Phase Behavior of Colloidal Superballs: Shape Interpolation from Spheres to Cubes

The phase behavior of hard superballs is examined using molecular dynamics within a deformable periodic simulation box. A superball's interior is defined by the inequality $|x|^{2q} + |y|^{2q} + |z|^{2q} \leq 1$, which provides a versatile family of convex particles ($q \geq 0.5$) with cube-like and octahedron-like shapes as well as concave particles ($q < 0.5$) with octahedron-like shapes. Here, we consider the convex case with a deformation parameter q between the sphere point (q = 1) and the cube (q = 1). We find that the asphericity plays a significant role in the extent of cubatic ordering of both the liquid and crystal phases. Calculation of the first few virial coefficients shows that superballs that are visually similar to cubes can have low-density equations of state closer to spheres than to cubes. Dense liquids of superballs display cubatic orientational order that extends over several particle lengths only for large q. Along the ordered, high-density equation of state, superballs with 1 < q < 3 exhibit clear evidence of a phase transition from a crystal state to a state with reduced long-ranged orientational order upon the reduction of density. For $q \geq 3$, long-ranged orientational order persists until the melting transition. The width of coexistence region between the liquid and ordered, high-density phase decreases with q up to q = 4.0. The structures of the high-density phases are examined using certain order parameters, distribution functions, and orientational correlation functions. We also find that a fixed simulation cell induces artificial phase transitions that are out of equilibrium. Current fabrication techniques allow for the synthesis of colloidal superballs, and thus the phase behavior of such systems can be investigated experimentally.Comment: 33 pages, 14 figure

Inherent Structures for Soft Long-Range Interactions in Two-Dimensional Many-Particle Systems

We generate inherent structures, local potential-energy minima, of the "$k$-space overlap potential" in two-dimensional many-particle systems using a cooling and quenching simulation technique. The ground states associated with the $k$-space overlap potential are stealthy ({\it i.e.,} completely suppress single scattering of radiation for a range of wavelengths) and hyperuniform ({\it i.e.,} infinite wavelength density fluctuations vanish). However, we show via quantitative metrics that the inherent structures exhibit a range of stealthiness and hyperuniformity depending on the fraction of degrees of freedom that are constrained. Inherent structures in two dimensions typically contain five-particle rings, wavy grain boundaries, and vacancy-interstitial defects. The structural and thermodynamic properties of inherent structures are relatively insensitive to the temperature from which they are sampled, signifying that the energy landscape is relatively flat and devoid of deep wells. Using the nudged-elastic-band algorithm, we construct paths from ground-state configurations to inherent structures and identify the transition points between them. In addition, we use point patterns generated from a random sequential addition (RSA) of hard disks, which are nearly stealthy, and examine the particle rearrangements necessary to make the configurations absolutely stealthy. We introduce a configurational proximity metric to show that only small local, but collective, particle rearrangements are needed to drive initial RSA configurations to stealthy disordered ground states. These results lead to a more complete understanding of the unusual behaviors exhibited by the family of "collective-coordinate" potentials to which the $k$-space overlap potential belongs.Comment: 36 pages, 16 figure

Classical Disordered Ground States: Super-Ideal Gases, and Stealth and Equi-Luminous Materials

Using a collective coordinate numerical optimization procedure, we construct ground-state configurations of interacting particle systems in various space dimensions so that the scattering of radiation exactly matches a prescribed pattern for a set of wave vectors. We show that the constructed ground states are, counterintuitively, disordered (i.e., possess no long-range order) in the infinite-volume limit. We focus on three classes of configurations with unique radiation scattering characteristics: (i)``stealth'' materials, which are transparent to incident radiation at certain wavelengths; (ii)``super-ideal'' gases, which scatter radiation identically to that of an ensemble of ideal gas configurations for a selected set of wave vectors; and (iii)``equi-luminous'' materials, which scatter radiation equally intensely for a selected set of wave vectors. We find that ground-state configurations have an increased tendency to contain clusters of particles as one increases the prescribed luminosity. Limitations and consequences of this procedure are detailed.Comment: 44 pages, 16 figures, revtek

