Buckling in a rotationally invariant spin-elastic model.

Scanning tunneling microscopy experiments have revealed a spontaneous rippled-to-buckled transition in heated graphene sheets, in absence of any mechanical load. Several models relying on a simplified picture of the interaction between elastic and internal, electronic, degrees of freedom have been proposed to understand this phenomenon. Nevertheless, these models are not fully consistent with the classical theory of elasticity, since they do not preserve rotational invariance. Herein, we develop and analyze an alternative classical spin-elastic model that preserves rotational invariance while giving a qualitative account of the rippled-to-buckled transition. By integrating over the internal degrees of freedom, an effective free energy for the elastic modes is derived, which only depends on the curvature. Minimization of this free energy gives rise to the emergence of different mechanical phases, whose thermodynamic stability is thoroughly analyzed, both analytically and numerically. All phases are characterized by a spatially homogeneous curvature, which plays the role of the order parameter for the rippled-to-buckled transition, in both the one- and two-dimensional cases. In the latter, our focus is put on the honeycomb lattice, which is representative of actual graphene.

Driving rapidly while remaining in control: classical shortcuts from Hamiltonian to stochastic dynamics.

Stochastic thermodynamics lays down a broad framework to revisit the venerable concepts of heat, work and entropy production for individual stochastic trajectories of mesoscopic systems. Remarkably, this approach, relying on stochastic equations of motion, introduces time into the description of thermodynamic processes-which opens the way to fine control them. As a result, the field of finite-time thermodynamics of mesoscopic systems has blossomed. In this article, after introducing a few concepts of control for isolated mechanical systems evolving according to deterministic equations of motion, we review the different strategies that have been developed to realize finite-time state-to-state transformations in both over and underdamped regimes, by the proper design of time-dependent control parameters/driving. The systems under study are stochastic, epitomized by a Brownian object immersed in a fluid; they are thus strongly coupled to their environment playing the role of a reservoir. Interestingly, a few of those methods (inverse engineering, counterdiabatic driving, fast-forward) are directly inspired by their counterpart in quantum control. The review also analyzes the control through reservoir engineering. Besides the reachability of a given target state from a known initial state, the question of the optimal path is discussed. Optimality is here defined with respect to a cost function, a subject intimately related to the field of information thermodynamics and the question of speed limit. Another natural extension discussed deals with the connection between arbitrary states or non-equilibrium steady states. This field of control in stochastic thermodynamics enjoys a wealth of applications, ranging from optimal mesoscopic heat engines to population control in biological systems.

Pairing statistics and melting of random DNA oligomers: Finding your partner in superdiverse environments.

Understanding of the pairing statistics in solutions populated by a large number of distinct solute species with mutual interactions is a challenging topic, relevant in modeling the complexity of real biological systems. Here we describe, both experimentally and theoretically, the formation of duplexes in a solution of random-sequence DNA (rsDNA) oligomers of length L = 8, 12, 20 nucleotides. rsDNA solutions are formed by 4L distinct molecular species, leading to a variety of pairing motifs that depend on sequence complementarity and range from strongly bound, fully paired defectless helices to weakly interacting mismatched duplexes. Experiments and theory coherently combine revealing a hybridization statistics characterized by a prevalence of partially defected duplexes, with a distribution of type and number of pairing errors that depends on temperature. We find that despite the enormous multitude of inter-strand interactions, defectless duplexes are formed, involving a fraction up to 15% of the rsDNA chains at the lowest temperatures. Experiments and theory are limited here to equilibrium conditions.

Needles in Haystacks: Understanding the Success of Selective Pairing of Nucleic Acids.

The effectiveness of several biological and biotechnological processes relies on the remarkably selective pairing of nucleic acids in contexts of molecular complexity. Relevant examples are the on-target binding of primers in genomic PCR and the regulatory efficacy of microRNA via binding on the transcriptome. Here, we propose a statistical framework that enables us to describe and understand such selectivity by means of a model that is extremely cheap from a computational point of view. By re-parametrizing the hybridization thermodynamics on three classes of base pairing errors, we find a convenient way to obtain the free energy of pairwise interactions between nucleic acids. We thus evaluate the hybridization statistics of a given oligonucleotide within a large number of competitive sites that we assume to be random, and we compute the probability of on-target binding. We apply our strategy to PCR amplification and microRNA-based gene regulation, shedding new light on their selectivity. In particular, we show the relevance of the defectless pairing of 3' terminals imposed by the polymerase in PCR selection. We also evaluate the selectivity afforded by the microRNA seed region, thus quantifying the extra contributions given by mechanisms beyond pairing statistics.

