Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Tm”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm2NiSn6 by Materials Project

Tm2NiSn6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.16–3.44 Å. Ni is bonded in a body-centered cubic geometry to eight Sn atoms. All Ni–Sn bond lengths are 2.71 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm and two equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Tm and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Ni2Pb by Materials Project

Tm2Ni2Pb crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Pb atoms. There are four shorter (2.81 Å) and two longer (2.91 Å) Tm–Ni bond lengths. All Tm–Pb bond lengths are 3.35 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tm, two equivalent Ni, and one Pb atom. Both Ni–Ni bond lengths are 2.45 Å. The Ni–Pb bond length is 2.82 Å. Pb is bonded in a 10-coordinate geometry to eight equivalent Tm and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(GaNi3)2 by Materials Project

Tm3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.73 Å) and four longer (3.01 Å) Tm–Ni bond lengths. All Tm–Ga bond lengths are 3.14 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.55 Å) and two longer (2.84 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.46 Å. Ga is bonded to six equivalent Tm and six equivalent Ni atoms to form a mixture of face and corner-sharing GaTm6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmPPd by Materials Project

TmPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Tm–Pd bond distances ranging from 3.01–3.25 Å. There are a spread of Tm–P bond distances ranging from 2.81–2.89 Å. Pd is bonded to six equivalent Tm, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted face, edge, and corner-sharing PdTm6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.99 Å. There are a spread of Pd–P bond distances ranging from 2.53–2.76 Å. P is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(SiNi3)2 by Materials Project

Tm3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.79 Å) and four longer (2.91 Å) Tm–Ni bond lengths. All Tm–Si bond lengths are 3.09 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.51 Å. Both Ni–Si bond lengths are 2.39 Å. Si is bonded to six equivalent Tm and six equivalent Ni atoms to form a mixture of corner and face-sharing SiTm6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCuGe by Materials Project

TmCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of face and edge-sharing TmCu6Ge6 cuboctahedra. All Tm–Cu bond lengths are 3.03 Å. All Tm–Ge bond lengths are 3.03 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGePd2 by Materials Project

TmPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Tm–Pd bond distances ranging from 3.03–3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.96–3.03 Å. Pd is bonded in a 7-coordinate geometry to four equivalent Tm and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.65 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmMnSi by Materials Project

TmMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to six equivalent Mn and five equivalent Si atoms. There are a spread of Tm–Mn bond distances ranging from 2.97–3.24 Å. There are a spread of Tm–Si bond distances ranging from 2.88–2.92 Å. Mn is bonded in a 4-coordinate geometry to six equivalent Tm and four equivalent Si atoms. There are a spread of Mn–Si bond distances ranging from 2.46–2.70 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCdNi4 by Materials Project

TmNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Tm–Ni bond lengths are 2.90 Å. All Tm–Cd bond lengths are 3.02 Å. Ni is bonded to three equivalent Tm, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiTm3Cd3Ni6 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.48 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.89 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGeIr by Materials Project

TmIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Tm–Ir bond distances ranging from 3.01–3.26 Å. There are a spread of Tm–Ge bond distances ranging from 2.95–3.01 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.55–2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlZn by Materials Project

TmZnAl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to six equivalent Zn and six equivalent Al atoms to form a mixture of edge and face-sharing TmAl6Zn6 cuboctahedra. All Tm–Zn bond lengths are 3.11 Å. All Tm–Al bond lengths are 3.11 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Al atoms. All Zn–Al bond lengths are 2.59 Å. Al is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Persona of Transition Metal Ions in Solids: A Statistical Learning on Local Structures of Transition Metal Oxides

Abstract The local structure of a transition metal (TM) ion is a function of cation elements and valence states. More than that, in this work, by employing a trove of first‐principles data of TM oxides, the local structures of TM cations are statistically analyzed to extract detailed information about cation site preference, bond length, site structural distortion, and cation magnetization. It is found that cation radius alone poorly describes the local structure of a transition metal oxide, while the statistics of coordination number as well as the TMO bond length distribution, especially that of the 3d TMs, can provide comprehensive knowledge for understanding the behavior of TM elements. Based on these statistics, the interplay of site distortion due to the Jahn–Teller effect, cation site similarity, and a new set of ionic radii are all obtained to chart the “persona” of transition metal ions in solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Insights into the Crossover Effects in Cells with High‐Nickel Layered Oxide Cathodes and Silicon/Graphite Composite Anodes

Abstract Silicon anodes are regarded as one of the most promising alternatives to graphite (Gr) anodes due to their ultrahigh capacity, abundance, and low cost. Coupling Si‐based anodes with high‐nickel layered oxide cathodes LiNi x Mn y Co 1− x − y O 2 (NMC, x ≥ 0.8) can enhance the driving range for electric vehicles. Transition‐metal (TM) ion dissolution and deposition has been a long‐known failure mode for Gr‐based lithium‐ion batteries. However, the mechanistic insight associated with TM ion deposition on Si‐based anodes has rarely been reported. Herein, the impact of in situ deposited TM ions on SiO x /Gr composite anodes and the individual influences of Ni, Mn, and Co on the structural and electrochemical stability along with the underlying degradation mechanisms are presented. TM ion dissolution causes a greater deleterious impact on Si than on Gr, with different TM ions exhibiting different influences on anode‐electrolyte interphase formation. Specifically, Ni deposit induces more aggressive salt decomposition; Co deposit has negligible effect on salt decomposition, but significantly accelerates solvent decomposition; and Mn deposit aggravates both salt and solvent decompositions, resulting in worse full cell performance. The extent of degradation decreases in the order Mn 2+ > Ni 2+ > Co 2+ . The systematic comparisons presented can guide further development of high energy systems.

