Efficient simulations with electronic open boundaries

We present a reformulation of the Hairy Probe method for introducing electronic open boundaries that is appropriate for steady state calculations involving non-orthogonal atomic basis sets. As a check on the correctness of the method we investigate a perfect atomic wire of Cu atoms, and a perfect non-orthogonal chain of H atoms. For both atom chains we find that the conductance has a value of exactly one quantum unit, and that this is rather insensitive to the strength of coupling of the probes to the system, provided values of the coupling are of the same order as the mean inter-level spacing of the system without probes. For the Cu atom chain we find in addition that away from the regions with probes attached, the potential in the wire is uniform, while within them it follows a predicted exponential variation with position. We then apply the method to an initial investigation of the suitability of graphene as a contact material for molecular electronics. We perform calculations on a carbon nanoribbon to determine the correct coupling strength of the probes to the graphene, and obtain a conductance of about two quantum units corresponding to two bands crossing the Fermi surface. We then compute the current through a benzene molecule attached to two graphene contacts and find only a very weak current because of the disruption of the π-conjugation by the covalent bond between the benzene and the graphene. In all cases we find that very strong or weak probe couplings suppress the current

Leptoquark search at the Forward Physics Facility

In this study, we calculate the sensitivity reach on the vector leptoquark (LQ) $U_1$ at the experiments proposed in Forward Physics Facility (FPF), including FASER$\nu$, FASER$\nu2$, FLArE (10 tons), and FLArE (100 tons) using the neutrino-nucleon scattering ($\nu N \rightarrow \nu N'$ and $\nu N \rightarrow l N'$). We cover a wide mass range of $10^{-3}$ GeV $\leq M_{LQ}\leq 10^4$ GeV. The new result shows that the FLArE (100 tons) offers the best sensitivity to the LQ model. The sensitivity curves for all the experiments follow a similar pattern with weakened sensitivities with the increment of the LQ mass. We combine the sensitivities obtained from the neutral- and charged-current interactions of the neutrinos.Comment: 21 pages, 10 figures. Adding two subfigures on the TeV mass LQ mass regim

Development of a novel forward dynamic programming method for weather routing

This paper presents a novel forward dynamic programming method for weather routing to minimise ship fuel consumption during a voyage. Compared with traditional weather routing methods which only optimise the ship's heading, while the engine power or propeller rotation speed is set as a constant throughout the voyage, this new method considers both the ship power settings and heading controls. A float state technique is used to reduce the iterations required during optimisation and thus save computation time. This new method could lead to quasiglobal optimal routing in comparison with the traditional weather routing methods

Nanoresolution real-time 3D orbital tracking for studying mitochondrial trafficking in vertebrate axons in vivo

We present the development and in vivo application of a feedback-based tracking microscope to follow individual mitochondria in sensory neurons of zebrafish larvae with nanometer precision and millisecond temporal resolution. By combining various technical improvements, we tracked individual mitochondria with unprecedented spatiotemporal resolution over distances of >100 mu m. Using these nanoscopic trajectory data, we discriminated five motional states: a fast and a slow directional motion state in both the anterograde and retrograde directions and a stationary state. The transition pattern revealed that, after a pause, mitochondria predominantly persist in the original direction of travel, while transient changes of direction often exhibited longer pauses. Moreover, mitochondria in the vicinity of a second, stationary mitochondria displayed an increased probability to pause. The capability of following and optically manipulating a single organelle with high spatiotemporal resolution in a living organism offers a new approach to elucidating their function in its complete physiological context

Copula-based agricultural conditional value-at-risk modelling for geographical diversifications in wheat farming portfolio management

An agricultural producer's crop yield and subsequent farming revenues are affected by many complex factors, including price fluctuations, government policy and climate (e.g., rainfall and temperature) extremes. Geographical diversification is identified as a potential farmer adaptation and decision support tool that could assist producers to reduce unfavourable financial impacts due to variabilities in crop price and yield, associated with climate variations. There has been limited research performed on the effectiveness of this strategy. The paper proposed a new statistical approach to investigate whether the geographical spread of wheat farm portfolios across three climate broad-acre (i.e., rain-fed) zones could potentially reduce financial risks for producers in Australian agro-ecological zones. A suite of popular and statistically robust tools applied in finance based on well-established statistical theories, comprised of the Conditional Value-at-Risk (CVaR) and the joint copula model were employed to evaluate the effectiveness geographical diversification. CVaR is utilised to benchmark the loss (i.e., downside risk), while the copula function is employed to model joint distribution among marginal returns (i.e., profit in each zone). The mean-CVaR optimisations indicate that geographical diversification could be a feasible agricultural risk management approach for wheat farm portfolio managers in achieving their optimised expected returns while controlling the risks (i.e., targeting levels of risk). Further, in this study, the copula-based mean-CVaR model is seen to better simulate extreme losses compared to the conventional multivariate-normal models, which underestimate the minimum risk levels at a given target of expected return. Among the suite of tested copula-based models, the vine copula in this study is found to be a superior in capturing the tail dependencies compared to the other multivariate copula models investigated

Simulation of the Control of Vortex Breakdown in a Closed Cylinder Using a Small Rotating Disk

The enhancement or suppression of vortex breakdown in a closed cylinder caused by a small rotating disk embedded in the nonrotating endwall is simulated in this study. This paper shows that corotation or counter-rotation of the control disk with respect to the driving lid is able to promote or suppress the “bubble-type” vortex breakdown. This is achieved using only a small fraction of the power required to drive the main lid. The simulations show that the vortex breakdown induced or suppressed by flow control displays similar characteristics near the breakdown region as produced by varying the flow Reynolds number. These include near-axis swirl, centerline axial velocity, and centerline pressure. The influence of the size of the control disk is also quantified