Utility of Chemical Computations in Predicting Solution Free Energies of Metal Ions.
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Abstract Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe–O, Mg–O, and Fe–Mg binary systems under pressure have been investigated, there are still very few studies of the Fe–Mg–O ternary system at relevant Earth’s core and super-Earth’s mantle pressures. Here, we use the adaptive genetic algorithm (AGA) to study ternary Fe x Mg y O z phases in a wide range of stoichiometries at 200 GPa and 350 GPa. We discovered three dynamically stable phases with stoichiometries FeMg 2 O 4 , Fe 2 MgO 4, and FeMg 3 O 4 with lower enthalpy than any known combination of Fe–Mg–O high-pressure compounds at 350 GPa. With the discovery of these phases, we construct the Fe–Mg–O ternary convex hull. We further clarify the composition- and pressure-dependence of structural motifs with the analysis of the AGA-found stable and metastable structures. Analysis of binary and ternary stable phases suggest that O, Mg, or both could stabilize a BCC iron alloy at inner core pressures.
The goals of the Mix Campaign are to determine how mix affects performance, locate the "mix cliff", locate the source of the mix, and develop mitigation methods that allow performance to be increased. We have used several different drive pulse shapes and capsule designs in the Mix Campaign, to understand sensitivity to drive peak power, level of coast, rise time to peak power, adiabat, and dopant level in the capsule. Ablator material mixing into the hot spot has been shown conclusively with x-ray spectroscopy. The observed neutron yield drops steeply when the hot spot mix mass becomes too large. The mix appears to be driven by ablation- front Rayleigh-Taylor instabilities. A high foot, higher adiabat drive has a more stable ablation front and has allowed the mix mass in the hot spot to be reduced significantly. We found two recent high foot shots achieved neutron yields > 10 15 and measured neutron yield over clean 1D simulation (YOC) > 50%, which was one of the central goals of the Mix Campaign.
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In many vertebrates, body size is an important driver of variation in male reproductive success. Larger, more fit individuals are more likely to dominate mating opportunities, skewing siring success and resulting in lower effective population sizes and genetic diversity. The mating system of the gopher tortoise (Gopherus polyphemus) has been characterized as both female defense and scramble-competition polygyny. Mating systems are typically not fixed and can be influenced by factors such as population density, demographic structure, and environmental conditions;, however, most populations will have a predominant strategy that results from local conditions. We assessed how male body size influences patterns of paternity and reproductive success in a natural population of gopher tortoises in Florida, USA. Using microsatellites, we assigned parentage of 220 hatchlings from 31 nests collected during two reproductive seasons. Larger males were significantly more likely to sire offspring and sired more offspring than smaller males; however, the likelihood of a clutch being multiply-sired was unrelated to male body size. We also found evidence of mate fidelity across years. Although paternity patterns in this high-density population are more consistent with defense polygyny, female monopoly by males was incomplete, with both large and small males contributing to multiply-sired clutches. Additional behavioral data are needed to clarify the role of female mate selection in paternity outcomes. The context-dependence of mating systems underscores the need to compare parentage patterns across populations and to recognize the potential for more than one strategy to be employed within a single population.
Chronic pain affects more than 50 million Americans. Treatments remain inadequate, in large part, because the pathophysiological mechanisms underlying the development of chronic pain remain poorly understood. Pain biomarkers could potentially identify and measure biological pathways and phenotypical expressions that are altered by pain, provide insight into biological treatment targets, and help identify at-risk patients who might benefit from early intervention. Biomarkers are used to diagnose, track, and treat other diseases, but no validated clinical biomarkers exist yet for chronic pain. To address this problem, the National Institutes of Health Common Fund launched the Acute to Chronic Pain Signatures (A2CPS) program to evaluate candidate biomarkers, develop them into biosignatures, and discover novel biomarkers for chronification of pain after surgery. This article discusses candidate biomarkers identified by A2CPS for evaluation, including genomic, proteomic, metabolomic, lipidomic, neuroimaging, psychophysical, psychological, and behavioral measures. Acute to Chronic Pain Signatures will provide the most comprehensive investigation of biomarkers for the transition to chronic postsurgical pain undertaken to date. Data and analytic resources generatedby A2CPS will be shared with the scientific community in hopes that other investigators will extract valuable insights beyond A2CPS’s initial findings. This article will review the identified biomarkers and rationale for including them, the current state of the science on biomarkers of the transition from acute to chronic pain, gaps in the literature, and how A2CPS will address these gaps.
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Through systematic control of the Nd concentration, we show that the carrier density of the twodimensional electron gas (2DEG) in SrTiO3=NdTiO3=SrTiO3 ð001Þ can be modulated over a wide range. We also demonstrate that the NdTiO3 in heterojunctions without a SrTiO3 cap is degraded by oxygen absorption from air, resulting in the immobilization of donor electrons that could otherwise contribute to the 2DEG. This system is, thus, an ideal model to understand and control the insulator-to-metal transition in a 2DEG based on both environmental conditions and film-growth processing parameters.