Zhang, Xianhui↗
DOE OSTI2020

Deciphering the Oxygen Absorption Pre-edge: A Caveat on its Application for Probing Oxygen Redox Reactions in Batteries

The pre-edges of oxygen-K X-ray absorption spectra have been ubiquitous in transition metal (TM) oxide studies in various fields, especially on the fervent topic of oxygen redox states in battery electrodes. However, critical debates remain on the use of the O-K pre-edge variations upon electrochemical cycling as evidences of oxygen redox reactions, which has been a popular practice in the battery field. This study presents an investigation of the O-K pre-edge of 55 oxides covering all 3d TMs with different elements, structures, and electrochemical states through combined experimental and theoretical analyses. It is shown unambiguously that the O-K pre-edge variation in battery cathodes is dominated by changing TM-d states. Furthermore, the pre-edge enables a unique opportunity to project the lowest unoccupied TM-d states onto one common energy window, leading to a summary map of the relative energy positions of the low-lying TM states, with higher TM oxidation states at lower energies, corresponding to higher electrochemical potentials. The results naturally clarify some unusual redox reactions, such as Cr 3+/6+ . This work provides a critical clarification on O-K pre-edge interpretation and more importantly a benchmark database of O-K pre-edge for characterizing redox reactions in batteries and other energy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tunicamycin-induced endoplasmic reticulum stress inhibits chemoresistance of FaDu hypopharyngeal carcinoma cells in 3D collagen I cultures and in vivo

Highlights: • 3D collagen I culture induces chemoresistance of FaDu hypopharyngeal carcinoma cells. • Tunicamycin-induced ER stress inhibits chemoresistance in collagen I cultures. • Tunicamycin-induced ER stress potentiates anticancer efficacy in vivo. • Tunicamycin-induced ER stress inhibits TGF-β1 and modifies integrin β1 glycosylation. The prognosis in patients with advanced head and neck squamous cell carcinoma (HNSCC) is widely affected by the resistance to chemotherapy. As a culture scaffold, collagen I was showed to promote CSC (cancer stem cell) properties of cancer cells which could be used as in vitro models to study the chemoresistance in HNSCC. Endoplasmic reticulum (ER) stress is a cellular stress condition which could affect tumor progression and promote the anti-tumor effects of certain drugs. However, the impact of ER stress on collagen I induced CSC properties and chemoresistance of HNSCC cells has not been addressed. In this study we investigated the effects of tunicamycin (TM) induced ER stress on the stemness and sensitivity to chemotherapeutic drugs of FaDu hypopharyngeal carcinoma cells in 3D (three-dimensional) collagen I cultures and mouse xenograft models. Our study revealed that Collagen I scaffold promoted CSC properties and increased G1 population of FaDu cells in 3D cultures, accompanied by maturation of integrin β1 and enhanced activated TGF-β1 concentration. Compared to 2D (two-dimensional) cultured cells, cells in 3D Collagen I scaffold exhibited significantly increased resistance to chemotherapeutic drugs of cisplatin and paclitaxel. Further analysis revealed that TM induced ER stress preferentially attenuated chemoresistance of FaDu cells in 3D collagen I, downregulated their CSC properties and TGF-β1 concentration and resulted in deglycosylation of integrin β1. TM was further evaluated in the mouse xenograft models and showed significant tumor growth inhibition in combination with paclitaxel than either TM or paclitaxel alone. Taken together, Our findings suggest that TM-induced ER stress potentiates anticancer efficacy of FaDu cells in 3D cultures and in vivo, and highlight implications for targeting chemotherapy-resistant cancer stem cells under ER stress conditions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Interpreting AI for fusion: An application to plasma profile analysis for tearing mode stability

Artificial intelligence models have demonstrated strong predictive capabilities for various instabilities in fusion devices such as Tokamaks, including tearing modes (TM), edge localized modes, and disruptive events, but their opaque nature raises concerns about safety and trustworthiness when applied to fusion power plants. Here, we present a physics-based interpretation framework using a TM prediction model as a demonstration that is validated through a dedicated DIII-D TM avoidance experiment. By applying Shapley analysis, we identify how profiles such as rotation, temperature, and density contribute to the model's prediction of TM stability. Our analysis shows that in our experimental scenario, core electron temperature and rotation peaking play the primary role in TM stability, while density changes have smaller effects on stability. We show that off-axis ion temperature stabilizes TMs, suggesting that off-axis neutral beam heating can further stabilize this scenario. This work presents a generalizable ML-based event prediction methodology, from training to physics-driven interpretation, bridging the gap between physics understanding and opaque ML models.

Farre-Kaga, Hiro J. [Princeton Univ., NJ (United S↗
DOE OSTI2022

Accelerating the magnetic island by the modulated resonant magnetic perturbation for the disruption avoidance on J-TEXT

We report the acceleration of the magnetic island rotation by the modulated resonant magnetic perturbation (MRMP) has been studied in J-TEXT tokamak experiments. After applying the MRMP, the phase difference between the tearing mode (TM) and MRMP, Δξ, oscillated near the effective phase difference, Δξ eff , which was defined as the time averaged value of Δξ. When the Δξ eff was closed to the—π/2, the MRMP only contributed an accelerating torque on the TM. As the result, the TM rotation frequency was increased by a few kilohertz for the optimized relative phase by small RMPs of the order of 10 -5 of the toroidal field and the locked mode induced disruption was avoided. It is found that the TM rotation could be increased to a higher frequency by applying a stronger MRMP. There is a negative sinusoidal relationship between TM frequency and Δξ eff .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