Exploring the thermodynamic limit of Hamiltonian models: convergence to the Vlasov equation

We here discuss the emergence of Quasi Stationary States (QSS), a universal feature of systems with long-range interactions. With reference to the Hamiltonian Mean Field (HMF) model, numerical simulations are performed based on both the original $N$-body setting and the continuum Vlasov model which is supposed to hold in the thermodynamic limit. A detailed comparison unambiguously demonstrates that the Vlasov-wave system provides the correct framework to address the study of QSS. Further, analytical calculations based on Lynden-Bell's theory of violent relaxation are shown to result in accurate predictions. Finally, in specific regions of parameters space, Vlasov numerical solutions are shown to be affected by small scale fluctuations, a finding that points to the need for novel schemes able to account for particles correlations.Comment: 5 pages, 3 figure

Effect of wetting layers on the strain and electronic structure of InAs self-assembled quantum dots

The effect of wetting layers on the strain and electronic structure of InAs self-assembled quantum dots grown on GaAs is investigated with an atomistic valence-force-field model and an empirical tight-binding model. By comparing a dot with and without a wetting layer, we find that the inclusion of the wetting layer weakens the strain inside the dot by only 1% relative change, while it reduces the energy gap between a confined electron and hole level by as much as 10%. The small change in the strain distribution indicates that strain relaxes only little through the thin wetting layer. The large reduction of the energy gap is attributed to the increase of the confining-potential width rather than the change of the potential height. First-order perturbation calculations or, alternatively, the addition of an InAs disk below the quantum dot confirm this conclusion. The effect of the wetting layer on the wave function is qualitatively different for the weakly confined electron state and the strongly confined hole state. The electron wave function shifts from the buffer to the wetting layer, while the hole shifts from the dot to the wetting layer.Comment: 14 pages, 3 figures, and 3 table

A synthetic-lethality RNAi screen reveals an ERK-mTOR co-targeting pro-apoptotic switch in PIK3CA+ oral cancers.

mTOR inhibition has emerged as a promising strategy for head and neck squamous cell carcinomas (HNSCC) treatment. However, most targeted therapies ultimately develop resistance due to the activation of adaptive survival signaling mechanisms limiting the activity of targeted agents. Thus, co-targeting key adaptive mechanisms may enable more effective cancer cell killing. Here, we performed a synthetic lethality screen using shRNA libraries to identify druggable candidates for combinatorial signal inhibition. We found that the ERK pathway was the most highly represented. Combination of rapamycin with trametinib, a MEK1/2 inhibitor, demonstrated strong synergism in HNSCC-derived cells in vitro and in vivo, including HNSCC cells expressing the HRAS and PIK3CA oncogenes. Interestingly, cleaved caspase-3 was potently induced by the combination therapy in PIK3CA+ cells in vitro and tumor xenografts. Moreover, ectopic expression of PIK3CA mutations into PIK3CA- HNSCC cells sensitized them to the pro-apoptotic activity of the combination therapy. These findings indicate that co-targeting the mTOR/ERK pathways may provide a suitable precision strategy for HNSCC treatment. Moreover, PIK3CA+ HNSCC are particularly prone to undergo apoptosis after mTOR and ERK inhibition, thereby providing a potential biomarker of predictive value for the selection of patients that may benefit from this combination therapy

Identifying magnetic reconnection in 2D Hybrid Vlasov Maxwell simulations with Convolutional Neural Networks

Magnetic reconnection is a fundamental process that quickly releases magnetic energy stored in a plasma.Identifying, from simulation outputs, where reconnection is taking place is non-trivial and, in general, has to be performed by human experts. Hence, it would be valuable if such an identification process could be automated. Here, we demonstrate that a machine learning algorithm can help to identify reconnection in 2D simulations of collisionless plasma turbulence. Using a Hybrid Vlasov Maxwell (HVM) model, a data set containing over 2000 potential reconnection events was generated and subsequently labeled by human experts. We test and compare two machine learning approaches with different configurations on this data set. The best results are obtained with a convolutional neural network (CNN) combined with an 'image cropping' step that zooms in on potential reconnection sites. With this method, more than 70% of reconnection events can be identified correctly. The importance of different physical variables is evaluated by studying how they affect the accuracy of predictions. Finally, we also discuss various possible causes for wrong predictions from the proposed model.Comment: 16 pages, 9 figures and 5 tabel

