Thermodynamics of concentrated solid solution alloys

This paper 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

Imaging Hepatocellular Carcinoma With 68Ga-Citrate PET: First Clinical Experience.

While cross-sectional imaging with computed tomography (CT) and magnetic resonance imaging is the primary method for diagnosing hepatocellular carcinoma (HCC), they provide little biological insight into this molecularly heterogeneous disease. Nuclear imaging tools that can detect molecular subsets of tumors could greatly improve diagnosis and management of HCC. To this end, we conducted a patient study to determine whether HCC can be resolved using 68Ga-citrate positron emission tomography (PET). One patient with recurrent HCC was injected with 300 MBq of 68Ga-citrate and imaged with PET/CT 249 minutes post injection. Four (28%) of 14 hepatic lesions were avid for 68Ga-citrate. One extrahepatic lesion was not PET avid. The average maximum standardized uptake value (SUVmax) for the lesions was 7.2 (range: 6.2-8.4), while the SUVmax of the normal liver parenchyma was 4.7 and blood pool was 5.7. The avid lesions were not significantly larger than the quiescent lesions, and a prior contrast CT showed uniform enhancement among the lesions, suggesting that tumor signals are due to specific binding of the radiotracer to the transferrin receptor, rather than enhanced vascularity in the tumor microenvironment. Further studies are required in a larger patient cohort to verify the molecular basis of radiotracer uptake and the clinical utility of this tool

The Asymptotic Form of Cosmic Structure: Small Scale Power and Accretion History

We explore the effects of small scale structure on the formation and equilibrium of dark matter halos in a universe dominated by vacuum energy. We present the results of a suite of four N-body simulations, two with a LCDM initial power spectrum and two with WDM-like spectra that suppress the early formation of small structures. All simulations are run into to far future when the universe is 64Gyr/h old, long enough for halos to essentially reach dynamical equilibrium. We quantify the importance of hierarchical merging on the halo mass accretion history, the substructure population, and the equilibrium density profile. We modify the mass accretion history function of Wechsler et al. (2002) by introducing a parameter, \gamma, that controls the rate of mass accretion, dln(M) / dln(a) ~ a^(-\gamma), and find that this form characterizes both hierarchical and monolithic formation. Subhalo decay rates are exponential in time with a much shorter time scale for WDM halos. At the end of the simulations, we find truncated Hernquist density profiles for halos in both the CDM and WDM cosmologies. There is a systematic shift to lower concentration for WDM halos, but both cosmologies lie on the same locus relating concentration and formation epoch. Because the form of the density profile remains unchanged, our results indicate that the equilibrium halo density profile is set independently of the halo formation process.Comment: 17 pages, submitted to ApJ. Full resolution version avaliable at http://www-personal.umich.edu/~mbusha/Papers/AccretionHistory.pd