Time-resolved experiments are powerful and information rich, but are difficult to integrate with MD simulations The dynamic duo, Carl G. Henning Hansen and Simone Orioli, developed a version of Bayesian-Maximum Entropy reweighting that uses time-dependent priors from low-dimensional representations of MD simulations The key idea is that one of the most easily accessible pieces of information from experiments is the timescale, and so we argue that simulations are better used to interpret mechanisms than to predict timescales We demonstrate tr-BME using tr-SAXS experiments but the method is general. We model the dynamics as diffusive motions on a free-energy landscape, which enables us to model the dynamics of processes much slower than those accessible to direct simulations https://lnkd.in/dxauWCBS
Kresten Lindorff-Larsen’s Post
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The ImageIR 9800 from InfraTec GmbH Infrarotsensorik und Messtechnik is ideal for high-resolution thermal imaging measurements on highly dynamic processes, even at low target temperatures. The radiometrically calibrated thermal imaging camera operates in the long-wavelength atmospheric window from 7.7 to 12.5 μm. Thanks to a cooled focal plane array photon detector with 1,280×1,024 IR pixels and a pitch of 12 μm, it delivers sharp images and distortion-free sequences even with short integration times or low radiation intensities. The camera supports full-frame recordings at frame rates of up to 180 Hz. www.infraTec.de
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High-order methods take a lot from you, but every now and then, they give something back! In this work we extended the Spectral Difference scheme to the diffused-interface five equation model for simulating two-phase compressible flows. https://lnkd.in/dGvd2dcH Next stop: Large-Eddy Simulations of compressible two-phase flows using high-order spectral element methods!
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FaustKeinz shared a Geometry Nodes and simulation experiment combining a melting object effect with object-controlled fire, testing partial melting at specific times and locations, similar to scenes where only part of a character dissolves before the rest follows. 🔥 See more: https://lnkd.in/egcWd8Px
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Smart update from Creonic: Doppler Channel IP core now supports L, S, C, X, Ku, and Ka bands, offering simulation across all major satellite ranges. It also extends its sampling frequency range from 50 kSps to 500 Gsps, bringing flexibility from low-rate to ultra-high-rate contexts. This means more realism in satellite link modeling and a tool better suited to next-generation systems. 👉 Read more: https://lnkd.in/eCFdYTrc 👉 Which frequency band or sampling rate matters most in your designs?
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Have you ever wondered why the orientation of a lens is important? Manufacturers' catalogs often give precise instructions on how lenses should be oriented without explaining why. Refraction reveals why... I'm sharing my Geogebra simulation which illustrates how a collimated beam is better focused if a monolithic lens is used in the correct direction. The link for anyone interested in playing with the simulation is this: https://lnkd.in/gVpgq4T8
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💡 What really happens in just ONE step of an MD Simulation? This post continues from my previous one on Forcefields. Now, let’s break down how forcefields actually drive the motion of atoms ⬇️ Step 1️⃣: Forcefield → Calculate Potential Energy Step 2️⃣: From energy → Derive Forces (–∇E) Step 3️⃣: Newton’s Law → Acceleration → Velocity → New positions Repeat again… and again… until you get an MD trajectory of sufficient timescale! ⚡ The entire accuracy of MD depends on the Forcefield. Because wrong energy → wrong forces → wrong trajectory. 👉 In this carousel, I explain the flow with simple steps (no black box anymore). 🔗 Link to the earlier Forcefield basics post is in comments. ✨ Follow me for more simple, visual posts on Molecular Docking & MD Simulations.
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📘 "Product Illustrated - Handheld Acoustic Imaging Instrument" Vibration noise is an important early sign of equipment failure 😦 . The image below shows the detection of vibration noise in a power station reactor using an acoustic imaging device. 😀
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There are not many CFD tools on the market that enable you to seamlessly run 🥅 finite volume and 💦 smoothed-particle hydrodynamics SPH from within the same simulation environment. And while we are not the first SPH code on the market admittedly, we are forging ahead to bring more and more SPH capabilities into our flagship CFD product. This enables SPH users to leverage all the benefits of Simcenter STAR-CCM+ as a comprehensive multiphysics CFD platform, and Simcenter STAR-CCM+ users to benefit from SPH technology. As a next milestone, Simcenter STAR-CCM+ 2510 will introduce local particle refinement for SPH for more efficient fidelity. So ultimately, I will no longer have to make a weird distinction between SPH users and Simcenter STAR-CCM+ users! ;-) Want to find out more about this and other recent advancements in SPH? Check out Laura Trappolini latest blog on SPH 🌠 https://lnkd.in/ebkmkf6d #simcenter #cfd #sph
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