Search results for "Computer simulation"
showing 10 items of 1054 documents
Catastrophic process of coherence degradation
2018
We predict a catastrophic process of coherence degradation characterized by a virtually unlimited spectral broadening of the waves. This effect is described by self-similar solutions of the kinetic equations inherent to the wave turbulence theory.
Active reduction of fluctuations in fourth-order modulation instability
2012
International audience; We experimentally study the fluctuation properties of a scalar fourth-order modulation instability process obtained by pumping a photonic crystal fiber in the normal dispersion region. We observe large wavelength-dependant pulse-to-pulse fluctuations which cannot be significantly reduced by stimulating the process with a single seed. Their reduction requires two seeds slightly detuned from the maximum gain frequency in order to also stimulate the second-order modulation instability process cascaded from the fourth-order one. This concept is validated by experiments and numerical simulations.
Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers: Status and Perspectives
2000
Recent developments that increase the time and distance scales accessible in the simulations of specific polymers are reviewed. Several different techniques are similar in that they replace a model expressed in fully atomistic detail with a coarse-grained model of the same polymer, atomistic → coarse-grained (and beyond!), thereby increasing the time and distance scales accessible within the expenditure of reasonable computational resources. The bridge represented by the right-pointing arrow can be constructed via different procedures, which are reviewed here. The review also considers the status of methods which reverse this arrow, atomistic ← coarse-grained. This “reverse-mapping” recover…
Event-Driven Simulation of the Dynamics of Hard Ellipsoids
2008
We introduce a novel algorithm to perform event-driven simulations of hard rigid bodies of arbitrary shape, that relies on the evaluation of the geometric distance. In the case of a monodisperse system of uniaxial hard ellipsoids,we perform molecular dynamics simulations varying the aspect-ratio X0 and the packing fraction phi. We evaluate the translational Dtrans and the rotational Drot diffusion coefficient and the associated isodiffusivity lines in the phi-X0 plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the Dtrans and Drot isodiffusivity lines. While the self intermediate scattering function exhibits stret…
The Numerical Simulation of Relativistic Fluid Flow with Strong Shocks
2001
In this review we present and analyze the performance of a Go-dunov type method applied to relativistic fluid flow. Our model equations are the corresponding Euler equations for special relativistic hydrodynamics. By choosing an appropriate vector of unknowns, the equations of special relativistic fluid dynamics (RFD) can be written as a hyperbolic system of conservation laws. We give a complete description of the spectral decomposition of the Jacobian matrices associated to the fluxes in each spatial direction, (see (Donat et al., 1998), for details), which is the essential ingredient of the Godunov-type numerical method we propose in this paper. We also review a numerical flux formula tha…
Effect of a Steady Magnetic Field and Imposed Rotation of Vessel on Heat and Mass Transfer in Swirling Recirculating Flows
1999
A simplified theoretical model for the solidification interface shape prediction is introduced and tested. We linearised a coupled hydrodynamic-solidification problem about the state with a flat interface. In such a way we split the problem into a hydrodynamic part with a flat solid-liquid front and a solidification part with a calculated heat flux from the liquid phase. The method allows obvious conclusions on optimum heat conditions near the solidification interface providing its flatness and maximum pulling velocity at the same time. Comparison to the results by FLUENT package showed that the method provides a reasonable accuracy even for a noticeably deformed interface shape. Another pa…
Optical Frequency Combs Generated in Silica Microspheres in the Telecommunication C-, U-, and E-Bands
2021
Optical frequency combs (OFCs) generated in microresonators with whispering gallery modes are demanded for different applications including telecommunications. Extending operating spectral ranges is an important problem for wavelength-division multiplexing systems based on microresonators. We demonstrate experimentally three spectrally separated OFCs in the C-, U-, and E-bands in silica microspheres which, in principle, can be used for telecommunication applications. For qualitative explanation of the OFC generation in the sidebands, we calculated gain coefficients and gain bandwidths for degenerate four-wave mixing (FWM) processes. We also attained a regime when the pump frequency was in t…
IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 2: An introduction to the simulation exercise and ov…
2016
Orally administered drugs are subject to a number of barriers impacting bioavailability (Foral), causing challenges during drug and formulation development. Physiologically-based pharmacokinetic (PBPK) modelling can help during drug and formulation development by providing quantitative predictions through a systems approach. The performance of three available PBPK software packages (GI-Sim, Simcyp®, and GastroPlus™) were evaluated by comparing simulated and observed pharmacokinetic (PK) parameters.Since the availability of input parameters was heterogeneous and highly variable, caution is required when interpreting the results of this exercise. Additionally, this prospective simulation exer…
Oral biopharmaceutics tools – Time for a new initiative – An introduction to the IMI project OrBiTo
2013
OrBiTo is a new European project within the IMI programme in the area of oral biopharmaceutics tools that includes world leading scientists from nine European universities, one regulatory agency, one non-profit research organization, four SMEs together with scientists from twelve pharmaceutical companies. The OrBiTo project will address key gaps in our knowledge of gastrointestinal (GI) drug absorption and deliver a framework for rational application of predictive biopharmaceutics tools for oral drug delivery. This will be achieved through novel prospective investigations to define new methodologies as well as refinement of existing tools. Extensive validation of novel and existing biopharm…
IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 3: Identifying gaps in system parameters by analysin…
2016
Three Physiologically Based Pharmacokinetic software packages (GI-Sim, Simcyp® Simulator, and GastroPlus™) were evaluated as part of the Innovative Medicine Initiative Oral Biopharmaceutics Tools project (OrBiTo) during a blinded “bottom-up” anticipation of human pharmacokinetics. After data analysis of the predicted vs. measured pharmacokinetics parameters, it was found that oral bioavailability (Foral) was underpredicted for compounds with low permeability, suggesting improper estimates of intestinal surface area, colonic absorption and/or lack of intestinal transporter information. Foral was also underpredicted for acidic compounds, suggesting overestimation of impact of ionisation on pe…