Fine scales of decay of operator semigroups

Motivated by potential applications to partial differential equations, we develop a theory of fine scales of decay rates for operator semigroups. The theory contains, unifies, and extends several notable results in the literature on decay of operator semigroups and yields a number of new ones. Its core is a new operator-theoretical method of deriving rates of decay combining ingredients from functional calculus, and complex, real and harmonic analysis. It also leads to several results of independent interest.Comment: Version 2 includes numerous minor corrections, and is the authors' final version. The pape will be published in the Journal of the European Mathematical Society in April 201

Benefits of Breastfeeding

When a child is born, a mother can choose to breastfeed her infant or to use an alternative source of nutrition such as formula. To choose properly, the mother must be informed about the pros and cons of each method of feeding. This paper will elaborate on the process of breastfeeding and present some of the benefits that are conferred to both infant and mother through the act of breastfeeding, benefits that formula does not provide. Breastfeeding positively affects infants in both the short- and long-term by providing protection from infectious diseases, fostering the psychological bond with their mothers, and increasing cognitive development later in life. In addition, mothers benefit from choosing to breastfeed their infants by having a quicker delivery of the placenta, retaining less weight postpartum, and having a decreased risk of breast cancer. In conclusion, this paper will show that while formula does contain essential nutrients for infants, it does not provide the protective and curative benefits that breast milk does

Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems

textThe timescale of chemical reactions in solid-state systems greatly exceeds what may be modeled by direct integration of Newton's equation of motion. This limitation spawned the development of many different methods such as (adaptive) kinetic Monte Carlo (A)KMC, (harmonic) transition state theory (H)TST, parallel replica dynamics (PRD), hyperdynamics (HD), and temperature accelerated dynamics. The focus of this thesis was to (1) implement many of these methods in a single open-source software package (2) develop standard benchmarks to compare their accuracy and computational cost and (3) develop new long timescale methods. The lack of a open-source package that implements long timescale methods makes it difficult to directly evaluate the quality of different approaches. It also impedes the development of new techniques. Due to these concerns we developed Eon, a program that implements several long timescale methods including PRD, HD, and AKMC as well as global optimization algorithms basin hopping, and minima hopping. Standard benchmarks to evaluate the performance of local geometry optimization; global optimization; and single-ended and double-ended saddle point searches were created. Using Eon and several other well known programs, the accuracy and performance of different algorithms was compared. Important to this work is a website where anyone may download the code to repeat any of the numerical experiments. A new method for long timescale simulations is also introduced: molecular dynamics saddle search adaptive kinetic Monte Carlo (AKMC-MDSS). AKMC-MDSS improves upon AKMC by using short high-temperature MD trajectories to locate the important low-temperature reaction mechanisms of interest. Most importantly, the use of MD enables the development of a proper stopping criterion for the AKMC simulation that ensures that the relevant reaction mechanisms at the low temperature have been found. Important to the simulation of any material is knowledge of the experimental structure. Extended x-ray absorption fine structure (EXAFS) is a technique often used to determine local atomic structure. We propose a technique to quantitatively measure the accuracy of the commonly used fitting models. This technique reveals that the fitting models interpreted nanoparticles as being significantly more ordered and of much shorter bond length than they really are.Chemistr