Publications related to Coupling molecular dynamics with finite elements. Projective methods issues at finite temperature

On the establishment of thermal diffusion in binary Lennard-Jones liquids

The establishment of thermal diffusion in an Ar-Kr Lennard-Jones mixture is investigated via dynamical non equilibrium molecular dynamics [G. Ciccotti, G. Jacucci, Phys. Rev. Lett. 35, 789 (1975)]. We observe, in particular, the evolution of the density an ...

Springer Heidelberg2016

The roles of coupling and the deviation matrix in determining the value of capacity in M/M/1/C queues

Sophie Myriam Hautphenne

In an M/M/1/C queue, customers are lost when they arrive to find C customers already present. Assuming that each arriving customer brings a certain amount of revenue, we are interested in calculating the value of an extra waiting place in terms of the expe ...

Springer Verlag2016

Thermal Boundary Conductance: A Materials Science Perspective

Christian Monachon, Ludger Weber

The thermal boundary conductance (TBC) of materials pairs in atomically intimate contact is reviewed as a practical guide for materials scientists. First, analytical and computational models of TBC are reviewed. Five measurement methods are then compared i ...

Annual Reviews2016

Dissipation engineering of high-stress silicon nitride nanobeams

Tobias Kippenberg, Dalziel Joseph Wilson, Amir Hossein Ghadimi

High-stress Si

_3

N

_4

nanoresonators have become an attractive choice for electro- and optomechanical devices. Membrane resonators can achieve quality factor (

Q

) - frequency (

f

) products exceeding

10^{13}

Hz, enabling (in principle) quantum coheren ...

2016

Heat transfer monitoring between quenched high-temperature superconducting coated conductors and liquid nitrogen

Daniele Colangelo, Bertrand Dutoit

High-temperature superconducting coated conductors (HTS-CCs) are good candidates for resistive superconducting fault current limiter (RSFCL) applications. However, the high current density they can carry and their low thermal diffusivity expose them to the ...

2015

Micromachined Calibration Chip with Heat Source and Temperature Sensors for Scanning Thermal Metrology (SThM)

Danick Briand, Herbert Shea, Etienne Pierre Lemaire, Thi-Vong Nguyen

The monitoring of heat flux is becoming more and more critical for many technologies approaching nanometric dimensions. Scanning Thermal Microscopy (SThM) is one of the tools available for thermal measurement at the nanoscale. This measurement technics nee ...

Elsevier2015

Cross-Coupling of Nonactivated Primary and Secondary Alkyl Halides with Aryl Grignard Reagents Catalyzed by Chiral Iron Pincer Complexes

Xile Hu, Gerald Bauer, Chi Wai Cheung

Iron(III) bisoxazolinylphenylamido (bopa) pincer complexes are efficient precatalysts for the cross-coupling of nonactivated primary and secondary alkyl halides with phenyl Grignard reagents. The reactions proceed at room temperature in moderate to excelle ...

Georg Thieme Verlag2015

Synthesis and structure-activity studies of well-defined nickel complexes as catalysts for cross coupling of alkyl electrophiles

Pablo Marcelo Perez Garcia

This dissertation is devoted to the development of well-defined nickel complexes as catalysts for cross coupling processes of alkyl electrophiles. In chapter one, we summarize recent cross coupling methodologies of alkyl electrophiles using nickel based ca ...

EPFL2015

A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems

Jean-François Molinari, Guillaume Anciaux, Srinivasa Babu Ramisetti

We present a novel method to couple molecular dynamics with finite elements at finite temperatures using spatial filters. The mismatch in the dispersion relations between continuum and atomistic models leads, at finite temperature, to unwanted mesh vibrati ...

Wiley-Blackwell2014

The effect of bias in gas temperature measurements on the control of a Solid Oxide Fuel Cells system

Daniel Favrat, Jan Van Herle, Leonidas Tsikonis, Joel Albrektsson

In this paper the effect of systematic errors in gas temperature measurements on the thermal control of a Solid Oxide Fuel Cell system is demonstrated. Three control schemes were tested under two different conditions. First, the real gas temperature at the ...

Elsevier Science Bv2014

Coupling molecular dynamics with finite elements. Projective methods issues at finite temperature

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On the establishment of thermal diffusion in binary Lennard-Jones liquids

The roles of coupling and the deviation matrix in determining the value of capacity in M/M/1/C queues

Thermal Boundary Conductance: A Materials Science Perspective

Dissipation engineering of high-stress silicon nitride nanobeams

Heat transfer monitoring between quenched high-temperature superconducting coated conductors and liquid nitrogen

Micromachined Calibration Chip with Heat Source and Temperature Sensors for Scanning Thermal Metrology (SThM)

Cross-Coupling of Nonactivated Primary and Secondary Alkyl Halides with Aryl Grignard Reagents Catalyzed by Chiral Iron Pincer Complexes

Synthesis and structure-activity studies of well-defined nickel complexes as catalysts for cross coupling of alkyl electrophiles

A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems

The effect of bias in gas temperature measurements on the control of a Solid Oxide Fuel Cells system

Micromachined Calibration Chip with Heat Source and Temperature Sensors for Scanning Thermal Metrology (SThM)

Dissipation engineering of high-stress silicon nitride nanobeams

Synthesis and structure-activity studies of well-defined nickel complexes as catalysts for cross coupling of alkyl electrophiles

Heat transfer monitoring between quenched high-temperature superconducting coated conductors and liquid nitrogen

A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems

Thermal Boundary Conductance: A Materials Science Perspective

On the establishment of thermal diffusion in binary Lennard-Jones liquids

The roles of coupling and the deviation matrix in determining the value of capacity in M/M/1/C queues

Cross-Coupling of Nonactivated Primary and Secondary Alkyl Halides with Aryl Grignard Reagents Catalyzed by Chiral Iron Pincer Complexes

The effect of bias in gas temperature measurements on the control of a Solid Oxide Fuel Cells system