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Surface coatings are becoming an integral part of materials. In recent years, molecular coatings have found larger acceptance and uses. Among them, self-assembled monolayers (SAMs) are attractive due to their inherent versatility, manufacturability, and sc ...
Earth's core is essentially composed of a light-element bearing iron-nickel alloy (Birch 1964). The nickel content in the core has negligible effects on physical properties such as density and compressibility (e.g., Lin et al. 2003; Kantor et al. 2007; Mar ...
Metal cations often play an important role in shaping the three-dimensional structure of peptides. As an example, the model system AcPheAla5LysH+ is investigated in order to fully understand the forces that stabilize its helical structure. In particular, t ...
The time reversal invariance of classical dynamics is reconsidered in this paper with specific focus on its consequences for time correlation functions and associated properties such as transport coefficients. We show that, under fairly common assumptions ...
N-nitrosamines (NOAs) are potent carcinogenic and mutagenic compounds that can be present in water, biological fluids, food, consumer products and cigarette smoke. Several studies have shown that the formation of NOAs in water can arise from the reactions ...
This article aims to clarify the epistemological foundations of the Freudian energetics model, starting with a historical review of the 19th century scientific context in which Freud's research lay down its roots. Beyond the physiological and anatomical re ...
We consider a gas of fermions at zero temperature and low density, interacting via a microscopic two-body potential which admits a bound state. The particles are confined to a domain with Dirichlet boundary conditions. Starting from the microscopic BCS the ...
Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and second derivati ...
In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such simulations can ...
Three-dimensional thermo-mechanical stress analysis of composite joints with bi-adhesive bonding is presented using the full layerwise theory. Based on three-dimensional elasticity theory, sets of fully coupled governing differential equations are derived ...