Structural Phase Transitions of the Metal Oxide Perovskites SrTiO3, LaAlO3 and LaTiO3 Studied with a Screened Hybrid Functional

We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO$_{3}$, LaAlO$_{3}$ and LaTiO$_{3}$ using the screened hybrid density functional of Heyd, Scuseria and Ernzerhof (HSE06). We show that HSE06-computed lattice parameters, octahedral tilts and rotations, as well as electronic properties, are significantly improved over semilocal functionals. We predict the crystal field splitting ($\Delta_{CF}$) resulting from the structural phase transition in SrTiO$_{3}$ and LaAlO$_{3}$ to be 3 meV and 10 meV, respectively, in excellent agreement with experimental results. HSE06 identifies correctly LaTiO$_{3}$ in the magnetic sates as a Mott insulator. Also, it predicts that the GdFeO$_{3}$-type distortion in non-magnetic LaTiO$_{3}$ will induce a large $\Delta_{CF}$ of 410 meV. This large crystal-field splitting associated with the large magnetic moment found in the G-type antiferromagnetic state suggest that LaTiO$_{3}$ has an induced orbital order, which is confirmed by the visualisation of the highest occupied orbitals. These results strongly indicate that HSE06 is capable of efficiently and accurately modeling perovskite oxides, and promises to efficiently capture the physics at their heterointerfaces

Phosphoregulation on mitochondria: Integration of cell and organelle responses

Mitochondria are highly integrated organelles that are crucial to cell adaptation and mitigating adverse physiology. Recent studies demonstrate that fundamental signal transduction pathways incorporate mitochondrial substrates into their biological programs. Reversible phosphorylation is emerging as a useful mechanism to modulate mitochondrial function in accordance with cellular changes. Critical serine/threonine protein kinases, such as the c‐Jun N‐terminal kinase (JNK), protein kinase A (PKA), PTEN‐induced kinase‐1 (PINK1), and AMP‐dependent protein kinase (AMPK), readily translocate to the outer mitochondrial membrane (OMM), the interface of mitochondria‐cell communication. OMM protein kinases phosphorylate diverse mitochondrial substrates that have discrete effects on organelle dynamics, protein import, respiratory complex activity, antioxidant capacity, and apoptosis. OMM phosphorylation events can be tempered through the actions of local protein phosphatases, such as mitogen‐activated protein kinase phosphatase‐1 (MKP‐1) and protein phosphatase 2A (PP2A), to regulate the extent and duration of signaling. The central mediators of OMM signal transduction are the scaffold proteins because the relative abundance of these accessory proteins determines the magnitude and duration of a signaling event on the mitochondrial surface, which dictates the biological outcome of a local signal transduction pathway. The concentrations of scaffold proteins, such as A‐kinase anchoring proteins (AKAPs) and Sab (or SH3 binding protein 5—SH3BP5), have been shown to influence neuronal survival and vulnerability, respectively, in models of Parkinson\u27s disease (PD), highlighting the importance of OMM signaling to health and disease. Despite recent progress, much remains to be discovered concerning the mechanisms of OMM signaling. Nonetheless, enhancing beneficial OMM signaling events and inhibiting detrimental protein‐protein interactions on the mitochondrial surface may represent highly selective approaches to restore mitochondrial health and homeostasis and mitigate organelle dysfunction in conditions such as PD

Weather, Crime, and Mental Illness

ABSTRACT - A simple count of disturbed incidents in the mentally ill and total radio transmissions of the Minneapolis Police Departmenf were collected daily over a six-month period. These were correlated with calendar time, temperature, humidity, and barometric pressure for the same period. Separate comparisons were made of all these measures for December 1959 with those of other Decembers. All the weather variables correlated linearly and significantly with the behavior v.ariables; temperature and humidity, positively; barometric pressure negatively. Calendar time for the half year correlated linearly and negatively. December 1959 had a higher crime and mental disturbance rate than other Decembers; this was accompanied by higher temperature and humidity

A Re-evaluation of the “Oncogenic” Nature of Wnt/β-catenin Signaling in Melanoma and Other Cancers

In cancer, Wnt/β-catenin signaling is ubiquitously referred to as an “oncogenic” pathway that promotes tumor progression. This review examines how the regulation and downstream effects of Wnt/β-catenin signaling in cancer varies depending on cellular context, with a focus on malignant melanoma. We emphasize that the cellular homeostasis of Wnt/β-catenin signaling may represent a more appropriate concept than the simplified view of the Wnt/β-catenin pathway as either oncogenic or tumor-suppressing. Ultimately, a more refined understanding of the contextual regulation of Wnt/β-catenin signaling will be essential for addressing if and how therapeutic targeting of this pathway could be leveraged for patient benefit

