete. The mold survived the demonstration. Aerobic degradation testing of the composite feedstock showed that it was highly degradable, 40% biodegradation after 90 days, compared to other incumbent biobased feedstocks.

100% biobased feedstock for large format additive ↗

DOE OSTI2026

Biodegradable Biocomposite Development for Large Scale Additive Manufacturing

Oak Ridge National Laboratory (ORNL) worked with Mitsubishi Chemical America, Inc. to develop a highly biodegradable ~100% biobased feedstock for large format additive manufacturing (AM). Together, they developed a AM feedstock based on the biobased polyester, polybutylene succinate (PBS), that is typically used in agriculture and packaging projects. The motivation for this work was to leverage the high degradability of this polymer in AM to create a new avenue for end-of-life disposal of the product. A composite feedstock was developed from PBS, polylactic acid (PLA), and wood flour (WF). While WF improves printability, reduces feedstock cost, and can improve stiffness, it also often results in a loss in tensile strength which can inhibit/limit application of the material. To recover the loss in tensile strength suffered by including large quantities, up to 30 wt%, WF in the composite a chain extender was used to compatibilze the different composite constituents with each other. The feedstock was used to 3D-print demonstration mold for precast concrete catch basins and was tested by casting 750 lbs of concrete. The mold survived the demonstration. Aerobic degradation testing of the composite feedstock showed that it was highly degradable, 40% biodegradation after 90 days, compared to other incumbent biobased feedstocks.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Using mechanistic models and machine learning to design single-color multiplexed nascent chain tracking experiments

mRNA translation is the ubiquitous cellular process of reading messenger-RNA strands into functional proteins. Over the past decade, large strides in microscopy techniques have allowed observation of mRNA translation at a single-molecule resolution for self-consistent time-series measurements in live cells. Dubbed Nascent chain tracking (NCT), these methods have explored many temporal dynamics in mRNA translation uncaptured by other experimental methods such as ribosomal profiling, smFISH, pSILAC, BONCAT, or FUNCAT-PLA. However, NCT is currently restricted to the observation of one or two mRNA species at a time due to limits in the number of resolvable fluorescent tags. In this work, we propose a hybrid computational pipeline, where detailed mechanistic simulations produce realistic NCT videos, and machine learning is used to assess potential experimental designs for their ability to resolve multiple mRNA species using a single fluorescent color for all species. Our simulation results show that with careful application this hybrid design strategy could in principle be used to extend the number of mRNA species that could be watched simultaneously within the same cell. We present a simulated example NCT experiment with seven different mRNA species within the same simulated cell and use our ML labeling to identify these spots with 90% accuracy using only two distinct fluorescent tags. We conclude that the proposed extension to the NCT color palette should allow experimentalists to access a plethora of new experimental design possibilities, especially for cell Signaling applications requiring simultaneous study of multiple mRNAs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Citric Acid Functionalized Natural Fibers to Enhance Thermal Stability and Moisture Resistance in Polylactic Acid Composites

Cellulosic fibers can impart many unique benefits into composite applications, such as reduced weight or structural reinforcement; however, these materials also increase hygroscopicity and decrease thermal stability, restricting broader applications. The present work adapted an experimental process for functionalizing the cellulose surface using citric acid (CA) for three fibers: a 100% cellulose bleached soft Kraft pulp (e.g., creafill) and two natural fibers with similar composition but different fiber morphology, flax fiber and banana fiber. The process uses CA with a sodium hypophosphite (SHP) catalyst to chemically functionalize fiber surfaces, and the reaction mechanism was investigated through Fourier Transform Infrared Spectroscopy (FTIR), which suggested a grafting mechanism rather than a surface-based crosslinking between neighboring sites. Functionalized fibers were compounded into polylactic acid (PLA) at 20 wt.% to better understand how this functionalization might impact critical performance properties like thermal stability, crystallization, thermal mechanical properties, and water uptake of these composites. The study demonstrated varying levels of efficacy for the functionalization of cellulosic fibers with CA/SHP and the fiber with the most open microstructure, e.g., banana fiber, exhibited the largest change in its properties with a 38% reduction in water uptake compared to untreated banana fiber composites. Parallel evaluation of the functionalization process for different fibers demonstrates the importance of fiber morphology on surface modification and can enable their use in composites by demonstrating the efficacy of this potentially low-cost, low-toxicity method for reducing hygroscopicity and improving thermal stability.

citric acid↗

DOE OSTI2025

Experiments in 3D Printing Electric Motors

This paper catalogues a series of experiments we conducted to explore how to 3D print a DC electric motor. The individual parts of the electric motor were 3D printed but assembled by hand. First, we focused on a rotor with soft magnetic properties, for which we adopted ProtoPasta TM , which is a commercial off-the-shelf PLA filament incorporating iron particles. Second, we focused on the stator permanent magnets, which were 3D printed through binder jetting. Third, we focused on the wire coils, for which we adopted a form of laminated object manufacture of copper wire. The chief challenge was in 3D printing the coils, because the winding density is crucial to the performance of the motor. We have demonstrated that DC electric motors can be 3D printed and assembled into a functional system. Although the performance was poor due to the wiring problem, we showed that the other 3D printing processes were consistent with high performance. Nevertheless, we demonstrated the principle of 3D printing electric motors.

3D printed motor↗

DOE OSTI2023

Electrospun PVA Fibers for Drug Delivery: A Review

Innovation in biomedical science is always a field of interest for researchers. Drug delivery, being one of the key areas of biomedical science, has gained considerable significance. The utilization of simple yet effective techniques such as electrospinning has undergone significant development in the field of drug delivery. Various polymers such as PEG (polyethylene glycol), PLGA (Poly(lactic-co-glycolic acid)), PLA(Polylactic acid), and PCA (poly(methacrylate citric acid)) have been utilized to prepare electrospinning-based drug delivery systems (DDSs). Polyvinyl alcohol (PVA) has recently gained attention because of its biocompatibility, biodegradability, non-toxicity, and ideal mechanical properties as these are the key factors in developing DDSs. Moreover, it has shown promising results in developing DDSs individually and when combined with natural and synthetic polymers such as chitosan and polycaprolactone (PCL). Considering the outstanding properties of PVA, the aim of this review paper was therefore to summarize these recent advances by highlighting the potential of electrospun PVA for drug delivery systems.

59 BASIC BIOLOGICAL SCIENCES↗