Stability of the chiral crystal phase and breakdown of the cholesteric phase in mixtures of active-passive chiral rods.

In this study, we aim to explore the effect of chirality on the phase behavior of active helical particles driven by two-temperature scalar activity. We first calculate the equation of state of soft helical particles of various intrinsic chiralities using molecular dynamics (MD) simulation. In equilibrium, the emergence of various liquid crystal (LC) phases such as nematic (N), cholesteric , smectic (Sm) and crystal (K) crucially depends on the presence of walls that induce planar alignment. Next, we introduce activity through the two-temperature model: keep increasing the temperature of half of the helical particles (labeled as 'hot' particles) while maintaining the temperature of the other half at a lower value (labeled as 'cold' particles). Starting from a homogeneous isotropic (I) phase, we find the emergence of 2-TIPS: two temperature-induced phase separations between the hot and cold particles. We also observe that the cold particles undergo an ordering transition to various LC phases even in the absence of a wall. This observation reveals that the hot-cold interface in the active system plays the role of a wall in the equilibrium system by inducing an alignment direction for the cold particles. However, in the case of a cholesteric phase, we observe that activity destabilizes the phase by inducing smectic ordering in the cold zone while an isotropic structure in the hot zone. The smectic ordering in the cold zone eventually transforms to a chiral crystal phase with high enough activity.

Applications of Polymer Electrolytes in Lithium-Ion Batteries: A Review.

Polymer electrolytes, a type of electrolyte used in lithium-ion batteries, combine polymers and ionic salts. Their integration into lithium-ion batteries has resulted in significant advancements in battery technology, including improved safety, increased capacity, and longer cycle life. This review summarizes the mechanisms governing ion transport mechanism, fundamental characteristics, and preparation methods of different types of polymer electrolytes, including solid polymer electrolytes and gel polymer electrolytes. Furthermore, this work explores recent advancements in non-aqueous Li-based battery systems, where polymer electrolytes lead to inherent performance improvements. These battery systems encompass Li-ion polymer batteries, Li-ion solid-state batteries, Li-air batteries, Li-metal batteries, and Li-sulfur batteries. Notably, the advantages of polymer electrolytes extend beyond enhancing safety. This review also highlights the remaining challenges and provides future perspectives, aiming to propose strategies for developing novel polymer electrolytes for high-performance Li-based batteries.

Entropy of different phases formed by soft rods.

The computation of entropy in liquids and liquid crystal (LC) phases is a big challenge in statistical physics. In this work, we extend the two-phase thermodynamic model (2PT) to shape anisotropic soft repulsive spherocylinders (SRSs) and report the absolute values of entropy for different LC phases for a range of aspect ratios L/D = 2 - 5. We calculate the density of states for different LC phases and decompose it into contributions arising from translational and rotational degrees of freedom. The translational and rotational modes are further partitioned into diffusive, gas-like, and non-diffusive, solid-like components using a fluidicity factor. In the dilute limit, the entropy values obtained from the 2PT method match exactly those of an ideal rigid rotor. We find that, for a given packing fraction, the magnitude of the total entropy is roughly equal regardless of the different LC phases associated with different aspect ratios. We also compute the excess entropy (for L/D = 5) and compare those with the values obtained using the standard integration approach of MD or Monte Carlo equation of state of SRS. The values obtained using both approaches match very well. The rotational and translational fluidicity factors are further used to determine the phase boundaries of different LC phases.

Two-temperature activity induces liquid-crystal phases inaccessible in equilibrium.

In equilibrium hard-rod fluids, and in effective hard-rod descriptions of anisotropic soft-particle systems, the transition from the isotropic (I) phase to the nematic phase (N) is observed above the rod aspect ratio L/D=3.70 as predicted by Onsager. We examine the fate of this criterion in a molecular dynamics study of a system of soft repulsive spherocylinders rendered active by coupling half the particles to a heat bath at a higher temperature than that imposed on the other half. We show that the system phase-separates and self-organizes into various liquid-crystalline phases that are not observed in equilibrium for the respective aspect ratios. In particular, we find a nematic phase for L/D=3 and a smectic phase for L/D=2 above a critical activity.

Heteroatom-Doped Metal-Free Carbon Nanomaterials as Potential Electrocatalysts.

In recent years, heteroatom-incorporated specially structured metal-free carbon nanomaterials have drawn huge attention among researchers. In comparison to the undoped carbon nanomaterials, heteroatoms such as nitrogen-, sulphur-, boron-, phosphorous-, etc., incorporated nanomaterials have become well-accepted as potential electrocatalysts in water splitting, supercapacitors and dye-sensitized solar cells. This review puts special emphasis on the most popular synthetic strategies of heteroatom-doped and co-doped metal-free carbon nanomaterials, viz., chemical vapor deposition, pyrolysis, solvothermal process, etc., utilized in last two decades. These specially structured nanomaterials' extensive applications as potential electrocatalysts are taken into consideration in this article. Their comparative enhancement of electrocatalytic performance with incorporation of heteroatoms has also been discussed.

Heating leads to liquid-crystal and crystalline order in a two-temperature active fluid of rods.

We report phase separation and liquid-crystal ordering induced by scalar activity in a system of soft repulsive spherocylinders (SRSs) of shape anisotropy L/D=5 using molecular dynamics (MD) simulations. Activity is introduced by increasing the temperature of half of the SRSs (labeled hot) while maintaining the temperature of the other half constant at a lower value (labeled cold). The difference between the two temperatures scaled by the lower temperature provides a measure of the activity. Starting from different equilibrium initial phases, we find that activity leads to segregation of the hot and cold particles. Activity also drives the cold particles through a phase transition to a more ordered state and the hot particles to a state of less order compared to the initial equilibrium state. The cold components of a homogeneous isotropic structure acquire nematic and, at higher activity, crystalline order. Similarly, the cold zone of a nematic initial state undergoes smectic and crystal ordering above a critical value of activity while the hot component turns isotropic. We find that the hot particles occupy a larger volume and exert an extra kinetic pressure, confining, compressing, and provoking an ordering transition of the cold-particle domains.