Schiltz-Rouse, E., Row, H., & Mallory, S. A. (2023). Kinetic temperature and pressure of an active Tonks gas. Physical Review E, 108(6), 064601.

Using computer simulation and analytical theory, we study an active analog of the well-known Tonks gas, where active Brownian particles are confined to a periodic one-dimensional (1D) channel. By introducing the notion of a kinetic temperature, we derive an accurate analytical expression for the pressure and clarify the paradoxical behavior where active Brownian particles confined to 1D exhibit anomalous clustering but no motility-induced phase transition. More generally, this work provides a deeper understanding of pressure in active systems as we uncover a unique link between the kinetic temperature and swim pressure valid for active Brownian particles in higher dimensions.

Omar, A. K., Row, H., Mallory, S. A., & Brady, J. F. (2023). Mechanical theory of nonequilibrium coexistence and motility-induced phase separation. Proceedings of the National Academy of Sciences, 120(18), e2219900120.

Nonequilibrium phase transitions are routinely observed in both natural and synthetic systems. The ubiquity of these transitions highlights the conspicuous absence of a general theory of phase coexistence that is broadly applicable to both nonequilibrium and equilibrium systems. Here, we present a general mechanical theory for phase separation rooted in ideas explored nearly a half-century ago in the study of inhomogeneous fluids. The core idea is that the mechanical forces within the interface separating two coexisting phases uniquely determine coexistence criteria, regardless of whether a system is in equilibrium or not. We demonstrate the power and utility of this theory by applying it to active Brownian particles, predicting a quantitative phase diagram for motility-induced phase separation in both two and three dimensions. This formulation additionally allows for the prediction of novel interfacial phenomena, such as an increasing interface width while moving deeper into the two-phase region, a uniquely nonequilibrium effect confirmed by computer simulations. The self-consistent determination of bulk phase behavior and interfacial phenomena offered by this mechanical perspective provide a concrete path forward toward a general theory for nonequilibrium phase transitions.

Mallory, S. A., Omar, A. K., & Brady, J. F. (2021). Dynamic overlap concentration scale of active colloids. Physical Review E, 104(4), 044612.

By introducing the notion of a dynamic overlap concentration scale, we identify universal and previously unreported features of the mechanical properties of active colloids. These features are codified by recognizing that the characteristic length scale of an active particle’s trajectory, the run-length, introduces a new concentration scale φ* . Large-scale simulations of repulsive active Brownian particles (ABPs) confirm that this new run-length dependent concentration, which is the trajectory-space analogue of the overlap concentration in polymer solutions, delineates distinct concentration regimes in which interparticle collisions alter particle trajectories …

Dulaney, A. R., Mallory, S. A., & Brady, J. F.
2021 - The Journal of Chemical Physics, 154(1), 014902.

We demonstrate that the mechanically-defined "isothermal" compressibility behaves as a thermodynamic-like response function for suspensions of active Brownian particles. The compressibility computed from the active pressure - a combination of the collision and unique swim pressures - is capable of predicting the critical point for motility induced phase separation, as expected from the mechanical stability criterion …

Mallory, S. A., Bowers, M. L., & Cacciuto, A.
2020 - The Journal of Chemical Physics, 153(8), 084901.

Colloids that interact via a short-range attraction serve as the primary building blocks for a broad range of self-assembled materials. However, one of the well-known drawbacks to this strategy is that these building blocks rapidly and readily condense into a metastable colloidal gel. Using computer simulations, we illustrate how the addition of a small fraction of purely repulsive self-propelled colloids, a technique referred to as active doping, can prevent the formation of this metastable gel state and drive the system toward its thermodynamically favored crystalline target structure …

Mallory, S. A., & Cacciuto, A.
2019 - Journal of the American Chemical Society, 141(6), 2500-2507.

Here, we describe a method for the enhanced self-assembly of triblock Janus colloids targeted to form a kagome lattice. Using computer simulations, we demonstrate that the formation of this elusive structure can be significantly improved by self-propelling or activating the colloids along the axis connecting their hydrophobic hemispheres. The process by which metastable aggregates are destabilized and transformed into the favored kagome lattice is quite general, and we argue this active approach provides a systematic pathway to improving the self-assembly of a large number of colloidal structures …

Mallory, S. A., Valeriani, C., & Cacciuto, A.
2018 - Annual review of physical chemistry, 69, 59-79.