Novel Ground-State Crystals with Controlled Vacancy Concentrations: From Kagom\'{e} to Honeycomb to Stripes

We introduce a one-parameter family, $0 \leq H \leq 1$, of pair potential functions with a single relative energy minimum that stabilize a range of vacancy-riddled crystals as ground states. The "quintic potential" is a short-ranged, nonnegative pair potential with a single local minimum of height $H$ at unit distance and vanishes cubically at a distance of \rt. We have developed this potential to produce ground states with the symmetry of the triangular lattice while favoring the presence of vacancies. After an exhaustive search using various optimization and simulation methods, we believe that we have determined the ground states for all pressures, densities, and $0 \leq H \leq 1$. For specific areas below 3\rt/2, the ground states of the "quintic potential" include high-density and low-density triangular lattices, kagom\'{e} and honeycomb crystals, and stripes. We find that these ground states are mechanically stable but are difficult to self-assemble in computer simulations without defects. For specific areas above 3\rt/2, these systems have a ground-state phase diagram that corresponds to hard disks with radius \rt. For the special case of H=0, a broad range of ground states is available. Analysis of this case suggests that among many ground states, a high-density triangular lattice, low-density triangular lattice, and striped phases have the highest entropy for certain densities. The simplicity of this potential makes it an attractive candidate for experimental realization with application to the development of novel colloidal crystals or photonic materials.Comment: 25 pages, 11 figure

Catalysts for long-life closed-cycle CO2 lasers

Long-life, closed-cycle operation of pulsed CO2 lasers requires catalytic CO-O2 recombination both to remove O2, which is formed by discharge-induced CO2 decomposition, and to regenerate CO2. Platinum metal on a tin (IV) oxide substrate (Pt/SnO2) has been found to be an effective catalyst for such recombination in the desired temperature range of 25 to 100 C. This paper presents a description of ongoing research at NASA-LaRC on Pt/SnO2 catalyzed CO-O2 recombination. Included are studies with rare-isotope gases since rare-isotope CO2 is desirable as a laser gas for enhanced atmospheric transmission. Results presented include: (1) achievement of 98% to 100% conversion of a stoichiometric mixture of CO and O2 to CO2 for 318 hours (greater than 1 x 10 to the 6th power seconds), continuous, at a catalyst temperature of 60 C, and (2) development of a technique verified in a 30-hour test, to prevent isotopic scrambling when CO-18 and O-18(2) are reacted in the presence of a common-isotope Pt/Sn O-16(2) catalyst

Peat Bog Wildfire Smoke Exposure in Rural North Carolina Is Associated with Cardiopulmonary Emergency Department Visits Assessed through Syndromic Surveillance

Background: In June 2008, burning peat deposits produced haze and air pollution far in excess of National Ambient Air Quality Standards, encroaching on rural communities of eastern North Carolina. Although the association of mortality and morbidity with exposure to urban air pollution is well established, the health effects associated with exposure to wildfire emissions are less well understood. Objective: We investigated the effects of exposure on cardiorespiratory outcomes in the population affected by the fire. Methods: We performed a population-based study using emergency department (ED) visits reported through the syndromic surveillance program NC DETECT (North Carolina Disease Event Tracking and Epidemiologic Collection Tool). We used aerosol optical depth measured by a satellite to determine a high-exposure window and distinguish counties most impacted by the dense smoke plume from surrounding referent counties. Poisson log-linear regression with a 5-day distributed lag was used to estimate changes in the cumulative relative risk (RR). Results: In the exposed counties, significant increases in cumulative RR for asthma [1.65 (95% confidence interval, 1.25–2.1)], chronic obstructive pulmonary disease [1.73 (1.06–2.83)], and pneumonia and acute bronchitis [1.59 (1.07–2.34)] were observed. ED visits associated with cardiopulmonary symptoms [1.23 (1.06–1.43)] and heart failure [1.37 (1.01–1.85)] were also significantly increased. Conclusions: Satellite data and syndromic surveillance were combined to assess the health impacts of wildfire smoke in rural counties with sparse air-quality monitoring. This is the first study to demonstrate both respiratory and cardiac effects after brief exposure to peat wildfire smoke

