Generalised Einstein Relation for Hot Brownian Motion

The Brownian motion of a hot nanoparticle is described by an effective Markov theory based on fluctuating hydrodynamics. Its predictions are scrutinized over a wide temperature range using large-scale molecular dynamics simulations of a hot nanoparticle in a Lennard-Jones fluid. The particle positions and momenta are found to be Boltzmann distributed according to distinct effective temperatures $T_\mathrm{HBM}$ and $T_\mathrm{k}$ . For $T_\mathrm{HBM}$ we derive a formally exact theoretical prediction and establish a generalised Einstein relation that links it to directly measurable quantities

Enhanced force-field calibration via machine learning

The influence of microscopic force fields on the motion of Brownian particles plays a fundamental role in a broad range of fields, including soft matter, biophysics, and active matter. Often, the experimental calibration of these force fields relies on the analysis of the trajectories of the Brownian particles. However, such an analysis is not always straightforward, especially if the underlying force fields are non-conservative or time-varying, driving the system out of thermodynamic equilibrium. Here, we introduce a toolbox to calibrate microscopic force fields by analyzing the trajectories of a Brownian particle using machine learning, namely, recurrent neural networks. We demonstrate that this machine-learning approach outperforms standard methods when characterizing the force fields generated by harmonic potentials if the available data are limited. More importantly, it provides a tool to calibrate force fields in situations for which there are no standard methods, such as non-conservative and time-varying force fields. In order to make this method readily available for other users, we provide a Python software package named DeepCalib, which can be easily personalized and optimized for specific force fields and applications. This package is ideal to calibrate complex and non-standard force fields from short trajectories, for which advanced specific methods would need to be developed on a case-by-case basis

Hybrid Algorithms Based on Integer Programming for the Search of Prioritized Test Data in Software Product Lines

In Software Product Lines (SPLs) it is not possible, in general, to test all products of the family. The number of products denoted by a SPL is very high due to the combinatorial explosion of features. For this reason, some coverage criteria have been proposed which try to test at least all feature interactions without the necessity to test all products, e.g., all pairs of features (pairwise coverage). In addition, it is desirable to first test products composed by a set of priority features. This problem is known as the Prioritized Pairwise Test Data Generation Problem. In this work we propose two hybrid algorithms using Integer Programming (IP) to generate a prioritized test suite. The first one is based on an integer linear formulation and the second one is based on a integer quadratic (nonlinear) formulation. We compare these techniques with two state-of-the-art algorithms, the Parallel Prioritized Genetic Solver (PPGS) and a greedy algorithm called prioritized-ICPL. Our study reveals that our hybrid nonlinear approach is clearly the best in both, solution quality and computation time. Moreover, the nonlinear variant (the fastest one) is 27 and 42 times faster than PPGS in the two groups of instances analyzed in this work.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech. Partially funded by the Spanish Ministry of Economy and Competitiveness and FEDER under contract TIN2014-57341-R, the University of Málaga, Andalucía Tech and the Spanish Network TIN2015-71841-REDT (SEBASENet)

Microscopic engine powered by critical demixing

We propose a new type of engine that is powered by the local, reversible demixing of a critical binary liquid. A microscopic particle is optically trapped and performs revolutions due to the emergence of diffusiophoresis. © 2017 OSA

Time resolved photoluminescence anisotropy of CdSe/ZnS nanoparticles in toluene at 300 K

For CdSe nanoparticles it has been theoretically and experimentally shown that at low temperatures the photoluminescence is circularly polarized in accordance with a wurtzite structure and the corresponding allowed optical transitions. In the present Letter, we report on related investigations on CdSe/ZnS colloids in toluene solution. From time resolved photoluminescence anisotropy we conclude that also at room temperature the results are in good agreement with structure and related electronic states as determined from crystals at low temperature. © 2004 Elsevier B.V. All rights reserved

Identification and assignment of porphyrin-CdSe Hetero-nanoassemblies

Hetero-nanoassemblies in toluene solution are formed via anchoring pyridyl substituted free base porphyrin molecules on the colloidal core-shell semiconductor nanocrystals CdSe/ZnS. The formation can be identified via quenching of semiconductor photoluminescence and followed via spectral changes of porphyrin spectral properties such as fluorescence, fluorescence decay and absorption. Interpreting these changes we estimate that even at high molar ratios on average only one molecule is anchored on one nanocrystal. Experimentally determined complexation constants are comparable to those observed for multi-porphyrin complexes. © 2007 Elsevier B.V. All rights reserved

