Systematic Bottom-Up Molecular Coarse-Graining via Force Matching using Anisotropic Particles

We derive a systematic and general method for parametrizing coarse-grained molecular models consisting of anisotropic particles from fine-grained (e.g. all-atom) models for condensed-phase molecular dynamics simulations. The method, which we call anisotropic force-matching coarse-graining (AFM-CG), is based on rigorous statistical mechanical principles, enforcing consistency between the coarse-grained and fine-grained phase-space distributions to derive equations for the coarse-grained forces, masses, and moments of inertia in terms of properties of a condensed-phase fine-grained system. We verify the accuracy and efficiency of the method by coarse-graining liquid-state systems of two different anisotropic organic molecules, benzene and perylene, and show that the parametrized coarse-grained models more accurately describe properties of these systems than previous anisotropic coarse-grained models parametrized using other methods that do not account for finite-temperature and many-body effects on the condensed-phase coarse-grained interactions. The AFM-CG method will be useful for developing accurate and efficient dynamical simulation models of condensed-phase systems of molecules consisting of large, rigid, anisotropic fragments, such as nucleic acids, liquid crystals, and organic semiconductors.

Effects of Anisotropy on Strongly Magnetized Neutron and Strange Quark Stars in General Relativity

We investigate the properties of anisotropic, spherically symmetric compact stars, especially neutron stars (NSs) and strange quark stars (SQSs), made of strongly magnetized matter. The NSs are described by the SLy equation of state (EOS) and the SQSs by an EOS based on the MIT Bag model. The stellar models are based on an a priori assumed density dependence of the magnetic field and thus anisotropy. Our study shows that not only the presence of a strong magnetic field and anisotropy, but also the orientation of the magnetic field itself, have an important influence on the physical properties of stars. Two possible magnetic field orientations are considered: a radial orientation where the local magnetic fields point in the radial direction, and a transverse orientation, where the local magnetic fields are perpendicular to the radial direction. Interestingly, we find that for a transverse orientation of the magnetic field, the stars become more massive with increasing anisotropy and magnetic-field strength and increase in size since the repulsive, effective anisotropic force increases in this case. In the case of a radially oriented magnetic field, however, the masses and radii of the stars decrease with increasing magnetic-field strength because of the decreasing effective anisotropic force. Importantly, we also show that in order to achieve hydrostatic equilibrium configurations of magnetized matter, it is essential to account for both the local anisotropy effects as well as the anisotropy effects caused by a strong magnetic field. Otherwise, hydrostatic equilibrium is not achieved for magnetized stellar models.

Metamachines of pluripotent colloids

Machines enabled the Industrial Revolution and are central to modern technological progress: A machine’s parts transmit forces, motion, and energy to one another in a predetermined manner. Today’s engineering frontier, building artificial micromachines that emulate the biological machinery of living organisms, requires faithful assembly and energy consumption at the microscale. Here, we demonstrate the programmable assembly of active particles into autonomous metamachines using optical templates. Metamachines, or machines made of machines, are stable, mobile and autonomous architectures, whose dynamics stems from the geometry. We use the interplay between anisotropic force generation of the active colloids with the control of their orientation by local geometry. This allows autonomous reprogramming of active particles of the metamachines to achieve multiple functions. It permits the modular assembly of metamachines by fusion, reconfiguration of metamachines and, we anticipate, a shift in focus of self-assembly towards active matter and reprogrammable materials.

Study of non-commutative wormhole solutions in f(R,G) gravity

In this paper, we investigate some feasible regions for the existence of wormholes by introducing non-commutative geometry in terms of Gaussian and Lorentzian distributions in [Formula: see text] modified theory of gravity. We explore wormhole solutions by assuming a viable model [Formula: see text], where [Formula: see text] is assumed to be a linear function of Ricci scalar and [Formula: see text] is chosen to be a power law model. For [Formula: see text] model under discussion, we select suitable form of redshift and shape functions, which is necessary for the existence of wormholes. We discuss mainly two types of solutions corresponding to different values of free parameters and obtain numerical results. The stability condition for numerical solutions is discussed via TOV equations and it is proved that gravitational and hydrostatic forces show opposite behavior to anisotropic force and hence cancel each other’s effect, which provides a stable wormhole configuration. By using graphical evolution, it has been found that null energy conditions (NEC) are violated for non-commutative Gaussian and Lorentzian distributions. However, some feasible regions have been found for the existence of wormhole solutions with Gaussian and Lorentzian distributions in the context of [Formula: see text] gravity.

On the dynamics of systems with one-sided non-integrable constraints

In the paper we take the first steps in studying the dynamics of systems with one-sided differential constraints defined by inequalities in the phase space. We give a general definition of motion for systems with such constraints. Within the framework of the classical non-holonomic model, and also for systems with servoconstraints (according to B/eghin), we present the conditions under which the system leaves two-sided differential constraints. As an example, we consider the Chaplygin sleigh with a one-sided constraint, which is realized by means of an anisotropic force of viscous friction. Variational principles for the determination of motion of systems with one-sided differential constraints are presented.