Personne
Michael Frederick Francis
Cette personne n’est plus à l’EPFL
Publications associées (9)
Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)
William Curtin, Michael Frederick Francis
Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction e ...
Amer Chemical Soc2017Elastic Effects in Adsorbate-Adsorbate Interactions of C and S on a Stepped Ru Surface
William Curtin, Michael Frederick Francis
We examine strain modification of adsorbate adsorbate inter- action in the (C*+S*)/fcc-Ru(211) system for relevance to biomass to hydrocarbon catalysis and the broader case of interaction changes under strain. Applied biaxial strains from -3% to +3% shift ...
Amer Chemical Soc2017Microalloying for the controllable delay of precipitate formation in metal alloys
William Curtin, Michael Frederick Francis
A model is presented to predict the effectiveness of dilute solutes in delaying precipitate formation, with application to natural and artificial aging in metal alloys. Control of aging is achieved via the binding, at natural aging temperatures, and releas ...
Elsevier2016Magnesium interatomic potential for simulating plasticity and fracture phenomena
William Curtin, Michael Frederick Francis
Magnesium has multiple dislocation and twinning systems with starkly different properties, which make its plastic deformation strongly anisotropic and highly complex. Existing empirical interatomic potentials fail to capture the full scope of these propert ...
Institute of Physics2015Mechanical work makes important contributions to surface chemistry at steps
William Curtin, Michael Frederick Francis
The effect of mechanical strain on the binding energy of adsorbates to late transition metals is believed to be entirely controlled by electronic factors, with tensile stress inducing stronger binding. Here we show, via computation, that mechanical strain ...
Nature Publishing Group2015Thermodynamics, structure, and charge state of hydrogen-vacancy complexes in delta-plutonium
Hydrogen-vacancy complexes can form in a material due to the exothermic binding of hydrogen atoms to vacancy sites. We explore the structure and electronic properties of hydrogen-vacancy complexes in delta-Pu using a density functional theory supercell app ...
American Physical Society2014Diffusion on Demand to Control Precipitation Aging: Application to Al-Mg-Si Alloys
William Curtin, Michael Frederick Francis
We demonstrate experimentally that a part-per-million addition of Sn solutes in Al-Mg-Si alloys can inhibit natural aging and enhance artificial aging. The mechanism controlling the aging is argued to be vacancy diffusion, with solutes trapping vacancies a ...
American Physical Society2014Hydrogen trapping in delta-Pu: insights from electronic structure calculations
Density functional theory calculations have been performed to provide details of the structural and charge-transfer details related to the solid solution of hydrogen in (delta)-plutonium. We follow the Flanagan model that outlines the process by which hydr ...
Iop Publishing Ltd2013First-principles insights into the structure of the incipient magnesium oxide and its instability to decomposition: Oxygen chemisorption to Mg(0001) and thermodynamic stability
In this paper, a detailed density functional theory analysis of oxygen binding to Mg(0001) and subsequent clustering is presented. Oxygen monomer adsorption to Mg(0001) is demonstrated to be subsurface. It is shown that magnesium mediates an attractive oxy ...
Amer Physical Soc2013