In this review, we discuss recent advances in the self-assembly of selfpropelled colloidal particles and highlight some of the most exciting results in this field, with a specific focus on dry active matter. We explore this phenomenology through the lens of the complexity of the colloidal building blocks. We begin by considering the behavior of isotropic spherical particles. We then discuss the case of amphiphilic and dipolar Janus particles …

Mallory, S. A., Alarcon, F., Cacciuto, A., & Valeriani, C.
2017 - New Journal of Physics, 19(12), 125014.

In this article, we study the phenomenology of a two dimensional dilute suspension of active amphiphilic Janus particles. We analyze how the morphology of the aggregates emerging from their self-assembly depends on the strength and the direction of the active forces. We systematically explore and contrast the phenomenologies resulting from particles with a range of attractive patch coverages …

Chambers, M.*, Mallory, S. A.*, Malone, H., Gao, Y., Anthony, S. M., Yi, Y., Cacciuto, A., & Yu, Y.
2016 - Soft matter, 12(45), 9151-9157.

Amphiphilic Janus particles self-assemble into complex metastructures, but little is known about how their assembly might be modified by weak interactions with a nearby biological membrane surface. Here, we report an integrated experimental and molecular dynamics simulation study to investigate the self-assembly of amphiphilic Janus particles on a lipid membrane. We created an experimental system in which Janus particles are allowed to self-assemble in the same medium where zwitterionic lipids form giant unilamellar vesicles (GUVs) …

Mallory, S. A., & Cacciuto, A.
2016 - Physical Review E, 94(2), 022607.

We outline a basic strategy of how self-propulsion can be used to improve the yield of a typical colloidal self-assembly process. The success of this approach is predicated on the thoughtful design of the colloidal building block as well as how self-propulsion is endowed to the particle. As long as a set of criteria are satisfied, it is possible to significantly increase the rate of self-assembly, and greatly expand the window in parameter space where self-assembly can occur …

Mallory, S. A., Valeriani, C., & Cacciuto, A.
2015 - Physical Review E, 92(1), 012314.

Using numerical simulations, we characterized the behavior of an elastic membrane immersed in an active fluid. Our findings reveal a nontrivial folding and re-expansion of the membrane that is controlled by the interplay of its resistance to bending and the self-propulsion strength of the active components in solution. We show how flexible membranes tend to collapse into multifolded states, whereas stiff membranes fluctuate between an extended configuration and a singly folded state …

Harder, J.*, Mallory, S. A.*, Tung, C.*, Valeriani, C., & Cacciuto, A.
2014 - The Journal of chemical physics, 141(19), 194901.

Using numerical simulations, we study how a solution of small active disks, acting as depletants, induces effective interactions on large passive colloids. Specifically, we analyze how the range, strength, and sign of these interactions are crucially dependent on the shape of the colloids. Our findings indicate that while colloidal rods experience a long-ranged predominantly attractive interaction, colloidal disks feel a repulsive force that is short-ranged in nature and grows in strength with the size ratio between the colloids and active depletants …

Mallory, S. A., Valeriani, C., & Cacciuto, A.
2014 - Physical Review E, 90(3), 032309.

We use numerical simulations to study the motion of a large asymmetric tracer immersed in a low-density suspension of self-propelled particles in two dimensions. Specifically, we analyze how the curvature of the tracer affects its translational and rotational motion in an active environment. We find that even very small amounts of curvature are sufficient for the active bath to impart directed motion to the tracer, which results in its effective activation. We propose simple scaling arguments to characterize this induced activity in terms of the curvature of the tracer and the strength of the self-propelling force …

Mallory, S. A., Šarić, A., Valeriani, C., & Cacciuto, A.
2014 - Physical Review E, 89(5), 052303.

We use numerical simulations to compute the equation of state of a suspension of spherical self-propelled nanoparticles in two and three dimensions. We study in detail the effect of excluded volume interactions and confinement as a function of the system's temperature, concentration, and strength of the propulsion. We find a striking nonmonotonic dependence of the pressure on the temperature and provide simple scaling arguments to predict and explain the occurrence of such anomalous behavior …