Molecular Dynamics Study of Self-Diffusion in Zr

We employed a recently developed semi-empirical Zr potential to determine the diffusivities in the hcp and bcc Zr via molecular dynamics simulation. The point defect concentration was determined directly from MD simulation rather than from theoretical methods using T=0 calculations. We found that the diffusion proceeds via the interstitial mechanism in the hcp Zr and both the vacancy and interstitial mechanisms give contribution in diffusivity in the bcc Zr. The agreement with the experimental data is excellent for the hcp Zr and for the bcc Zr it is rather good at high temperatures but there is a considerable disagreement at low temperatures

Weak Localization Thickness Measurements of Si:P Delta-Layers

We report on our results for the characterization of Si:P delta-layers grown by low temperature molecular beam epitaxy. Our data shows that the effective thickness of a delta-layer can be obtained through a weak localization analysis of electrical transport measurements performed in perpendicular and parallel magnetic fields. An estimate of the diffusivity of phosphorous in silicon is obtained by applying this method to several samples annealed at 850 Celsius for intervals of zero to 15 minutes. With further refinements, this may prove to be the most precise method of measuring delta-layer widths developed to date, including that of Secondary Ion Mass Spectrometry analysis

Fe and N self-diffusion in non-magnetic Fe:N

Fe and N self-diffusion in non-magnetic FeN has been studied using neutron reflectivity. The isotope labelled multilayers, FeN/57Fe:N and Fe:N/Fe:15N were prepared using magnetron sputtering. It was remarkable to observe that N diffusion was slower compared to Fe while the atomic size of Fe is larger compared to N. An attempt has been made to understand the diffusion of Fe and N in non-magnetic Fe:N

The effect of excess atomic volume on He bubble formation at fcc-bcc interfaces

Atomistic modeling shows that Cu–Nb and Cu–V interfaces contain high excess atomic volume due to constitutional vacancy concentrations of ∼ 5 at. % and ∼ 0.8 at. %., respectively. This finding is supported by experiments demonstrating that an approximately fivefold higher He concentration is required to observe He bubbles via through-focus transmission electron microscopy at Cu–Nb interfaces than in Cu–V interfaces. Interfaces with structures tailored to minimize precipitation and growth of He bubbles may be used to design damage-resistant composites for fusion reactors.United States. Dept. of Energy. Office of Basic Energy Sciences (award 2008LANL1026

Spontaneous alloying in binary metal microclusters - A molecular dynamics study -

Microcanonical molecular dynamics study of the spontaneous alloying(SA), which is a manifestation of fast atomic diffusion in a nano-sized metal cluster, is done in terms of a simple two dimensional binary Morse model. Important features observed by Yasuda and Mori are well reproduced in our simulation. The temperature dependence and size dependence of the SA phenomena are extensively explored by examining long time dynamics. The dominant role of negative heat of solution in completing the SA is also discussed. We point out that a presence of melting surface induces the diffusion of core atoms even if they are solid-like. In other words, the {\it surface melting} at substantially low temperature plays a key role in attaining the SA.Comment: 15 pages, 12 fgures, Submitted to Phys.Rev.

Aging mechanisms for concrete components of High-Level Waste storage tanks

The age-related degradation mechanisms which affect the concrete and the reinforcing steel in the high-level waste (HLW) storage tanks art evaluated with respect to their potential significance to the continued performance of the concrete, and am classified into non-significant and potentially significant. The identified potentially significant degradation mechanisms include the effects of elevated temperature, freezing and thawing, leaching of calcium hydroxide, aggressive chemical attack, and corrosion of the reinforcing steel. To the extent that available knowledge permits, these mechanisms are generically evaluated and quantified so that site-specific plans may be developed to verify whether significant degradation has occurred in the concrete, and, if so, to formulate mitigating measures to avoid further deterioration and possibly repair the degradation or pursue other management options

Computer Simulation of Final-Stage Sintering: I, Model Kinetics, and Microstructure

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/65565/1/j.1151-2916.1990.tb06686.x.pd

Brain death, states of impaired consciousness, and physician-assisted death for end-of-life organ donation and transplantation

In 1968, the Harvard criteria equated irreversible coma and apnea (i.e., brain death) with human death and later, the Uniform Determination of Death Act was enacted permitting organ procurement from heart-beating donors. Since then, clinical studies have defined a spectrum of states of impaired consciousness in human beings: coma, akinetic mutism (locked-in syndrome), minimally conscious state, vegetative state and brain death. In this article, we argue against the validity of the Harvard criteria for equating brain death with human death. (1) Brain death does not disrupt somatic integrative unity and coordinated biological functioning of a living organism. (2) Neurological criteria of human death fail to determine the precise moment of an organism’s death when death is established by circulatory criterion in other states of impaired consciousness for organ procurement with non-heart-beating donation protocols. The criterion of circulatory arrest 75 s to 5 min is too short for irreversible cessation of whole brain functions and respiration controlled by the brain stem. (3) Brain-based criteria for determining death with a beating heart exclude relevant anthropologic, psychosocial, cultural, and religious aspects of death and dying in society. (4) Clinical guidelines for determining brain death are not consistently validated by the presence of irreversible brain stem ischemic injury or necrosis on autopsy; therefore, they do not completely exclude reversible loss of integrated neurological functions in donors. The questionable reliability and varying compliance with these guidelines among institutions amplify the risk of determining reversible states of impaired consciousness as irreversible brain death. (5) The scientific uncertainty of defining and determining states of impaired consciousness including brain death have been neither disclosed to the general public nor broadly debated by the medical community or by legal and religious scholars. Heart-beating or non-heart-beating organ procurement from patients with impaired consciousness is de facto a concealed practice of physician-assisted death, and therefore, violates both criminal law and the central tenet of medicine not to do harm to patients. Society must decide if physician-assisted death is permissible and desirable to resolve the conflict about procuring organs from patients with impaired consciousness within the context of the perceived need to enhance the supply of transplantable organs