Taming the Time Evolution in Overdamped Systems: Shortcuts Elaborated from Fast-Forward and Time-Reversed Protocols.

Using a reverse-engineering approach on the time-distorted solution in a reference potential, we work out the external driving potential to be applied to a Brownian system in order to slow or accelerate the dynamics, or even to invert the arrow of time. By welding a direct and time-reversed evolution toward a well chosen common intermediate state, we analytically derive a smooth protocol to connect two arbitrary states in an arbitrarily short amount of time. Not only does the reverse-engineering approach proposed in this Letter contain the current-rather limited-catalog of explicit protocols, but it also provides a systematic strategy to build the connection between arbitrary states with a physically admissible driving. Optimization and further generalizations are also discussed.

Statistical physics of DNA hybridization.

Deoxyribonucleic acid (DNA) hybridization is at the heart of countless biological and biotechnological processes. Its theoretical modeling played a crucial role, since it has enabled extracting the relevant thermodynamic parameters from systematic measurements of DNA melting curves. In this article, we propose a framework based on statistical physics to describe DNA hybridization and melting in an arbitrary mixture of DNA strands. In particular, we are able to analytically derive closed expressions of the system partition functions for any number N of strings and explicitly calculate them in two paradigmatic situations: (i) a system made of self-complementary sequences and (ii) a system comprising two mutually complementary sequences. We derive the melting curve in the thermodynamic limit (N→∞) of our description, which provides a full justification for the extra entropic contribution that in classic hybridization modeling was required to correctly describe within the same framework the melting of sequences either self-complementary or not. We thus provide a thorough study comprising limit cases and alternative approaches showing how our framework can give a comprehensive view of hybridization and melting phenomena.

An ecological approach to structural flexibility in online communication systems.

Human cognitive abilities are limited resources. Today, in the age of cheap information-cheap to produce, to manipulate, to disseminate-this cognitive bottleneck translates into hypercompetition for rewarding outcomes among actors. These incentives push actors to mutualistically interact with specific memes, seeking the virality of their messages. In turn, memes' chances to persist and spread are subject to changes in the communication environment. In spite of all this complexity, here we show that the underlying architecture of empirical actor-meme information ecosystems evolves into recurring emergent patterns. We then propose an ecology-inspired modelling framework, bringing to light the precise mechanisms causing the observed flexible structural reorganisation. The model predicts-and the data confirm-that users' struggle for visibility induces a re-equilibration of the network's mesoscale towards self-similar nested arrangements. Our final microscale insights suggest that flexibility at the structural level is not mirrored at the dynamical one.

Asymmetric stochastic resetting: Modeling catastrophic events.

In the classical stochastic resetting problem, a particle, moving according to some stochastic dynamics, undergoes random interruptions that bring it to a selected domain, and then the process recommences. Hitherto, the resetting mechanism has been introduced as a symmetric reset about the preferred location. However, in nature, there are several instances where a system can only reset from certain directions, e.g., catastrophic events. Motivated by this, we consider a continuous stochastic process on the positive real line. The process is interrupted at random times occurring at a constant rate, and then the former relocates to a value only if the current one exceeds a threshold; otherwise, it follows the trajectory defined by the underlying process without resetting. An approach to obtain the exact nonequilibrium steady state of such systems and the mean first passage time to reach the origin is presented. Furthermore, we obtain the explicit solutions for two different model systems. Some of the classical results found in symmetric resetting, such as the existence of an optimal resetting, are strongly modified. Finally, numerical simulations have been performed to verify the analytical findings, showing an excellent agreement.

Work Fluctuations and Jarzynski Equality in Stochastic Resetting.

