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At least 163 records · Page 9

Directionally solidified iron-base eutectic alloys

Pseudobinary eutectic alloys with nominal compositions of Fe-25Ta-22Ni-10Cr and Fe-15.5Nb-14.5Ni-6.0Cr were directionally solidified at 0.5 centimeter per hour. Their microstructure consisted of the fcc, iron solid-solution, matrix phase reinforced by about 41-volume-percent, hcp, faceted Fe2Ta fibers and 41-volume-percent, hcp, Fe2Nb lamellae for the tantalum- and niobium-containing alloys, respectively. The microstructural stability under thermal cycling and the temperature dependence of tensile properties were investigated. These alloys showed low elevated-temperature strength and were not considered suitable for application in aircraft-gas-turbine blades although they may have applicability as vane materials.

Tewari, S. N.↗

Containerless processing of Nb-Ge alloys in a long drop tube

The thirty-two meter drop tube at the Marshall Space Flight Center was used to study the effect of zero gravity containerless processing on the structure and properties of materials. The concept involves the suppression of heterogeneous nucleation of solid in liquid and, therefore, solidification accompanied by large degrees of undercooling. Under these conditions metastable phases can be formed or, at the very least, unique nonequilibrium microstructures (containing equilibrium phases) with unique properties can be produced. The drop tube solidification was applied to niobium base alloys with emphasis on the Nb-Ge binary system in an effort to produce metastable phases with high superconducting transition temperatures in bulk specimens. In the past, only lower Ge alloys (Nb-13 a/o, Nb-18 a/o, and Nb-22 a/o) could be undercooled. Higher Ge alloys (e.g., Nb-25 a/o Ge and Nb-27 a/o Ge) can now be undercooled on a routine basis.

Bayuzick, R. J.↗

Phase Stability in U-6Nb Alloy Doped with Ti from the First Principles Theory

First-principles calculations within the density-functional-theory (DFT) approach are conducted in order to explore and explain the effect of small amounts of titanium on phase stability in the U-6Nb alloy. During rapid quenching from high to room temperature, metastable phases α' (orthorhombic), α" (monoclinic), and γ 0 (tetragonal) can form, depending on Nb concentration. Important mechanical properties depend on the crystal structure and, therefore, an understanding of the effect of impurities on phase stability is essential. Insights on this issue are obtained from quantum-mechanical DFT calculations. The DFT framework does not rely on any material-specific assumptions and is therefore ideal for an unbiased investigation of the U-Nb system.

36 MATERIALS SCIENCE↗

NbTaV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution ternary alloys niobium-tantalum-vanadium (Nb-Ta-V). The first-principle code that has been used to run the calculations is the closed-source Vienna Ab-Initio Simulation Package (VASP). The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 8. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 10,500 randomized atomic structures over 105 chemical compositions. The calculations have been collected on NERSC-Perlmutter using the VASP 6.3.2. The VASP calculations for every atomic structure have been performed in 2 main steps: 1. Starting from an ideal body-centered-cubic (BCC) structure, geometry optimization with low precision has been executed to perform a preliminary optimization of the atomic structure. The output for this calculations is available in the files 0.CONTCAR, 0.OUTCAR, rlx1.out. 2. Using the atomic structure resulting from the preliminary geometry optimization, a second geometry optimization has been performed using normal precision. The output for this calculations is available in the files CONTCAR, OUTCAR, rlx2.out, vaspout.h5, and vasprun.xml. Every chemical composition sampled across the composition range in the dataset has its own directory. The convention used to name the directories for ternary alloys is AXBYCZ, where A, B, and C refer to the constituents, and X, Y, and Z are positive integers that represent the number of atoms for each constituent and their values still sum up to 128. Each atomic structure associated with a specific chemical composition has its own sub-directory within the directory of the corresponding chemical composition. The sub-directories for each atomic structure for each chemical composition are named 'case-*', where * is a positive integer that spans all the values from 1 through 100, extremes included. The files contained in each sub-directory 'case-*' for each atomic structure are as follows: 1. INCAR: input file that contains various parameters and settings for controlling the behavior of the electronic structure calculations 2. 0.POSCAR: input file that defines the atomic structure of a system 3. 0.CONTCAR: output file that provides the atomic positions and cell parameters after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 4. 0.OUTCAR: output file that contains detailed information about the progress of a calculation after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 5. rlx1.out: file with diagnostic information about the execution of the first geometry optimization with precision variable set to PREC=Low in the INCAR file 6. POSCAR: input file that defines the atomic structure of a system after the first geometry optimization has been run at low precision. This represents the input for the second geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 7. CONTCAR: output file that provides the atomic positions and cell parameters after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 8. OUTCARL: output file that contains detailed information about the progress of a calculation after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 9. rlx2.out: file with diagnostic information about the execution of the second geometry optimization with precision variable set to PREC=Normal in the INCAR file 10. vaspout.h5: hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file we recommend using py4vasp. This file is only produced if the VASP version used is compiled with HDF5 support 11. vasprun.xml: contains similar information to OUTCAR, but in an xml format. This research is sponsored by the Artificial Intelligence Initiative as part of the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. This work used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, under Directorate Discretionary awards MAT025 (Materials Science) and LRN026 (Machine Learning), and INCITE award MAT201. This work also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under award ERCAP0025216.

36 MATERIALS SCIENCE↗

Impact of microstructure on elastic properties in the alloy Ti-42Al-8.5 Nb

The microstructure of a γ-TiAl alloy containing niobium undergoes continuous transformations during annealing at 550 °C. These take place within the α 2 -phase of lamellar (α 2 +γ) colonies. We have characterized these changes by transmission electron microscopy and made a correlation to the elastic constants determined by resonant ultrasonic spectroscopy during in-situ annealing at the same temperature. Further, the results show a continuous increase of the E-modulus. This can be attributed to elastic strains acting within α 2 lamellae as a result of lattice transformations. After 5000h, a thermodynamic equilibrium was established with equal fractions of α 2 -phase and O-phase that differ only in lattice symmetry and Nb content. Generally, the presence of O-phase should contribute to lower elastic moduli, however in the present case the evolving microstructural characteristics were responsible for the observed increase in the E-modulus.

36 MATERIALS SCIENCE↗

Reassembly and Test of High-Field Nb3Sn Dipole Demonstrator MDPCT1

In the framework of the U.S. Magnet Development Program (MDP), Fermilab has developed and tested a high-field Nb$_3$Sn dipole demonstrator MDPCT1 for a post-LHC Hadron Collider. The magnet was first assembled with a lower coil pre-load to minimize the risk of coil damage during assembly and test. In the first test the magnet reached its test goal producing a world record field of 14.1 T at 4.5 K. Next the magnet was reassembled with nominal pre-load to achieve its design field limit of 15 T. This paper describes the details of MDPCT1 inspection, design modifications and reassembly. The magnet quench performance, including training, ramp rate and temperature dependences in the temperature range of 1.9-4.5 K, is presented and discussed.

43 PARTICLE ACCELERATORS↗