Generation of Three-Qubit Entangled States using Superconducting Phase Qubits

Entanglement is one of the key resources required for quantum computation, so experimentally creating and measuring entangled states is of crucial importance in the various physical implementations of a quantum computer. In superconducting qubits, two-qubit entangled states have been demonstrated and used to show violations of Bell's Inequality and to implement simple quantum algorithms. Unlike the two-qubit case, however, where all maximally-entangled two-qubit states are equivalent up to local changes of basis, three qubits can be entangled in two fundamentally different ways, typified by the states $|\mathrm{GHZ}> = (|000> + |111>)/\sqrt{2}$ and $|\mathrm{W}> = (|001> + |010> + |100>)/\sqrt{3}$. Here we demonstrate the operation of three coupled superconducting phase qubits and use them to create and measure $|\mathrm{GHZ}>$ and $|\mathrm{W}>$ states. The states are fully characterized using quantum state tomography and are shown to satisfy entanglement witnesses, confirming that they are indeed examples of three-qubit entanglement and are not separable into mixtures of two-qubit entanglement.Comment: 9 pages, 5 figures. Version 2: added supplementary information and fixed image distortion in Figure 2

Degradation of the materials of construction in Li-ion batteries

The primary current-collector materials being used in lithium-ion cells are susceptible to environmental degradation: aluminum to pitting corrosion and copper to environmentally assisted cracking. Pitting occurs at the highly oxidizing potentials associated with the positive-electrode charge condition. However, the pitting mechanism is more complex than that typically observed in aqueous systems in that the pits are filled with a mixed metal/oxide product and exist as mounds or nodules on the surface. Electrochemical impedance spectroscopy was shown to be an effective analytical tool for quantifying and verifying aluminum corrosion behavior. Two fluorocarbon-based coatings were shown to improve the resistance of Al to pitting attack. Detailed x-ray photoelectron spectroscopy (XPS) surface analyses showed that there was very little difference in the films observed after simple immersion in either PC:DEC or EC:DMC electrolytes versus those following electrical cycling. Li and P are the predominant surface species. Finally, environmental cracking of copper can occur at or near the lithium potential and only if specific metallurgical conditions exist (work-hardening and large grain size)

Holistic Slowdown Driven Scheduling and Resource Management for Malleable Jobs

In job scheduling, the concept of malleability has been explored since many years ago. Research shows that malleability improves system performance, but its utilization in HPC never became widespread. The causes are the difficulty in developing malleable applications, and the lack of support and integration of the different layers of the HPC software stack. However, in the last years, malleability in job scheduling is becoming more critical because of the increasing complexity of hardware and workloads. In this context, using nodes in an exclusive mode is not always the most efficient solution as in traditional HPC jobs, where applications were highly tuned for static allocations, but offering zero flexibility to dynamic executions. This paper proposes a new holistic, dynamic job scheduling policy, Slowdown Driven (SD-Policy), which exploits the malleability of applications as the key technology to reduce the average slowdown and response time of jobs. SD-Policy is based on backfill and node sharing. It applies malleability to running jobs to make room for jobs that will run with a reduced set of resources, only when the estimated slowdown improves over the static approach. We implemented SD-Policy in SLURM and evaluated it in a real production environment, and with a simulator using workloads of up to 198K jobs. Results show better resource utilization with the reduction of makespan, response time, slowdown, and energy consumption, up to respectively 7%, 50%, 70%, and 6%, for the evaluated workloads

Corrosion of current-collector materials in Li-ion cells

The primary current-collector materials being used in lithium-ion cells are susceptible to environmental degradation: aluminum to pitting corrosion and copper to environmentally assisted cracking. Pitting occurs at the highly oxidizing potentials associated with the positive-electrode charge condition. However, the pitting mechanism is more complex than that typically observed in aqueous systems in that the pits are filled with a mixed metal/oxide product and exist as mounds or nodules on the surface. Electrochemical impedance was shown to be an effective analytical tool for quantification and verification of visual observations and trends. Two fluorocarbon-based coatings were shown to improve the resistance of Al to localized pitting. Finally, environmental cracking of copper can occur at or near the lithium potential and only if specific metallurgical conditions exist (work hardening and large grain size)

CHILES: HI morphology and galaxy environment at z=0.12 and z=0.17

We present a study of 16 HI-detected galaxies found in 178 hours of observations from Epoch 1 of the COSMOS HI Large Extragalactic Survey (CHILES). We focus on two redshift ranges between 0.108 <= z <= 0.127 and 0.162 <= z <= 0.183 which are among the worst affected by radio frequency interference (RFI). While this represents only 10% of the total frequency coverage and 18% of the total expected time on source compared to what will be the full CHILES survey, we demonstrate that our data reduction pipeline recovers high quality data even in regions severely impacted by RFI. We report on our in-depth testing of an automated spectral line source finder to produce HI total intensity maps which we present side-by-side with significance maps to evaluate the reliability of the morphology recovered by the source finder. We recommend that this become a common place manner of presenting data from upcoming HI surveys of resolved objects. We use the COSMOS 20k group catalogue, and we extract filamentary structure using the topological DisPerSE algorithm to evaluate the \hi\ morphology in the context of both local and large-scale environments and we discuss the shortcomings of both methods. Many of the detections show disturbed HI morphologies suggesting they have undergone a recent interaction which is not evident from deep optical imaging alone. Overall, the sample showcases the broad range of ways in which galaxies interact with their environment. This is a first look at the population of galaxies and their local and large-scale environments observed in HI by CHILES at redshifts beyond the z=0.1 Universe.Comment: 23 pages, 12 figures, 1 interactive 3D figure, accepted to MNRA