Phonons and structures of tetracene polymorphs at low temperature and high pressure

Crystals of tetracene have been studied by means of lattice phonon Raman spectroscopy as a function of temperature and pressure. Two different phases (polymorphs I and II) have been obtained, depending on sample preparation and history. Polymorph I is the most frequently grown phase, stable at ambient conditions. A pressure induced phase transition, observed above 1 GPa, leads to polymorph II, which is also obtained at temperatures below 140 K. Polymorph II can also be maintained at ambient conditions. We have calculated the crystallographic structures and phonon frequencies as a function of temperature, starting from the configurations of the energy minima found by exploring the potential energy surface of crystalline tetracene. The spectra calculated for the first and second deepest minima match satisfactorily those measured for polymorphs I and II, respectively. All published x-ray structures, once assigned to the appropriate polymorph, are also reproduced.Comment: 8 pages, 5 figures, RevTeX4, update after referees report

Interwell relaxation times in p-Si/SiGe asymmetric quantum well structures: the role of interface roughness

We report the direct determination of nonradiative lifetimes in Si∕SiGe asymmetric quantum well structures designed to access spatially indirect (diagonal) interwell transitions between heavy-hole ground states, at photon energies below the optical phonon energy. We show both experimentally and theoretically, using a six-band k∙p model and a time-domain rate equation scheme, that, for the interface quality currently achievable experimentally (with an average step height ⩾1 Å), interface roughness will dominate all other scattering processes up to about 200 K. By comparing our results obtained for two different structures we deduce that in this regime both barrier and well widths play an important role in the determination of the carrier lifetime. Comparison with recently published experimental and theoretical data obtained for mid-infrared GaAs∕AlxGa1−xAs multiple quantum well systems leads us to the conclusion that the dominant role of interface roughness scattering at low temperature is a general feature of a wide range of semiconductor heterostructures not limited to IV-IV material

Undamped electrostatic plasma waves

Electrostatic waves in a collision-free unmagnetized plasma of electrons with fixed ions are investigated for electron equilibrium velocity distribution functions that deviate slightly from Maxwellian. Of interest are undamped waves that are the small amplitude limit of nonlinear excitations, such as electron acoustic waves (EAWs). A deviation consisting of a small plateau, a region with zero velocity derivative over a width that is a very small fraction of the electron thermal speed, is shown to give rise to new undamped modes, which here are named {\it corner modes}. The presence of the plateau turns off Landau damping and allows oscillations with phase speeds within the plateau. These undamped waves are obtained in a wide region of the $(k,\omega_{_R})$ plane ($\omega_{_R}$ being the real part of the wave frequency and $k$ the wavenumber), away from the well-known `thumb curve' for Langmuir waves and EAWs based on the Maxwellian. Results of nonlinear Vlasov-Poisson simulations that corroborate the existence of these modes are described. It is also shown that deviations caused by fattening the tail of the distribution shift roots off of the thumb curve toward lower $k$-values and chopping the tail shifts them toward higher $k$-values. In addition, a rule of thumb is obtained for assessing how the existence of a plateau shifts roots off of the thumb curve. Suggestions are made for interpreting experimental observations of electrostatic waves, such as recent ones in nonneutral plasmas.Comment: 11 pages, 10 figure

Dynamical structure factor of a nonlinear Klein-Gordon lattice

The quantum modes of a nonlinear Klein-Gordon lattice have been computed numerically [L. Proville, Phys. Rev. B 71, 104306 (2005)]. The on-site nonlinearity has been found to lead to phonon bound states. In the present paper, we compute numerically the dynamical structure factor so as to simulate the coherent scattering cross section at low temperature. The inelastic contribution is studied as a function of the on-site anharmonicity. Interestingly, our numerical method is not limited to the weak anharmonicity and permits one to study thoroughly the spectra of nonlinear phonons