Applied Symmetry for Crystal Structure Prediction

This thesis presents an original open-source Python package called PyXtal (pronounced pi-crystal ) that generates random symmetric crystal structures for use in crystal structure prediction (CSP). The primary advantage of PyXtal over existing structure generation tools is its unique symmetrization method. For molecular structures, PyXtal uses an original algorithm to determine the compatibility of molecular point group symmetry with Wyckoff site symmetry. This allows the molecules in generated structures to occupy special Wyckoff positions without breaking the structure\u27s symmetry. This is a new feature which increases the space of search-able structures and in turn improves CSP performance. It is shown that using already-symmetric initial structures results in a higher probability of finding the lowest-energy structure. Ultimately, this lowers the computational time needed for CSP. Structures can be generated for any symmetry group of 0, 1, 2, or 3 dimensions of periodicity. Either atoms or rigid molecules may be used as building blocks. The generated structures can be optimized with VASP, LAMMPS, or other computational tools. Additional options are provided for the lattice and inter-atomic distance constraints. Results for carbon and silicon crystals, water ice crystals, and molybdenum clusters are presented as usage examples

Modular Unmanned Aerial System with Multi-Mode Propulsion

A modular Unmanned Aerial System (UAS) includes an Unmanned Aerial Vehicle (UAV) parent module and UAV child modules. A main wing extends from a respective fuselage of the modules. The UAS includes docking mechanisms coupled to wingtips of the main wings. The child modules dock with the wingtips of the parent or an adjacent child module. Docking forms a linked-flight configuration, with undocking and separation from the parent or adjacent child module achieving an independent-flight configuration. The modules have booms arranged transverse to the main wings and parallel to the longitudinal axis, as well as front and rear rotors/propellers. The front and rear propellers have axes of rotation that are normal to a plane of the longitudinal axis in a vertical takeoff and landing (VTOL) configuration, with the axis of rotation of the rear propellers parallel to the longitudinal axis in a forward-flight configuration

Benefits of Hybrid-Electric Propulsion to Achieve 4x Increase in Cruise Efficiency for a VTOL Aircraft

Electric propulsion enables radical new vehicle concepts, particularly for Vertical Takeoff and Landing (VTOL) aircraft because of their significant mismatch between takeoff and cruise power conditions. However, electric propulsion does not merely provide the ability to normalize the power required across the phases of flight, in the way that automobiles also use hybrid electric technologies. The ability to distribute the thrust across the airframe, without mechanical complexity and with a scale-free propulsion system, is a new degree of freedom for aircraft designers. Electric propulsion is scale-free in terms of being able to achieve highly similar levels of motor power to weight and efficiency across a dramatic scaling range. Applying these combined principles of electric propulsion across a VTOL aircraft permits an improvement in aerodynamic efficiency that is approximately four times the state of the art of conventional helicopter configurations. Helicopters typically achieve a lift to drag ratio (L/D) of between 4 and 5, while the VTOL aircraft designed and developed in this research were designed to achieve an L/D of approximately 20. Fundamentally, the ability to eliminate the problem of advancing and retreating rotor blades is shown, without resorting to unacceptable prior solutions such as tail-sitters. This combination of concept and technology also enables a four times increase in range and endurance while maintaining the full VTOL and hover capability provided by a helicopter. Also important is the ability to achieve low disc-loading for low ground impingement velocities, low noise and hover power minimization (thus reducing energy consumption in VTOL phases). This combination of low noise and electric propulsion (i.e. zero emissions) will produce a much more community-friendly class of vehicles. This research provides a review of the concept brainstorming, configuration aerodynamic and mission analysis, as well as subscale prototype construction and flight testing that verifies transition flight control. A final down-selected vehicle is also presented

Audit of the autoantibody test, EarlyCDT®-Lung, in 1600 patients: An evaluation of its performance in routine clinical practice

ObjectivesEarlyCDT®-Lung may enhance detection of early stage lung cancer by aiding physicians in assessing high-risk patients through measurement of biological markers (i.e., autoantibodies). The test's performance characteristics in routine clinical practice were evaluated by auditing clinical outcomes of 1613 US patients deemed at high risk for lung cancer by their physician, who ordered the EarlyCDT-Lung test for their patient.MethodsClinical outcomes for all 1613 patients who provided HIPAA authorization are reported. Clinical data were collected from each patient's treating physician. Pathology reports when available were reviewed for diagnostic classification. Staging was assessed on histology, otherwise on imaging.ResultsSix month follow-up for the positives/negatives was 99%/93%. Sixty-one patients (4%) were identified with lung cancer, 25 of whom tested positive by EarlyCDT-Lung (sensitivity = 41%). A positive EarlyCDT-Lung test on the current panel was associated with a 5.4-fold increase in lung cancer incidence versus a negative. Importantly, 57% (8/14) of non-small cell lung cancers detected as positive (where stage was known) were stage I or II.ConclusionsEarlyCDT-Lung has been extensively tested and validated in case–control settings and has now been shown in this audit to perform in routine clinical practice as predicted. EarlyCDT-Lung may be a complementary tool to CT for detection of early lung cancer

Early affective changes and increased connectivity in preclinical Alzheimer's disease.