Transient poverty in a sustainable development context

Transient poverty (TP) is a phenomenon that, by its characterisation, references a condition that may not necessarily be permanent. Its occurrence may result from an external shock, such as a severe weather-related event or geographic, national, or global impact on the economy, such as a hurricane, financial crisis, or as most recently, a pandemic. The defining aspects of TP and the needs of those pushed into TP offer an opportunity to address one aspect of poverty, which is of significance given both the disproportionate vulnerability of the poor to external shocks as well as the prohibitive effect of poverty on establishing resilience. Unfortunately, TP is not often assessed and is routinely combined and categorised as ‘poverty’, eliminating an opportunity to address unique aspects of TP and establish policies that may be beneficial to the sub-group. This paper provides a bibliometric evaluation of TP specific to the sustainable development literature, highlighting the research gap and providing a rationale for active research on the social phenomenon regarding the Sustainable Development Goals (SDG) in general and specifically SDG 1: No poverty. There are three key findings relevant to sustainability. Firstly, there seems to be a disconnection between TP and the sustainable development theory, particularly in a multidisciplinary discussion. Secondly, human action in degrading ecosystems strongly influences TP and exacerbates overall poverty levels. Finally, efforts to tackle transient poverty need to consider issues such as gender, education, health, and political aspects. Based on the findings, items for future research are also presented

Energy Transfer from Individual Semiconductor Nanocrystals to Graphene

Energy transfer from photoexcited zero-dimensional systems to metallic systems plays a prominent role in modern day materials science. A situation of particular interest concerns the interaction between a photoexcited dipole and an atomically thin metal. The recent discovery of graphene layers permits investigation of this phenomenon. Here we report a study of fluorescence from individual CdSe/ZnS nanocrystals in contact with single- and few-layer graphene sheets. The rate of energy transfer is determined from the strong quenching of the nanocrystal fluorescence. For single-layer graphene, we find a rate of ~ 4ns-1, in agreement with a model based on the dipole approximation and a tight-binding description of graphene. This rate increases significantly with the number of graphene layers, before approaching the bulk limit. Our study quantifies energy transfer to and fluorescence quenching by graphene, critical properties for novel applications in photovoltaic devices and as a molecular ruler

Universal emission intermittency in quantum dots, nanorods, and nanowires

Virtually all known fluorophores, including semiconductor nanoparticles, nanorods and nanowires exhibit unexplainable episodes of intermittent emission blinking. A most remarkable feature of the fluorescence intermittency is a universal power law distribution of on- and off-times. For nanoparticles the resulting power law extends over an extraordinarily wide dynamic range: nine orders of magnitude in probability density and five to six orders of magnitude in time. The exponents hover about the ubiquitous value of -3/2. Dark states routinely last for tens of seconds, which are practically forever on quantum mechanical time scales. Despite such infinite states of darkness, the dots miraculously recover and start emitting again. Although the underlying mechanism responsible for this phenomenon remains an enduring mystery and many questions remain, we argue that substantial theoretical progress has been made.Comment: 9 pages, 2 figures, Accepted versio

Probing and controlling fluorescence blinking of single semiconductor nanoparticles

In this review we present an overview of the experimental and theoretical development on fluorescence intermittency (blinking) and the roles of electron transfer in semiconductor crystalline nanoparticles. Blinking is a very interesting phenomenon commonly observed in single molecule/particle experiments. Under continuous laser illumination, the fluorescence time trace of these single nanoparticles exhibit random light and dark periods. Since its first observation in the mid-1990s, this intriguing phenomenon has attracted wide attention among researchers from many disciplines. We will first present the historical background of the discovery and the observation of unusual inverse power-law dependence for the waiting time distributions of light and dark periods. Then, we will describe our theoretical modeling efforts to elucidate the causes for the power-law behavior, to probe the roles of electron transfer in blinking, and eventually to control blinking and to achieve complete suppression of the blinking, which is an annoying feature in many applications of quantum dots as light sources and fluorescence labels for biomedical imaging