Search Results - "NASTAR, Maylise"

Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe–X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys by Messina, Luca, Schuler, Thomas, Nastar, Maylise, Marinica, Mihai-Cosmin, Olsson, Pär

“…[Display omitted] This work investigates solute transport due to self-interstitial defects and radiation induced segregation tendencies in dilute ferritic…”
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Modeling radiation induced segregation in iron–chromium alloys by Senninger, Oriane, Soisson, Frédéric, Martínez, Enrique, Nastar, Maylise, Fu, Chu-Chun, Bréchet, Yves

“…Radiation induced segregation in ferritic Fe–Cr alloys is studied by Atomistic Kinetic Monte Carlo simulations that include diffusion of chemical species by…”
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Thermodynamic model for lattice point defect-mediated semi-coherent precipitation in alloys by Nastar, Maylise, Belkacemi, Lisa T., Meslin, Estelle, Loyer-Prost, Marie

“…The formation of precipitates with an atomic volume different from their parent phase eventually leads to a loss of the lattice continuity at the…”
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Complex precipitation pathways in multicomponent alloys by Clouet, Emmanuel, Laé, Ludovic, Épicier, Thierry, Lefebvre, Williams, Nastar, Maylise, Deschamps, Alexis

“…One usual way to strengthen a metal is to add alloying elements and to control the size and the density of the precipitates obtained. However, precipitation in…”
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Atomistic Modelling of Segregation and Precipitation in Fe-Cr Alloys under Irradiation by Soisson, Frédéric, Fu, Chu Chun, Jourdan, Thomas, Nastar, Maylise, Senninger, Oriane, Martinez, Enrique, Bréchet, Yves

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Vacancy formation free energy in concentrated alloys: Equilibrium vs. random sampling by Li, Kangming, Schuler, Thomas, Fu, Chu-Chun, Nastar, Maylise

“…Special Quasi-random Structures (SQSs) are often used to model disordered alloys in small simulation cells. Yet, SQS-based sampling yields defect formation…”
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Transport properties of dilute alpha − Fe ( X ) solid solutions ( X = C, N, O) by Schüler, Thomas, Nastar, Maylise

“…We extend the self-consistent mean field (SCMF) method to the calculation of the Onsager matrix of Fe-based interstitial solid solutions. Both interstitial…”
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Exact ab initio transport coefficients in bcc Fe − X ( X = Cr , Cu , Mn , Ni , P , Si ) dilute alloys by Messina, Luca, Nastar, Maylise, Garnier, Thomas, Domain, Christophe, Olsson, Pär

“…Defect-driven diffusion of impurities is the major phenomenon leading to formation of embrittling nanoscopic precipitates in irradiated reactor pressure vessel…”
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Elastodiffusion calculation of asymptotic absorption efficiencies and bias factors of dislocations in Al, Ni and Fe by Huang, Liangzhao, Nastar, Maylise, Messina, Luca, Schuler, Thomas

“…The elastic interactions between dislocations and lattice point defects (PDs) control the rate of PD elimination at dislocations, and thereby the PD spatial…”
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Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron by Messina, Luca, Nastar, Maylise, Sandberg, Nils, Olsson, Pär

“…The diffusion properties of a wide range of impurities (transition metals and Al, Si, and P) in ferritic alloys are here investigated by means of a combined ab…”
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Coarse-grained kinetic Monte Carlo simulation of diffusion in alloys by Garnier, Thomas, Nastar, Maylise

“…We present a coarse-grained Monte Carlo method designed for the simulation of vacancy-mediated diffusion phenomena. A coarse-grained master equation is derived…”
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Towards accurate thermodynamics from random energy sampling by Schuler, Thomas, Nastar, Maylise, Li, Kangming, Fu, Chu-Chun

“…Special Quasi-random Structures (SQSs) are often used to model disordered alloys in small simulation cells. Yet, SQS-based sampling yields chemical potentials…”
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KineCluE: A kinetic cluster expansion code to compute transport coefficients beyond the dilute limit by Schuler, Thomas, Messina, Luca, Nastar, Maylise

“…•Transport coefficients are derived as a sum of intrinsic equilibrium cluster properties.•An open-source code is developed to compute cluster transport…”
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Elastodiffusion calculation of asymptotic absorption efficiences and bias factors of dislocations in Al, Ni and Fe by Huang, Liangzhao, Nastar, Maylise, Messina, Luca, Schuler, Thomas

“…The elastic interactions between dislocations and lattice point defects (PDs) control the rate of PD elimination at dislocations, and thereby the PD spatial…”
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Interaction between vacancies and interstitial solutes (C, N, and O) in α − Fe : From electronic structure to thermodynamics by Barouh, Caroline, Schuler, Thomas, Fu, Chu-Chun, Nastar, Maylise

“…The interplay between vacancies (V) and interstitial solutes X (X = C, N, and 0) and its impact on thermodynamic properties of alpha - Fe solid solutions are…”
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Point defect evolution under irradiation: Finite size effects and spatio-temporal correlations by Martínez, Enrique, Soisson, Frédéric, Nastar, Maylise

“…The evolution of point defect concentrations under irradiation is controlled by their diffusion properties, and by their formation and elimination mechanisms…”
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Atomistic modelling of the diffusion of C in FeCr alloys by Herschberg, Rafael, Fu, Chu-Chun, Nastar, Maylise, Soisson, Frédéric

“…The diffusion of C in FeCr solid solutions is modelled and compared to experimental data. A set of binding energies and migration barriers for C diffusion in…”
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Impact of micro-alloying in ion-irradiated nickel: From the inhibition of point-defect cluster diffusion by thermal segregation to the change of dislocation loop nature by Ma, Kan, Décamps, Brigitte, Huang, Liangzhao, Schäublin, Robin E., Löffler, Jörg F., Fraczkiewicz, Anna, Nastar, Maylise, Prima, Frédéric, Loyer-Prost, Marie

“…Micro-alloying strongly affects the incubation period of void swelling in irradiated face-centered cubic materials. However, the underlying mechanism, which…”
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Equilibrium Vacancy Concentration Driven by Undetectable Impurities by Schuler, Thomas, Barouh, Caroline, Nastar, Maylise, Fu, Chu-Chun

“…By means of ab initio calculations combined to statistical mechanics, we provide new evidence that an experimentally undetectable tiny amount of impurities can…”
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Impact of the local microstructure fluctuations on radiation-induced segregation in dilute Fe-Ni and Ni-Ti model alloys: A combined modeling and experimental analysis by Huang, Liangzhao, Ma, Kan, Belkacemi, Lisa T., Loyer-Prost, Marie, Meslin, Estelle, Toijer, Elin, Messina, Luca, Domain, Christophe, Vidal, Julien, Nastar, Maylise

“…[Display omitted] From a systematic atom probe tomography (APT) characterization of the radiation-induced segregation (RIS) in dilute Fe-Ni and Ni-Ti model…”
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