Related papers: Changing the mechanical unfolding pathway of FnIII…
A new unsteady flamelet model is developed to be used for sub-grid modeling and coupling with the resolved flow description for turbulent combustion. Difficulties with prior unsteady flamelet models are identified. The model extends the…
We report on atomistic simulation of the folding of a natively-knotted protein, MJ0366, based on a realistic force field. To the best of our knowledge this is the first reported effort where a realistic force field is used to investigate…
The mechanical unfolding of a simple RNA hairpin and of a 236--bases portion of the Tetrahymena thermophila ribozyme is studied by means of an Ising--like model. Phase diagrams and free energy landscapes are computed exactly and suggest a…
Flows of hard granular materials depend strongly on the interparticle friction coefficient $\mu_p$ and on the inertial number ${\cal I}$, which characterizes proximity to the jamming transition where flow stops. Guided by numerical…
The stability of a $\beta$-sheeted conformation and its transition into a random coil are studied with a 2D lattice biopolymer model. At low temperature and low external force, the polymer folds back and forth on itself and forms a…
The relevance of various residue positions for the stability and the folding characteristics of the prion protein are investigated by using molecular dynamics simulations of models exploiting the topology of the native state. Highly…
We examined theory for force-induced unbinding on a two-dimensional free energy surface where the internal dynamics of biomolecules is coupled with the rupture process under constant tension f. We show that only if the transition state…
The structure of the self-cleaving hairpin ribozyme is well characterized, and its folding has been examined in bulk and by single-molecule fluorescence, establishing the importance of cations, especially magnesium in the stability of the…
We report a hidden density-wave instability in the trimer-based ruthenate Ba4Ru3O10, previously regarded as a pure antiferromagnet with a phase transition at TA=100 K. This transition is manifested in lattice parameters, transport,…
An experimental study of proximity effect in La{0.67}Sr{0.33}MnO3 - YBa2Cu3O7 - La{0.67}Sr{0.33}MnO3 trilayers is reported. Transport measurements on these samples show clear oscillations in critical current (I_c) as the thickness of…
We develop a model and numerical method to study the large-amplitude flutter of rectangular membranes (of zero bending rigidity) that shed a trailing vortex-sheet wake in a three-dimensional (3D) inviscid fluid flow. We apply small initial…
We present an extremely simplified model of multiple-domains polymer stretching in an atomic force microscopy experiment. We portray each module as a binary set of contacts and decompose the system energy into a harmonic term (the…
We study three different experiments that involve dry friction and periodic driving, and which employ both single and many-particle systems. These experimental set-ups, besides providing a playground for investigation of frictional effects,…
Spinons are well-known as the elementary excitations of one-dimensional antiferromagnetic chains, but means to realize spinons in higher dimensions is the subject of intense research. Here, we use resonant x-ray scattering to study the…
In antiferromagnetically coupled superlattices grown on (001) faces of cubic substrates, e.g. based on materials combinations as Co/Cu, Fe/Si, Co/Cr, or Fe/Cr, the magnetic states evolve under competing influence of bilinear and biquadratic…
The photoinduced switching of Fe(II)-based spin-crossover complexes from singlet to quintet takes place at ultrafast time scales. This a priori spin-forbidden transition triggered numerous time-resolved experiments of solvated samples to…
Using first-principles calculations and an atomistic spin model we predict the stabilization of a bilayer triple-Q state in an atomic Mn bilayer on Ir(111) due to interlayer higher-order exchange interactions. Based on density functional…
Effective modulation of magnetic permeability plays a vital role in the development of high-performance inductors. Here, phase-field simulations of hard/soft ferrite composites (BaM/NiZn) clarify how exchange coupling and microstructure…
In this paper, we investigate three-phase eutectic growth during thin-film directional solidification of a model symmetric ternary eutectic alloy. In contrast to two-phase eutectics that have only a single possibility,…
We have studied transport and magnetotransport properties of the heterostructure consisting of the ferroelectric Ba$_{0.8}$Sr$_{0.2}$TiO$_3$ film deposited on the single crystalline manganite LaMnO$_3$. Two-dimensional electron gas arising…