Streamwise forced oscillations of circular and square cylinders

The modification of a cylinder wake by streamwise oscillation of the cylinder at the vortex shedding frequency of the unperturbed cylinder is reported. Recent numerical simulations [J. S. Leontini, D. Lo Jacono, and M. C. Thompson, “A numerical study of an inline oscillating cylinder in a free stream,” J. Fluid Mech. 688, 551–568 (2011)] showed that this forcing results in the primary frequency decreasing proportionally to the square of the forcing amplitude, before locking to a subharmonic at higher amplitudes. The experimental results presented here show that this behavior continues at higher Reynolds numbers, although the flow is three-dimensional. In addition, it is shown that this behavior persists when the body is a square cross section, and when the frequency of forcing is detuned from the unperturbed cylinder shedding frequency. The similarity of the results across Reynolds number, geometry, and frequency suggests that the physical mechanism is applicable to periodic forcing of the classic von Ka ́rma ́n vortex street, regardless of the details of the body which forms the street

ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules

One of the grand challenges in modern theoretical chemistry is designing and implementing approximations that expedite ab initio methods without loss of accuracy. Machine learning (ML) methods are emerging as a powerful approach to constructing various forms of transferable atomistic potentials. They have been successfully applied in a variety of applications in chemistry, biology, catalysis, and solid-state physics. However, these models are heavily dependent on the quality and quantity of data used in their fitting. Fitting highly flexible ML potentials, such as neural networks, comes at a cost: a vast amount of reference data is required to properly train these models. We address this need by providing access to a large computational DFT database, which consists of more than 20 M off equilibrium conformations for 57,462 small organic molecules. We believe it will become a new standard benchmark for comparison of current and future methods in the ML potential community

Comparison of best versus worst clinical outcomes for adult cervical deformity surgery

Study Design: Retrospective cohort study. Objective: Factors that predict outcomes for adult cervical spine deformity (ACSD) have not been well defined. To compare ACSD patients with best versus worst outcomes. Methods: This study was based on a prospective, multicenter observational ACSD cohort. Best versus worst outcomes were compared based on Neck Disability Index (NDI), Neck Pain Numeric Rating Scale (NP-NRS), and modified Japanese Orthopaedic Association (mJOA) scores. Results: Of 111 patients, 80 (72%) had minimum 1-year follow-up. For NDI, compared with best outcome patients (n = 28), worst outcome patients (n = 32) were more likely to have had a major complication ( Conclusions: Factors distinguishing best and worst ACSD surgery outcomes included patient, surgical, and radiographic factors. These findings suggest areas that may warrant greater awareness to optimize patient counseling and outcomes