A molecular dynamics computer simulation study of room-temperature ionic liquids. I. Equilibrium solvation structure and free energetics

Solvation in 1-ethyl-3-methylmidazolium chloride and in 1-ethyl-3-methylimidazolium hexafluorophosphate near equilibrium is investigated via molecular dynamics computer simulations with diatomic and benzenelike molecules employed as probe solutes. It is found that electrostriction plays an important role in both solvation structure and free energetics. The angular and radial distributions of cations and anions become more structured and their densities near the solute become enhanced as the solute charge separation grows. Due to the enhancement in structural rigidity induced by electrostriction, the force constant associated with solvent configuration fluctuations relevant to charge shift and transfer processes is also found to increase. The effective polarity and reorganization free energies of these ionic liquids are analyzed and compared with those of highly polar acetonitrile. Their screening behavior of electric charges is also investigated.Comment: 12 page

Analytic study of the urn model for separation of sand

We present an analytic study of the urn model for separation of sand recently introduced by Lipowski and Droz (Phys. Rev. E 65, 031307 (2002)). We solve analytically the master equation and the first-passage problem. The analytic results confirm the numerical results obtained by Lipowski and Droz. We find that the stationary probability distribution and the shortest one among the characteristic times are governed by the same free energy. We also analytically derive the form of the critical probability distribution on the critical line, which supports their results obtained by numerically calculating Binder cumulants (cond-mat/0201472).Comment: 6 pages including 3 figures, RevTe

Chaotic exploration and learning of locomotion behaviours

We present a general and fully dynamic neural system, which exploits intrinsic chaotic dynamics, for the real-time goal-directed exploration and learning of the possible locomotion patterns of an articulated robot of an arbitrary morphology in an unknown environment. The controller is modeled as a network of neural oscillators that are initially coupled only through physical embodiment, and goal-directed exploration of coordinated motor patterns is achieved by chaotic search using adaptive bifurcation. The phase space of the indirectly coupled neural-body-environment system contains multiple transient or permanent self-organized dynamics, each of which is a candidate for a locomotion behavior. The adaptive bifurcation enables the system orbit to wander through various phase-coordinated states, using its intrinsic chaotic dynamics as a driving force, and stabilizes on to one of the states matching the given goal criteria. In order to improve the sustainability of useful transient patterns, sensory homeostasis has been introduced, which results in an increased diversity of motor outputs, thus achieving multiscale exploration. A rhythmic pattern discovered by this process is memorized and sustained by changing the wiring between initially disconnected oscillators using an adaptive synchronization method. Our results show that the novel neurorobotic system is able to create and learn multiple locomotion behaviors for a wide range of body configurations and physical environments and can readapt in realtime after sustaining damage

X-ray absorption branching ratio in actinides: LDA+DMFT approach

To investigate the x-ray absorption (XAS) branching ratio from the core 4d to valence 5f states, we set up a theoretical framework by using a combination of density functional theory in the local density approximation and Dynamical Mean Field Theory (LDA+DMFT), and apply it to several actinides. The results of the LDA+DMFT reduces to the band limit for itinerant systems and to the atomic limit for localized f electrons, meaning a spectrum of 5f itinerancy can be investigated. Our results provides a consistent and unified view of the XAS branching ratio for all elemental actinides, and is in good overall agreement with experiments.Comment: 6 pages, 4 figure

Management of acute promyelocytic leukemia in the setting of acute COVID-19 infection

Acute promyelocytic leukemia (APL) often presents with significant coagulopathy which may result in both hemorrhagic and thrombotic complications. The emergence of the COVID-19 pandemic has complicated the initial treatment and diagnosis of APL owing to the viral infection\u27s own associated coagulopathy. Here we report two cases of APL newly diagnosed in the setting of COVID-19 infection and considerations in their management. Included is a discussion of strategies for the dosing of arsenic trioxide in patients with significant obesity and renal insufficiency. The case series submitted does not represent a study on patients and thus no specific informed consents or permissions were required. All images included in our manuscript have been deidentified and all authors certify that personal details that could potentially be used to identify the patients in the cases described have been removed. The corresponding author has personally confirmed that both patients included in this study have given verbal permission to present their cases in the de-identified manner as described above

Massive Lyman Break Galaxies at z~3 in the Spitzer Extragalactic First Look Survey

We investigate the properties of 1088 Lyman Break Galaxies (LBGs) at z~3 selected from a ~2.63$deg2 sub-region of the First Look Survey field using the ground-based multi-color data and the Spitzer Space Telescope mid-infrared data at 3--8 and 24 um. With the wide area and the broad wavelength coverage, we sample a large number of ``rare'' u-band dropouts which are massive (M* > 10^11 Msun), allowing us to perform a statistical analysis of these subsets of LBGs that have not been studied in detail. Optically bright (R(AB) < 24.5 mag) LBGs detected in mid-infrared (S_{3.6um} > 6 uJy) reside at the most massive and dusty end of the LBG population, with relatively high and tight$M/L$ in rest-frame near-infrared. Most infrared-luminous LBGs (S_{24um} > 100 uJy) are dusty star-forming galaxies with star formation rates of 100--1000 Msun/yr, total infrared luminosity of > 10^12 Lsun. By constructing the UV luminosity function of massive LBGs, we estimate that the lower limit for the star formation rate density from LBGs more massive than 10^11 Msun at z~3 is > 3.3 x 10^-3 Msun/yr/Mpc^3, showing for the first time that the UV-bright population of massive galaxies alone contributes significantly to the global star formation rate density at z~3. When combined with the star formation rate densities at z < 2, our result reveals a steady increase in the contribution of massive galaxies to the global star formation from z=0 to z=3, providing strong support to the downsizing of galaxy formation.Comment: 15 pages, 13 figures. Accepted for publication in Ap

Anisotropic Dirac fermions in a Bi square net of SrMnBi2

We report the highly anisotropic Dirac fermions in a Bi square net of SrMnBi2, based on a first principle calculation, angle resolved photoemission spectroscopy, and quantum oscillations for high-quality single crystals. We found that the Dirac dispersion is generally induced in the (SrBi)+ layer containing a double-sized Bi square net. In contrast to the commonly observed isotropic Dirac cone, the Dirac cone in SrMnBi2 is highly anisotropic with a large momentum-dependent disparity of Fermi velocities of ~ 8. These findings demonstrate that a Bi square net, a common building block of various layered pnictides, provide a new platform that hosts highly anisotropic Dirac fermions.Comment: 5 pages, 4 figure

Feasibility Study of Developing a Virtual Chilled Water Flow Meter at Air Handling Unit Level

In this paper, a virtual Air handling unit (AHU) level water flow meter is explored by using a control valve as a measurement device. The flow through the valve is indirectly calculated using differential pressure over both the valve and its associated coil and valve stem position. Thus, the non-intrusive virtual flow meter introduced in this paper provides a solution to one of the measurement barriers and challenges: a low cost, reliable energy metering system at the AHU level. Mathematical models were built and the preliminary experiments were conducted to investigate the feasibility of the virtual flow meter applications. As a result, the valve flow meter can be a cost effective means for water flow measurements at the AHU and thus provides an effective index for detecting and diagnosing the AHU operation faults