Theoretical study of dislocation nucleation from simple surface defects in semiconductors

Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain close to the theoretical strength, the results show that these defects weaken the atomic structure, initializing plastic deformations, in particular dislocations. The character of the dislocation nucleated can be predicted considering both the resolved shear stress related to the applied stress orientation and the Peierls stress. At low temperature, only glide events in the shuffle set planes are observed. Then they progressively disappear and are replaced by amorphization/melting zones at a temperature higher than 900 K

Hydration Properties and Interlayer Organization of Water and Ions in Synthetic Na-Smectite with Tetrahedral Layer Charge. Part 1. Results from X-ray Diffraction Profile Modeling

International audienceThe dehydration of two Na-saturated synthetic saponites with contrasting layer charge was studied by modeling the X-ray diffraction (XRD) patterns recorded along a water vapor desorption isotherm. The interlayer configurations used to reproduce the XRD data over a large angular range include Na+ cations located in the interlayer midplane and H2O molecules normally distributed about one or two main positions for mono- and bihydrated layers, respectively. Although strongly reduced in comparison to natural smectites, hydration heterogeneity was systematically observed for these synthetic saponites, especially along the transition between two hydration states. Using improved models for the description of the interlayer organization, the influence of layer charge on the structure of interlayer water can be precisely assessed. In addition, the comparison with water contents obtained from water vapor gravimetry experiments allows discriminating the relative contributions of H2O molecules from 1W and 2W interlayers (crystalline water) and from the pore space network

Estimation of the hydraulic parameters of unsaturated samples by electrical resistivity tomography

In situ and laboratory experiments have shown that electrical resistivity tomography (ERT) is an effective tool to image transient phenomena in soils. However, its application in quantifying soil hydraulic parameters has been limited. In this study, experiments of water inflow in unsaturated soil samples were conducted in an oedometer equipped to perform three-dimensional electrical measurements. Reconstructions of the electrical conductivity at different times confirmed the usefulness of ERT for monitoring the evolution of water content. The tomographic reconstructions were subsequently used in conjunction with a finite-element simulation to infer the water retention curve and the unsaturated hydraulic conductivity. The parameters estimated with ERT agree satisfactorily with those determined using established techniques, hence the proposed approach shows good potential for relatively fast characterisations. Similar experiments could be carried out on site to study the hydraulic behaviour of the entire soil deposi

Phase I Study of the Novel Enhancer of Zeste Homolog 2 (EZH2) Inhibitor GSK2816126 in Patients with Advanced Hematologic and Solid Tumors.

PURPOSE: Enhancer of zeste homolog 2 (EZH2) activity is dysregulated in many cancers. PATIENTS AND METHODS: This phase I study determined the safety, maximum-tolerated dose (MTD), pharmacokinetics, and pharmacodynamics of the intravenously administered, highly selective EZH2 inhibitor, GSK2816126, (NCT02082977). Doses of GSK2816126 ranged from 50 to 3,000 mg twice weekly, and GSK2816126 was given 3-weeks-on/1-week-off in 28-day cycles. Eligible patients had solid tumors or B-cell lymphomas with no available standard treatment regimen. RESULTS: Forty-one patients (21 solid tumors, 20 lymphoma) received treatment. All patients experienced ≥1 adverse event (AE). Fatigue [22 of 41 (53.7%)] and nausea [20 of 41 (48.8%)] were the most common toxicity. Twelve (32%) patients experienced a serious AE. Dose-limiting elevated liver transaminases occurred in 2 of 7 patients receiving 3,000 mg of GSK2816126; 2,400 mg was therefore established as the MTD. Following intravenous administration of 50 to 3,000 mg twice weekly, plasma GSK2816126 levels decreased biexponentially, with a mean terminal elimination half-life of approximately 27 hours. GSK2816126 exposure (maximum observed plasma concentration and area under the plasma-time curve) increased in a dose-proportional manner. No change from baseline in H3K27me3 was seen in peripheral blood mononuclear cells. Fourteen of 41 (34%) patients had radiological best response of stable disease, 1 patient with lymphoma achieved a partial response, 21 of 41 (51%) patients had progressive disease, and 5 patients were unevaluable for antitumor response. CONCLUSIONS: The MTD of GSK2816126 was established at 2,400 mg, but the dosing method and relatively short half-life limited effective exposure, and modest anticancer activity was observed at tolerable doses