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Zhang, F.

Publications and source records attributed to Zhang, F..

At least 73 records · Page 4
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DOE OSTI2017

Thermodynamics of concentrated solid solution alloys

This study reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation driving force plots of the σ phase using CALPHAD method. The temperature-dependent total entropies of the FCC, BCC, HCP, and σ phases in equimolar compositions of various systems are presented next, followed by the thermodynamic properties of mixing of the BCC phase in Al-containing and Ti-containing refractory metal systems. First-principles calculations on model FCC, BCC and HCP CSSA reveal the presence of both positive and negative vibrational entropies of mixing, while the calculated electronic entropies of mixing are negligible. Temperature dependent configurational entropy is determined from the atomic structures obtained from MC/MD simulations. Current status and challenges in using these methodologies as they pertain to thermodynamic property analysis and CSSA design are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Structural hierarchy as a key to complex phase selection in Al-Sm

Investigating the unknown structure of the complex cubic phase, previously observed to crystallize from melt-spun amorphous Al–10 at.% Sm alloy, we determine the structure in full site-occupancy detail, highlighting several critical structural features that govern the far-from-equilibrium phase selection pathway. Using an efficient genetic algorithm combining molecular dynamics, density functional theory, and x-ray diffraction, the structure is clearly identified as body-centered cubic Im¯3m (No. 229) with ~140 atoms per cubic unit cell and a lattice parameter of 1.4 nm. The complex structure is further refined to elucidate the detailed site occupancy, revealing full Sm occupancy on 6b sites and split Sm/Al occupancy on 16f sites. Based on the refined site occupancy associated with the experimentally observed phase, we term this phase ε–Al 60 Sm 11 (bcc), corresponding to the limiting situation when all 16f sites are occupied by Sm. However, it should be recognized that the range of solubility enabled by split occupancy at Sm sites is an important feature in phase selection under experimental conditions, permitting an avenue for transition with little or no chemical partitioning. Our analysis shows that the ε–Al 60 Sm 11 (bcc) exhibits a “3-6-6-1” first-shell packing around Sm centers on 16f sites, the same dominant motif exhibited by the undercooled liquid. Here, the coincident motif supports the notion that liquid/glass ordering at high undercooling may give rise to topological invariants between the noncrystalline and crystalline states that provide kinetic pathways to metastable phases that are not accessible during near-equilibrium processing.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Study of Jet Quenching with Z + jet Correlations in Pb-Pb and p p Collisions at s N N = 5.02 TeV

The production of jets in association with Z bosons, reconstructed via the μ + μ – and e + e – decay channels, is studied in p p and, for the first time, in Pb-Pb collisions. Both data samples were collected by the CMS experiment at the LHC, at a nucleon-nucleon center-of-mass energy of 5.02 TeV. The Pb-Pb collisions were analyzed in the 0%–30% centrality range. The back-to-back azimuthal alignment was studied in both p p and Pb-Pb collisions for Z bosons with transverse momentum p T Z > 60 GeV / c and a recoiling jet with p T jet > 30 GeV / c . The p T imbalance x j Z = p T jet / p T Z , as well as the average number of jet partners per Z , R j Z , was studied in intervals of p T Z . The R j Z is found to be smaller in Pb-Pb than in p p collisions, which suggests that in Pb-Pb collisions a larger fraction of partons associated with the Z bosons fall below the 30 GeV / c p T jet threshold because they lose energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Characterisation of irradiated thin silicon sensors for the CMS phase II pixel upgrade

The high luminosity upgrade of the Large Hadron Collider, foreseen for 2026, necessitates the replacement of the CMS experiment’s silicon tracker. The innermost layer of the new pixel detector will be exposed to severe radiation, corresponding to a 1 MeV neutron equivalent fluence of up to $\Phi _{eq} = 2 \times 10^{16}$ cm$^{-2}$ , and an ionising dose of ${\approx } 5$ MGy after an integrated luminosity of 3000 fb$^{-1}$ . Thin, planar silicon sensors are good candidates for this application, since the degradation of the signal produced by traversing particles is less severe than for thicker devices. In this paper, the results obtained from the characterisation of 100 and 200 $\upmu $ m thick p-bulk pad diodes and strip sensors irradiated up to fluences of $\Phi _{eq} = 1.3 \times 10^{16}$ cm$^{-2}$ are shown.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