IntroductionAffective changes precede cognitive decline in mild Alzheimer's disease and may relate to increased connectivity in a "salience network" attuned to emotionally significant stimuli. The trajectory of affective changes in preclinical Alzheimer's disease, and its relationship to this network, is unknown.MethodsOne hundred one cognitively normal older adults received longitudinal assessments of affective symptoms, then amyloid-PET. We hypothesized amyloid-positive individuals would show enhanced emotional reactivity associated with salience network connectivity. We tested whether increased global connectivity in key regions significantly related to affective changes.ResultsIn participants later found to be amyloid positive, emotional reactivity increased with age, and interpersonal warmth declined in women. These individuals showed higher global connectivity within the right insula and superior temporal sulcus; higher superior temporal sulcus connectivity predicted increasing emotional reactivity and decreasing interpersonal warmth.ConclusionsAffective changes should be considered an early preclinical feature of Alzheimer's disease. These changes may relate to higher functional connectivity in regions critical for social-emotional processing

Numerical Investigation of a Fuselage Boundary Layer Ingestion Propulsion Concept

In the present study, a numerical assessment of the performance of fuselage boundary layer ingestion (BLI) propulsion techniques was conducted. This study is an initial investigation into coupling the aerodynamics of the fuselage with a BLI propulsion system to determine if there is sufficient potential to warrant further investigation of this concept. Numerical simulations of flow around baseline, Boundary Layer Controlled (BLC), and propelled boundary layer controlled airships were performed. Computed results showed good agreement with wind tunnel data and previous numerical studies. Numerical simulations and sensitivity analysis were then conducted on four BLI configurations. The two design variables selected for the parametric study of the new configurations were the inlet area and the inlet to exit area ratio. Current results show that BLI propulsors may offer power savings of up to 85% over the baseline configuration. These interim results include the simplifying assumption that inlet ram drag is negligible and therefore likely overstate the reduction in power. It has been found that inlet ram drag is not negligible and should be included in future analysis

Drag Reduction Through Distributed Electric Propulsion

One promising application of recent advances in electric aircraft propulsion technologies is a blown wing realized through the placement of a number of electric motors driving individual tractor propellers spaced along each wing. This configuration increases the maximum lift coefficient by providing substantially increased dynamic pressure across the wing at low speeds. This allows for a wing sized near the ideal area for maximum range at cruise conditions, imparting the cruise drag and ride quality benefits of this smaller wing size without decreasing takeoff and landing performance. A reference four-seat general aviation aircraft was chosen as an exemplary application case. Idealized momentum theory relations were derived to investigate tradeoffs in various design variables. Navier-Stokes aeropropulsive simulations were performed with various wing and propeller configurations at takeoff and landing conditions to provide insight into the effect of different wing and propeller designs on the realizable effective maximum lift coefficient. Similar analyses were performed at the cruise condition to ensure that drag targets are attainable. Results indicate that this configuration shows great promise to drastically improve the efficiency of small aircraft

Greased Lightning (GL-10) Flight Testing Campaign

Greased Lightning (GL-10) is an aircraft configuration that combines the characteristics of a cruise efficient airplane with the ability to perform vertical takeoff and landing (VTOL). This aircraft has been designed, fabricated and flight tested at the small unmanned aerial system (UAS) scale. This technical memorandum will document the procedures and findings of the flight test experiments. The GL-10 design utilized two key technologies to enable this unique aircraft design; namely, distributed electric propulsion (DEP) and inexpensive closed loop controllers. These technologies enabled the flight of this inherently unstable aircraft. Overall it has been determined thru flight test that a design that leverages these new technologies can yield a useful VTOL cruise efficient aircraft

Tri-Rotor Aircraft Capable of Vertical Takeoff and Landing and Transitioning to Forward Flight

Systems, methods, and devices provide a vehicle, such as an aircraft, with rotors configured to function as a tri-copter for vertical takeoff and landing ("VTOL") and a fixed-wing vehicle for forward flight. One rotor may be mounted at a front of the vehicle fuselage on a hinged structure controlled by an actuator to tilt from horizontal to vertical positions. Two additional rotors may be mounted on the horizontal surface of the vehicle tail structure with rotor axes oriented vertically to the fuselage. For forward flight of the vehicle, the front rotor may be rotated down such that the front rotor axis may be oriented horizontally along the fuselage and the front rotor may act as a propeller. For vertical flight, the front rotor may be rotated up such that the front rotor axis may be oriented vertically to the fuselage, while the tail rotors may be activated