Search results for "MECHANICS"

Best Practices in Constant pH MD Simulations: Accuracy and Sampling

2022

Various approaches have been proposed to include the effect of pH in molecular dynamics (MD) simulations. Among these, the λ-dynamics approach proposed by Brooks and co-workers [Kong, X.; Brooks III, C. L. J. Chem. Phys.1996, 105, 2414−2423] can be performed with little computational overhead and hfor each typeence be used to routinely perform MD simulations at microsecond time scales, as shown in the accompanying paper [Aho, N. et al. J. Chem. Theory Comput.2022, DOI: 10.1021/acs.jctc.2c00516]. At such time scales, however, the accuracy of the molecular mechanics force field and the parametrization becomes critical. Here, we address these issues and provide the community with guidelines on…

The stress-strain state and stabilization of viscoelastoplastic, imperfect moving web continuum

2014

On modelling and stability of axially moving viscoelastic materials

2013

Modelling of rotations by using matrix solutions of nonlinear wave equations

2007

A family of matrix solutions of nonlinear wave equations is extended and its application to modelling is given. It is shown that a similarity transformation, induced by the matrix solution, is equivalent to the rotation. Matrix solutions are used for modelling helical motions and vortex rings, simultaneous rotations and particles collision, mapping contraction and pulsating spheres. Geometrical interpretation of the doubling of rotation angle in each step of sequential mapping contraction is given. First Published Online: 14 Oct 2010

Анализ и оптимизация устойчивости балок на сплошном упругом основании часть I (балки конечной длины) [Analysis and optimization of a beam on elastic …

2017

Problems of defining the optimal (against buckling) cross section area distribution for beams interacting with elastic foundation are considered. The stability of limited pinned beams and infinite continuous beams is analyzed. For all beams under consideration, the stability analysis is performed as for constant as for variable distributions of strength beam characteristics. The critical length is determined and the variational statement of beam stability problems is presented for this beam type. The exact solution of optimal problem is presented in the case of linear dependence of limited beam bending hardness on beam cross section area. For the case of squared and cubic dependences, the n…

Анализ и оптимизация устойчивости балок на сплошном упругом основании часть II (бесконечные балки) [Analysis and optimization of a beam on elastic fo…

2017

Problems of defining of optimal (against buckling) cross section area distribution for beams interacting with elastic foundation are considered. The stability of limited pinned beams and infinite continuous beams is analyzed. For all beams under consideration, the stability analysis is performed as for constant as for variable distributions of strength beam characteristics. The critical length is determined and the variational statement of beam stability problems is presented for this beam type. For infinite continuous beams, the stability problems are investigated as for constant as for periodic distribution of strength characteristics. In the second case, the analysis of infinite beam can…

Effect of Stacking Sequence and Sodium Bicarbonate Treatment on Quasi-Static and Dynamic Mechanical Properties of Flax/Jute Epoxy-Based Composites

2019

The present paper deals with the investigation of quasi-static and dynamic mechanical response of epoxy-based composites reinforced with flax and/or jute plain weave fabrics. In order to evaluate the influence of the stacking sequence, two monolithic laminates reinforced with flax or jute fibers and two hybrid flax/jute laminates were manufactured through the vacuum infusion technique. Furthermore, an eco-friendly and cost-effective surface treatment based on fiber soaking in a sodium bicarbonate solution was employed to improve the fiber-matrix adhesion. The mechanical characterization (by means of quasi-static flexural, dynamic mechanical thermal analysis and Charpy impact tests) allowed …

Rhombi-chain Bose-Hubbard model: Geometric frustration and interactions

2018

We explore the effects of geometric frustration within a one-dimensional Bose-Hubbard model using a chain of rhombi subject to a magnetic flux. The competition of tunnelling, self-interaction and magnetic flux gives rise to the emergence of a pair-superfluid (pair-Luttinger liquid) phase besides the more conventional Mott-insulator and superfluid (Luttinger liquid) phases. We compute the complete phase diagram of the model by identifying characteristic properties of the pair-Luttinger liquid phase such as pair correlation functions and structure factors and find that the pair-Luttinger liquid phase is very sensitive to changes away from perfect frustration (half-flux). We provide some propo…

Robustness of asymmetry and coherence of quantum states

2016

Quantum states may exhibit asymmetry with respect to the action of a given group. Such an asymmetry of states can be considered as a resource in applications such as quantum metrology, and it is a concept that encompasses quantum coherence as a special case. We introduce explicitly and study the robustness of asymmetry, a quantifier of asymmetry of states that we prove to have many attractive properties, including efficient numerical computability via semidefinite programming, and an operational interpretation in a channel discrimination context. We also introduce the notion of asymmetry witnesses, whose measurement in a laboratory detects the presence of asymmetry. We prove that properly c…

Random vibration mitigation of beams via tuned mass dampers with spring inertia effects

2019

The dynamics of beams equipped with tuned mass dampers is of considerable interest in engineering applications. Here, the purpose is to introduce a comprehensive framework to address the stochastic response of the system under stationary and non-stationary loads, considering inertia effects along the spring of every tuned mass damper applied to the beam. For this, the key step is to show that a tuned mass damper with spring inertia effects can be reverted to an equivalent external support, whose reaction force on the beam depends only on the deflection of the attachment point. On this basis, a generalized function approach provides closed analytical expressions for frequency and impulse res…