Concept
Work (thermodynamics)
Publications associées (213)
Intergranular Strain Evolution During Biaxial Loading: A Multiscale FE-FFT Approach
Helena Van Swygenhoven, Steven Van Petegem
Predicting the macroscopic and microscopic mechanical response of metals and alloys subjected to complex loading conditions necessarily requires a synergistic combination of multiscale material models and characterization techniques. This article focuses o ...
Springer2017On the origin of primary 1/2 a(0) and a(0) loops in irradiated Fe(Cr) alloys
Robin Schäublin, Anna Prokhodtseva
The radiation-induced primary dislocation loops in thin foils of ultra-high purity Fe and Fe(Cr) model alloys were investigated using ion irradiation in situ in a TEM. In the '111 mechanism' the induced nanometric loops of type a(0) stem from mutual ...
Pergamon-Elsevier Science Ltd2017Analysis and Design of Metabolic Engineering and Synthetic Biology Strategies using Large Scale Dynamic Models of Metabolism
Vassily Hatzimanikatis, Ljubisa Miskovic, Georgios Fengos
Systematic analysis for the redirection of carbon flux in metabolite-producing microorganisms requires the comprehensive understanding of their complex metabolic processes. The use of large-scale dynamic models of metabolism plays key role in the understan ...
2016Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol
Michele Ceriotti, Mariana Rossi Carvalho, Piero Gasparotto
Molecular crystals often exist in multiple competing polymorphs, showing significantly different physicochemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful form, a real chal ...
2016Analysis and Design of Metabolic Engineering and Synthetic Biology Strategies using Large Scale Dynamic Models of Metabolism
Vassily Hatzimanikatis, Ljubisa Miskovic, Georgios Fengos
Systematic analysis for the redirection of carbon flux in metabolite-producing microorganisms requires the comprehensive understanding of their complex metabolic processes. The use of large-scale dynamic models of metabolism plays key role in the understan ...
2016Ba3MxTi3-xO9 (M = Ir, Rh): A family of 5d/4d-based diluted quantum spin liquids
Henrik Moodysson Rønnow, Paul Gregory Freeman
We report the structural and magnetic properties of the 4d (M = Rh) based and 5d ( M = Ir) based systems Ba3MxTi3-xO9 ( nominally x = 0.5, 1). The studied compositions were found to crystallize in a hexagonal structure with the centrosymmetric space group ...
Amer Physical Soc2016Stresses and displacements in steel-lined pressure tunnels and shafts in anisotropic rock under quasi-static internal water pressure
Anton Schleiss, Alexandre Jean Pachoud
Steel-lined pressure tunnels and shafts are constructed to convey water from reservoirs to hydroelectric power plants. They are multilayer structures made of a steel liner, a cracked backfill concrete layer, a cracked or loosened near-field rock zone and a ...
Springer Wien2016Accessing and predicting the kinetic profiles of homogeneous catalysts from volcano plots
Matthew Wodrich, Michael Markus Busch
Volcano plots are frequently used as aids in the search for new heterogeneous and electrochemical catalysts. These tools successfully predict catalytic processes based solely on thermodynamic descriptions, which also capably describe many aspects of the ca ...
Royal Soc Chemistry2016Determining The Potential Of Salinity Gradient Energy Source Using An Exergy Analysis
Mixing of fresh (river) water and salty water (seawater or saline brine) in a control fashion would produces an electrical energy known as salinity gradient energy (SGE). Two main conversion technologies of SGE are membrane-based processes; pressure retard ...
Amer Soc Mechanical Engineers2016