Solenoidal and potential velocity fields in weakly turbulent premixed flames

Direct Numerical Simulation data obtained earlier from two statistically 1D, planar, fully-developed, weakly turbulent, single-step-chemistry, premixed flames characterized by two significantly different (7.53 and 2.50) density ratios {\sigma} are analyzed to explore the influence of combustion-induced thermal expansion on the turbulence and the backward influence of such flow perturbations on the reaction-zone surface. For this purpose, the simulated velocity fields are decomposed into solenoidal and potential velocity subfields. The approach is justified by the fact that results obtained adopting (i) a widely used orthogonal Helmholtz-Hodge decomposition and (ii) a recently introduced natural decomposition are close in the largest part of the computational domain (including the entire mean flame brushes) except for narrow zones near the inlet and outlet boundaries. The results show that combustion-induced thermal expansion can significantly change turbulent flow of unburned mixture upstream of a premixed flame by generating potential velocity fluctuations. Within the flame brush, the potential and solenoidal velocity fields are negatively (positively) correlated in unburned reactants (burned products, respectively) provided that {\sigma}=7.53. Moreover, correlation between strain rates generated by the solenoidal and potential velocity fields and conditioned to the reaction zone is positive (negative) in the leading (trailing, respectively) halves of the mean flame brushes. Furthermore, the potential strain rate correlates negatively with the curvature of the reaction zone, whereas the solenoidal strain rate and the curvature are negatively (positively) correlated in the leading (trailing, respectively) halves of the mean flame brushes.Comment: The work is accepted for oral presentation at the 38th Symposium (International) on Combustion. arXiv admin note: substantial text overlap with arXiv:2007.0833

MODELING CHAIN PACKING IN COMPLEX PHASES OF SELF-ASSEMBLED BLOCK COPOLYMERS

Block copolymer (BCP) melts undergo microphase seperation and form ordered soft matter crystals with varying domain shapes and symmetries. We study the con- nection between diblock copolymer molecular designs and thermodynamic selection of ordered crystals by modeling features of variable sub-domain geometry filled with individual blocks within non-canonical sphere-like and network phases that together with layered, cylindrical and canonical spherical phases forms “natural forms” of self- assembled amphiphilic soft matter at large. First, we present a model to revise our understanding of optimal Frank-Kasper sphere-like morphologies by advancing the- ory to account for varying domain volumes. We then develop generic approaches to quantify local changes to domain thickness or packing frustration using medial sets and show its application to morphologies with arbitrary domain topologies and sym- metries in both theoretical models and experimental data. We further use medial sets as a proxy for terminal boundaries of blocks within different domains and revise thermodynamic models of BCP assembly in the strong segregation limit. Finally, we use this revised model to study effect of elastic stiffness asymmetry on relaxing packing frustration experienced by BCPs in tubular and matrix domains leading to equilibrium double gyroid network morphology in diblock copolymers

Effects of thermal expansion on moderately intense turbulence in premixed flames

This study aims at analytically and numerically exploring the influence of combustion-induced thermal expansion on turbulence in premixed flames. In the theoretical part, contributions of solenoidal and potential velocity fluctuations to the unclosed component of the advection term in the Reynolds-averaged Navier-Stokes equations are compared, and a new criterion for assessing the importance of the thermal expansion effects is introduced. The criterion highlights a ratio of the dilatation in the laminar flame to the large-scale gradient of root mean square (rms) velocity in the turbulent flame brush. To support the theoretical study, direct numerical simulation (DNS) data obtained earlier from two complex-chemistry, lean H2-air flames are analyzed. In line with the new criterion, even at sufficiently high Karlovitz numbers, the results show significant influence of combustion-induced potential velocity fluctuations on the second moments of the turbulent velocity upstream of and within the flame brush. In particular, the DNS data demonstrate that (i) potential and solenoidal rms velocities are comparable in the unburnt gas close to the leading edge of the flame brush and (ii) potential and solenoidal rms velocities conditioned to unburnt gas are comparable within the entire flame brush. Moreover, combustion-induced thermal expansion affects not only the potential velocity but even the solenoidal one. The latter effects manifest themselves in a negative correlation between solenoidal velocity fluctuations and dilatation or in the counter-gradient behavior of the solenoidal scalar flux. Finally, a turbulence-in-premixed-flame diagram is sketched to discuss the influence of combustion-induced thermal expansion on various ranges of turbulence spectrum

Stable Frank-Kasper phases of self-assembled, soft matter spheres

Single molecular species can self-assemble into Frank Kasper (FK) phases, finite approximants of dodecagonal quasicrystals, defying intuitive notions that thermodynamic ground states are maximally symmetric. FK phases are speculated to emerge as the minimal-distortional packings of space-filling spherical domains, but a precise quantitation of this distortion and how it affects assembly thermodynamics remains ambiguous. We use two complementary approaches to demonstrate that the principles driving FK lattice formation in diblock copolymers emerge directly from the strong-stretching theory of spherical domains, in which minimal inter-block area competes with minimal stretching of space-filling chains. The relative stability of FK lattices is studied first using a diblock foam model with unconstrained particle volumes and shapes, which correctly predicts not only the equilibrium {\sigma} lattice, but also the unequal volumes of the equilibrium domains. We then provide a molecular interpretation for these results via self-consistent field theory, illuminating how molecular stiffness regulates the coupling between intra-domain chain configurations and the asymmetry of local packing. These findings shed new light on the role of volume exchange on the formation of distinct FK phases in copolymers, and suggest a paradigm for formation of FK phases in soft matter systems in which unequal domain volumes are selected by the thermodynamic competition between distinct measures of shape asymmetry.Comment: 40 pages, 22 figure