Architecture and coevolution of allosteric materials

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Living systems are commonly engineered through an iterative design-build-test process. However, unlike in other engineering disciplines, the systems that synthetic biologists construct are able to evolve. On the one hand, this compromises their long-term s ...

Literature on linear induction motors (LIMs) has proposed several approaches to model the behavior of such devices for different applications. In terms of accuracy and fidelity, field analysis-based models are the most relevant. Closed-form or numerical so ...

Time-domain solutions of Maxwell’s equations in homogeneous and isotropic media are paramount to studying transient or broadband phenomena. However, analytical solutions are generally unavailable for practical applications, while numerical solutions are co ...

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

Purpose: This study aims to evaluate two distinct approaches for fiber radius estimation using diffusion-relaxation MRI data acquired in biomimetic microfiber phantoms that mimic hollow axons. The methods considered are the spherical mean power-law approac ...

Decision-making permeates every aspect of human and societal development, from individuals' daily choices to the complex decisions made by communities and institutions. Central to effective decision-making is the discipline of optimization, which seeks th ...

De novo design of complex protein folds using solely computational means remains a substantial challenge1. Here we use a robust deep learning pipeline to design complex folds and soluble analogues of integral membrane proteins. Unique membrane topologies, ...

Most codes of practice adopt a semi probabilistic design approach for the dimensioning and assessment of structures. Accordingly, structural safety is ensured by performing limit state verifications using design values determined with adequately calibrated ...

A unified numerical framework is presented for the modelling of multiphasic viscoelastic and elastic flows. The rheologies considered range from incompressible Newtonian or Oldroyd-B viscoelastic fluids to Neo-Hookean elastic solids. The model is formulate ...

We propose a mathematical and numerical model for the simulation of the heart function that couples cardiac electrophysiology, active and passive mechanics and hemodynamics, and includes reduced models for cardiac valves and the circulatory system. Our mod ...

An a posteriori error estimator based on an equilibrated flux reconstruction is proposed for defeaturing problems in the context of finite element discretizations. Defeaturing consists in the simplification of a geometry by removing features that are consi ...

Background: Simulating the cardiac function requires the numerical solution of multi-physics and multi-scale mathematical models. This underscores the need for streamlined, accurate, and high-performance computational tools. Despite the dedicated endeavors ...

Self-tracking technologies open new doors to previously unimaginable scenarios. The diagnosis of diseases years in advance, or supporting the health of astronauts on missions to Mars are just some of many example applications. During the COVID-19 pandemic, ...

Induced seismicity caused by anthropogenic modification of the subsurface effective stress state has been observed in a number of industrial applications -- from hydrocarbon extraction (e.g., Groningen [1]), drilling waste-water disposal (e.g., [2]) to the ...

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Nowadays materials to protect equipment from unwanted multispectral electromagnetic waves are needed in a broad range of applications including electronics, medical, military and aerospace. However, the shielding materials currently in use are bulky and wo ...

For the first time, a real-time capable NBI code, which has a comparable fidelity to the much more computationally expensive Monte Carlo codes such as NUBEAM, has been coupled to the discharge control system of a tokamak. This implementation has been done ...

The immobilization of molecular catalysts imposes spatial constraints on their active site. We reveal that in bifunctional catalysis such constraints can also be utilized as an appealing handle to boost intrinsic activity through judicious control of the a ...

Isogeometric analysis (IGA) was introduced to integrate methods for analysis and computer-aided design (CAD) into a unified process. High-quality parameterization of a physical domain plays a crucial role in IGA. However, obtaining high-quality parameteriz ...

Small-scale turbomachinery is increasingly used in carbon-free energy conversion systems, such as commercial or domestic scale heat pumps, fuels cells for transportation and waste heat recovery. The usage of aerodynamic bearings allows the design of compac ...

Architecture and coevolution of allosteric materials

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Light-directed evolution of dynamic biological systems

Pseudo-Three-Dimensional Analytical Model of Linear Induction Motors for High-Speed Applications

The time-domain Cartesian multipole expansion of electromagnetic fields

Efficient and insightful descriptors for representing molecular and material space

Pore size estimation in axon-mimicking microfibers with diffusion-relaxation MRI

Reliable data-driven decision-making through optimal transport

Computational design of soluble and functional membrane protein analogues

Influence of model uncertainty and long term deformations in action effects calculation in reinforced concrete structures

Numerical simulation of immiscible incompressible viscous, viscoelastic and elastic multiphase flows

A mathematical model that integrates cardiac electrophysiology, mechanics, and fluid dynamics: Application to the human left heart

An equilibrated flux a posteriori error estimator for defeaturing problems

lifex-ep: a robust and efficient software for cardiac electrophysiology simulations

Designing self-tracking experiences: A qualitative study of the perceptions of barriers and facilitators to adopting digital health technology for automatic urine analysis at home

A fully-coupled highly-parallelized geomechanical simulator for assessing induced seismicity

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Numerical Study of the Optical Response of ITO-In2O3 Core-Shell Nanocrystals for Multispectral Electromagnetic Shielding

Real-time implementation of the high-fidelity NBI code RABBIT into the discharge control system of ASDEX Upgrade

Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts

TCB-spline-based isogeometric analysis method with high-quality parameterizations

Numerical and experimental investigation of spiral-grooved gas journal bearings