Copper has been considered as a common pressure calibrant and equation of state (EOS) and shock wave (SW) standard, because of the abundance of its highly accurate EOS and SW data, and the assumption that Cu is a simple one-phase material that does not exhibit high pressure (P) or high temperature (T) polymorphism. However, in 2014, Bolesta and Fomin detected another solid phase in molecular dynamics simulations of the shock compression of Cu, and in 2017 published the phase diagram of Cu having two solid phases, the ambient face-centered cubic (fcc) and the high-PT body-centered cubic (bcc) ones. Very recently, bcc-Cu has been detected in SW experiments, and a more sophisticated phase diagram of Cu with the two solid phases was published by Smirnov. In this work, using a suite of ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology, which combines both direct Z method for the simulation of melting curves and inverse Z method for the calculation of solid–solid phase boundaries, we refine the phase diagram of Smirnov. We calculate the melting curves of both fcc-Cu and bcc-Cu and obtain an equation for the fcc-bcc solid–solid phase transition boundary. We also obtain the thermal EOS of Cu, which is in agreement with experimental data and QMD simulations. We argue that, despite being a polymorphic rather than a simple one-phase material, copper remains a reliable pressure calibrant and EOS and SW standard.
We demonstrate the topological equivalence of the phase diagrams of molybdenum (Mo) and tungsten (W), Group 6B partners in the periodic table. The phase digram of Mo to 800 GPa from our earlier work is now extended to 2000 GPa. The phase diagram of W to 2500 GPa is obtained using a comprehensive ab initio approach that includes (i) the calculation of the T = 0 free energies (enthalpies) of different solid structures, (ii) the quantum molecular dynamics simulation of the melting curves of different solid structures, (iii) the derivation of the analytic form for the solid–solid phase transition boundary, and (iv) the simulations of the solidification of liquid W into the final solid states on both sides of the solid–solid phase transition boundary in order to confirm the corresponding analytic form. For both Mo and W, there are two solid structures confirmed to be present on their phase diagrams, the ambient body-centered cubic (bcc) and the high-pressure double hexagonal close-packed (dhcp), such that at T = 0 the bcc–dhcp transition occurs at 660 GPa in Mo and 1060 GPa in W. In either case, the transition boundary has a positive slope d T / d P .
The lockdown policies enacted in the spring of 2020, in response to the growing severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, have remained a contentious policy tool due to the variability of outcomes they produced for some populations. While ongoing research has illustrated the unequal impact of Coronavirus disease (COVID-19) on minority populations, research in this area has been unable to fully explain the mechanisms that produce these findings. To understand why some groups have been at greater risk of contracting COVID-19, we employ structural inequality theory to better understand how inequality may impact disease transmission in a pandemic. We used a novel approach that enabled us to focus on the microprocesses of structural inequality at the zip code level to study the impact of stay-at-home pandemic policies on COVID-19 positive case rates in an urban setting across three periods of policy implementation. We then analyzed data on traffic volume, income, race, occupation, and instances of COVID-19 positive cases for each zip code in Salt Lake County, Utah (USA) between 17 February 2020 and 12 June 2020. We found that higher income, percent white, and white-collar zip codes had a greater response to the local stay-at-home order and reduced vehicular traffic by nearly 50% during lockdown. The least affluent zip codes only showed a 15% traffic decrease and had COVID-19 rates nearly 10 times higher. At this level of granularity, income and occupation were both associated with COVID-19 outcomes across all three stages of policy implementation, while race was only predictive of outcomes after the lockdown period. Our findings illuminate underlying mechanisms of structural inequality that may have facilitated unequal COVID-19 incidence rates. This study illustrates the need for more granular analyses in policy research and adds to the literature on how structural factors such as income, race, and occupation contribute to disease transmission in a pandemic.
Silver has been considered as one of the simple one-phase materials that do not exhibit high pressure or high temperature polymorphism. The solid phase of Ag at ambient conditions is face-centered cubic (fcc) one. However, very recently another solid phase of silver, body-centered cubic (bcc) one, was detected in shock-wave (SW) experiments, and a more sophisticated phase diagram of Ag with the two solid phases was published by Smirnov. In this work, using a suite of ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology which combines both direct Z method for the simulation of melting curves and inverse Z method for the calculation of solid-solid phase boundaries, we refine the phase diagram of Smirnov. We calculate the melting curves of both fcc-Ag and bcc-Ag and obtain an equation for the fcc-bcc solid-solid phase transition boundary. We also obtain the thermal equation of state of Ag which is in agreement with experimental data and QMD simulations. We argue that, despite being a polymorphic rather than a simple one-phase material, silver can be considered as an SW standard.
Most use-of-force policies utilized by U.S. police agencies make fundamental ordinal assumptions about officers’ force responses to subject resistance. These policies consist of varying levels of force and resistance along an ordinally ranked continuum of severity. We empirically tested the ordinal assumptions that are ubiquitous to police use-of-force continua within the United States using 1 year’s use-of-force data from a municipal police department. Applying a quantitative technique known as categorical regression with optimal scaling, we found the assumptions of ordinality within the studied department’s use-of-force continuum (which is similar to many police use-of-force continua within the United States) are not met. Specifying physical force as a “lower” force option than less-lethal tools is associated with increased officer injury and decreased subject injury. Our findings call into question use-of-force continua featuring ordinal rankings for varying categories of less-lethal force.
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