We consider the paradigm of an overdamped Brownian particle in a potential well, which is modulated through an external protocol, in the presence of stochastic resetting. Thus, in addition to the short range diffusive motion, the particle also experiences intermittent long jumps that reset the particle back at a preferred location. Due to the modulation of the trap, work is done on the system and we investigate the statistical properties of the work fluctuations. We find that the distribution function of the work typically, in asymptotic times, converges to a universal Gaussian form for any protocol as long as that is also renewed after each resetting event. When observed for a finite time, we show that the system does not generically obey the Jarzynski equality that connects the finite time work fluctuations to the difference in free energy. Nonetheless, we identify herein a restricted set of protocols which embraces the relation. In stark contrast, the Jarzynski equality is always fulfilled when the protocols continue to evolve without being reset. We present a set of exactly solvable models, demonstrate the validation of our theory and carry out numerical simulations to illustrate these findings. Finally, we have pointed out possible realistic implementations for resetting in experiments using the so-called engineered swift equilibration.

Finite-time adiabatic processes: Derivation and speed limit.

Obtaining adiabatic processes that connect equilibrium states in a given time represents a challenge for mesoscopic systems. In this paper, we explicitly show how to build these finite-time adiabatic processes for an overdamped Brownian particle in an arbitrary potential, a system that is relevant at both the conceptual and the practical level. This is achieved by jointly engineering the time evolutions of the binding potential and the fluid temperature. Moreover, we prove that the second principle imposes a speed limit for such adiabatic transformations: there appears a minimum time to connect the initial and final states. This minimum time can be explicitly calculated for a general compression or decompression situation.

Neutral and niche forces as drivers of species selection.

The evolutionary and ecological processes behind the origin of species are among the most fundamental problems in biology. In fact, many theoretical hypothesis on different type of speciation have been proposed. In particular, models of sympatric speciation leading to the formation of new species without geographical isolation, are based on the niche hypothesis: the diversification of the population is induced by the competition for a limited set of available resources. Interestingly, neutral models of evolution have shown that stochastic forces are sufficient to generate coexistence of different species. In this work, we put forward this dichotomy within the context of species formation, studying how neutral and niche forces contribute to sympatric speciation in a model ecosystem. In particular, we study the evolution of a population of individuals with asexual reproduction whose inherited characters or phenotypes are specified by both niche-based and neutral traits. We analyze the stationary state of the dynamics, and study the distribution of individuals in the whole phenotypic space. We show, both numerically and analytically, that there is a non-trivial coupling between neutral and niche forces induced by stochastic effects in the evolution of the population allowing the formation of clusters, that is, species in the phenotypic space. Remarkably, our framework can be generalized also to sexual reproduction or other type of population dynamics.

Optimal work in a harmonic trap with bounded stiffness.

We apply Pontryagin's principle to drive rapidly a trapped overdamped Brownian particle in contact with a thermal bath between two equilibrium states corresponding to different trap stiffness κ. We work out the optimal time dependence κ(t) by minimizing the work performed on the particle under the nonholonomic constraint 0≤κ≤κ_{max}, an experimentally relevant situation. Several important differences arise, as compared with the case of unbounded stiffness that has been analyzed in the literature. First, two arbitrary equilibrium states may not always be connected. Second, depending on the operating time t_{f} and the desired compression ratio κ_{f}/κ_{i}, different types of solutions emerge. Finally, the differences in the minimum value of the work brought about by the bounds may become quite large, which may have a relevant impact on the optimization of heat engines.

Relevance of the Speed and Direction of Pulling in Simple Modular Proteins.

A theoretical framework capable of predicting the first unit that unfolds in pulled modular proteins has been recently introduced, for "fast enough" pulling velocities. Within this picture, we investigate the unfolding pathway in a chain of identical units and predict that the module closest to the pulled end opens first. Steered molecular dynamics of a simple construct, specifically a chain composed of two coiled-coil motives, shows that this is indeed the case. Notwithstanding, the unfolding behavior strongly depends on the terminus (C or N) from which this homopolyprotein is pulled. Therefore, anisotropic features are revealed and seem to play an important role for the observed unfolding pathway.