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We describe a new local grand canonical Monte Carlo method to treat fluids in pores in chemical equilibrium with a reference bulk. The method is applied to Lennard-Jones particles in pores of different geometry and is shown to be much more accurate and efficient than other techniques such as traditional grand canonical simulations or Widom's particle insertion method. It utilizes a penalty potenti
High frame rate ultrasound imaging is necessary to enable tracking of rapid dynamic events such as the carotid pulse wave velocity. Several studies have shown that it is feasible to use motion tracking methods that are applied on standard ultrasound frame rates also on very high frame rates. However, few studies have addressed the issue of accumulated tracking errors over vast numbers of frames du
Confinement or geometric frustration is known to alter the structure of soft matter, including copolymeric melts, and can consequently be used to tune structure and properties. Here we investigate the self-assembly of ABC and ABB 3-miktoarm star copolymers confined to a spherical shell using coarse-grained dissipative particle dynamics simulations. In bulk and flat geometries the ABC stars form he
The Mo/Cu-dependent CO dehydrogenase from O. carboxidovorans is an enzyme that is able to catalyse CO oxidation to CO2; moreover, it also expresses hydrogenase activity, as it is able to oxidize H2. Here, we have studied the dihydrogen oxidation catalysis by this enzyme using QM/MM calculations. Our results indicate that the equatorial oxo ligand of Mo is the best suited base for catalysis. Moreov
High-performance photodetectors operating in the near-infrared (0.75–1.4 μm) and short-wave infrared (1.4–3.0 μm) portion of the electromagnetic spectrum are key components in many optical systems. Here, we report on a combined experimental and theoretical study of square millimeter array infrared photodetectors comprising 3 million n+–i–n+ InP nanowires grown by MOVPE from periodically ordered Au
The concept of exploitation and potentially exploitative real-world practices are the subject of increasing philosophical attention. However, while philosophers have extensively debated what exploitation is and what makes it wrong, they have said surprisingly little about what might be required to remediate it. By asking how the consequences of exploitation should be addressed, this article seeks
In view of the significance, complexity, and difficulty of micromixing in viscous system, coaxial mixers with wide adaptability to viscosity are first combined with micromixing. The effects of feeding position, rotation mode, and impeller type on the micromixing performance of coaxial mixers are investigated numerically with the standard engulfment model and eddy dissipation concept model, and a d
Increase in surface water color (browning), caused by rising dissolved organic carbon (DOC) and iron concentrations, has been widely reported and studied in the last couple of decades. This phenomenon has implications to aquatic ecosystem function and biogeochemical carbon cycling. While recovery from acidification and changes in climate-related variables, such as precipitation and length of growi
Ammonia (NH3) is currently in the spotlight because of its potential in serving as an energy resource devoid of carbon. Combustion of NH3, however, presents several drawbacks, such as high ignition temperature, low flame speed, and high NOx emissions. Furthermore, although dual-fuel approaches may provide a solution for some of these problems, scarcity of information on the resulting emissions inh
The term “history of knowledge” has gained traction in recent years. This forum section seeks to explore a prominent concept in this new field—circulation—as well as to demonstrate the value of studying knowledge circulation for the history of humanities. While the study of the transmission of knowledge has been pursued in adjacent fields, such as the history of science or media studies, it is arg
The purpose of this essay is to demonstrate how a new history of the postwar humanities could be written. Drawing on approaches from the history of knowledge and other adjacent fields, it outlines a study of the conditions of the circulation of knowledge in the public sphere during the 1960s and 1970s. By introducing “arena of knowledge” as an analytical concept, the essay highlights certain media
Management of the constructed facility has often been an afterthought among the professions and disciplines in the real estate and construction industries. Consequently, too many facilities fail to meet their operational requirements to the full. Briefing has been defined as the process of identifying and analysing the needs, aims and constraints (i.e. the resources and the context) of the client
Introduction: A new grading of exercise capacity during bicycle stress testing has been proposed in Sweden based on the new reference material (‘the Kalmar material’), which has not been validated. We aimed to examine the prognostic information of the new grading of exercise capacity during exercise stress testing. Methods: Data on all bicycle exercise tests performed at the Department of Clinical
This thesis is built around an observational study of a class at an elite school. The study follows the class through their upper secondary school education (ages 16-19), focusing on social science lessons. I have used ethnographic methodology to describe and problematize how social science and value-based ambitions of equality conflict with the student role of superiority cultivated at this schoo
