On measured activation volumes as relevant to ratcheting or cyclic creep

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Analysis and Removal of Product Gas Contaminants Present in Gasification Processes

Energy demand and economic development are intrinsically linked. Earlier economic development came at the price of serious environmental pollution, posing a risk to life on earth. Thus, a transition from fossil to renewable energy is needed. Among the rene ...

EPFL2017

Data-Interpretation methodologies for Non-Linear Earthquake Response Predictions of Damaged Structures

Ian Smith, Pierino Lestuzzi, Yves Sylvain Gilles Reuland

Seismic exposure of buildings presents difficult engineering challenges. The principles of seismic design involve structures that sustain damage and still protect inhabitants. Precise and accurate knowledge of the residual capacity of damaged structures is ...

2017

Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane

Berend Smit

The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy ...

American Chemical Society2016

Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111)

In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translation ...

Amer Inst Physics2016

Surface Reaction Kinetics of Titanium Isopropoxide and Water in Atomic Layer Deposition

Patrik Willi Hoffmann, Yury Kuzminykh, Michael Oliver Reinke

In atomic layer deposition processes (ALD), surface reactions of adsorbed precursor species lead to the formation of thin films. In order to achieve a well-controlled, self-limiting process, the substrate is sequentially exposed to different precursor mole ...

American Chemical Society2016

Iterative structural identification framework for evaluation of existing structures

Ian Smith, Romain Pasquier

Evaluation of aging infrastructure has been a world-wide concern for decades due to its economic, ecological and societal importance. Existing structures usually have large amounts of unknown reserve capacity that may be evaluated though structural identif ...

2016

Studies of Sensor Data Interpretation for Asset Management of the Built Environment

Ian Smith

Sensing in the built environment has the potential to reduce asset management expenditure and contribute to extending useful service life. In the built environment, measurements are usually performed indirectly; effects are measured remote from their cause ...

2016

Atomistic Simulations of Silicate Species Interaction with Portlandite Surfaces

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed

Portlandite (Ca(OH)(2), CH) is the second most abundant hydrate formed in the reaction of Portland cement with water, making it an important component in the built environment. Formation of CH is closely linked to the growth of the main hydrate phase, calc ...

American Chemical Society2016

High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas

Berend Smit, Efrem Daniel Braun, Sondre Kvalvag Schnell

With the growth of natural gas as an energy source, upgrading CO2-contaminated supplies has become increasingly important. Here we develop a single metric that captures how well an adsorbent performs the separation of CH4 and CO2, and we then use this metr ...

Royal Soc Chemistry2016

Atomic Scale Observation of Chemical and Electronic Properties of Metal-Oxide Surfaces

Christian Alexander Stephan Dette

To meet the future global energy demand - an estimated additional 10 terawatts (TWs) per year in 2050 - a diversification of energy sources and fuels is needed. Solar energy represents a prominent alternative energy source. An important material for these ...

EPFL2016

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