Timing of immune escape linked to success or failure of vaccination

Successful vaccination against HIV should limit viral replication sufficiently to prevent the emergence of viral immune escape mutations. Broadly directed immunity is likely to be required to limit opportunities for immune escape variants to flourish. We studied the emergence of an SIV Gag cytotoxic T cell immune escape variant in pigtail macaques expressing the Mane-A*10 MHC I allele using a quantitative RT-PCR to measure viral loads of escape and wild type variants. Animals receiving whole Gag expressing vaccines completely controlled an SIVmac251 challenge, had broader CTL responses and exhibited minimal CTL escape. In contrast, animals vaccinated with only a single CTL epitope and challenged with the same SIVmac251 stock had high levels of viral replication and rapid CTL escape. Unvaccinated na&iuml;ve animals exhibited a slower emergence of immune escape variants. Thus narrowly directed vaccination against a single epitope resulted in rapid immune escape and viral levels equivalent to that of na&iuml;ve unvaccinated animals. These results emphasize the importance of inducing broadly directed HIV-specific immunity that effectively quashes early viral replication and limits the generation of immune escape variants. This has important implications for the selection of HIV vaccines for expanded human trials.<br /

Adverse childhood experiences and prescription drug use in a cohort study of adult HMO patients

<p>Abstract</p> <p>Background</p> <p>Prescription drugs account for approximately 11% of national health expenditures. Prior research on adverse childhood experiences (ACEs), which include common forms of child maltreatment and related traumatic stressors, has linked them to numerous health problems. However, data about the relationship of these experiences to prescription drug use are scarce.</p> <p>Method</p> <p>We used the ACE Score (an integer count of 8 different categories of ACEs) as a measure of cumulative exposure to traumatic stress during childhood. We prospectively assessed the relationship of the Score to prescription drug use in a cohort of 15,033 adult HMO patients (mean follow-up: 6.1 years) and assessed mediation of this relationship by documented ACE-related health and social problems.</p> <p>Results</p> <p>Nearly 1.2 million prescriptions were recorded; prescriptions rates increased in a graded fashion as the ACE Score increased (p for trend < 0.0001). Compared to persons with an ACE Score of 0, persons with a Score ≥ 5 had rates increased by 40%; graded relationships were seen for all age groups (18–44, 45–64, and 65–89 years) (p for trend < 0.01). Graded relationships were observed for the risk of being in the upper decile of number of classes of drugs used; persons with scores of ≥ 5 had this risk increased 2-fold. Adjustment for ACE-related health problems reduced the strength of the associations by more than 60%.</p> <p>Conclusion</p> <p>ACEs substantially increase the number of prescriptions and classes of drugs used for as long as 7 or 8 decades after their occurrence. The increases in prescription drug use were largely mediated by documented ACE-related health and social problems.</p

Technical trading and cryptocurrencies

This paper carries out a comprehensive examination of technical trading rules in cryptocurrency markets, using data from two Bitcoin markets and three other popular cryptocurrencies. We employ almost 15,000 technical trading rules from the main five classes of technical trading rules and find significant predictability and profitability for each class of technical trading rule in each cryptocurrency. We find that the breakeven transaction costs are substantially higher than those typically found in cryptocurrency markets. To safeguard against data-snooping, we implement a number of multiple hypothesis procedures which confirms our findings that technical trading rules do offer significant predictive power and profitability to investors. We also show that the technical trading rules offer substantially higher risk-adjusted returns than the simple buy-and-hold strategy, showing protection against lengthy and severe drawdowns associated with cryptocurrency markets. However there is no predictability for Bitcoin in the out-of-sample period, although predictability remains in other cryptocurrency markets