نتایج جستجو برای: melting point

تعداد نتایج: 547590  

Journal: :The Journal of chemical physics 2013
Qi-Jun Hong Axel van de Walle

We propose an efficient and accurate scheme to calculate the melting point (MP) of materials. This method is based on the statistical analysis of small-size coexistence molecular dynamics simulations. It eliminates the risk of metastable superheated solid in the fast-heating method, while also significantly reducing the computer cost relative to the traditional large-scale coexistence method. U...

Journal: :International journal of hyperthermia : the official journal of European Society for Hyperthermic Oncology, North American Hyperthermia Group 2014
Ali Dabbagh Basri Johan Jeet Abdullah Noor Hayaty Abu Kasim Chanthiriga Ramasindarum

PURPOSE The emergence of thermal modalities has promoted the use of heat-sensitive phantoms for calibration, measurement, and verification purposes. However, development of durable phantoms with high precision ability to represent the temperature distribution remains a challenge. This study aims to introduce a reusable phantom that provides an accurate assessment of the heated region in various...

2014
Jenny Suckale John D. Platt Thibaut Perol James R. Rice

Flow of glacial ice in the West Antarctic Sheet localizes in nar-3 row bands of fast flowing ice streams bordered by ridges of nearly stagnant 4 ice, but our understanding of the physical processes that generate this mor-5 phology is incomplete. Here, we study the thermal and mechanical proper-6 ties of ice-stream margins, where flow transitions from rapid to stagnant over 7 a few kilometers. O...

2010
Eddy Walther

Hansen and coworkers (Zhang, L; Hansen, E. W.; Helland, I; Hinrichsen, E.; Larsen, Aa.; Roots, J. Macromolecules, 2009, 42 (14), 5189-5195) recently reported on the room temperature crystallinity of a series of ethene-1-hexene copolymers using solid-state 1 H-NMR FID analysis. However, due to the required 10 s blanking time of the receiver vital information in the initial part of the FID was l...

Journal: :The journal of physical chemistry. B 2011
Yu Ma Cheng Li Tao Cai Juan Li Wenbing Hu

Block junctions are the topological constraints of connecting two homopolymers of different species to form diblock copolymers, which make the phase transition behaviors of diblock copolymers deviate from that of parallel polymer blends. We performed dynamic Monte Carlo simulations of these two parallel polymeric systems to compare their behaviors in the interplay of phase transitions. The resu...

Journal: :Journal of the American Chemical Society 2010
Vincent A Voelz Gregory R Bowman Kyle Beauchamp Vijay S Pande

To date, the slowest-folding proteins folded ab initio by all-atom molecular dynamics simulations have had folding times in the range of nanoseconds to microseconds. We report simulations of several folding trajectories of NTL9(1-39), a protein which has a folding time of approximately 1.5 ms. Distributed molecular dynamics simulations in implicit solvent on GPU processors were used to generate...

Journal: :Environmental Health Perspectives 1994
L Lang

Beryllium is the fourth element in the periodic table and the second lightest metal known. Discovered as an oxide in 1798 by the French chemist L. N. Vauquelin, beryllium was first isolated in 1828, when it was called "glucinium" owing to the sweet taste of its salts. Beryllium is the lightest of all solid, chemically stable substances and has an unusually high melting point (12870C). Silver gr...

Journal: :Zeitschrift fur Naturforschung. Teil B, Chemie, Biochemie, Biophysik, Biologie und verwandte Gebiete 1967
J Tohá J Edards A Aguilera E Colombara

Experiments are described, showing that DNA solutions with lithium chloride present a hypochromicity, which increases with the molarity of the salt. Different absorbancy versus temperature curves are obtained for different solutions, and it is found that the melting point (Tm) increases with the lithium chloride concentration. When cooling the samples, the absorbancy decreases in a symmetric wa...

Journal: :Journal of the American Society for Mass Spectrometry 2007
Colleen M Neal Anne K Starace Martin F Jarrold

Calorimetry measurements have been used to probe the melting of aluminum cluster cations with 63 to 83 atoms. Heat capacities were determined as a function of temperature (from 150 to 1050 K) for size-selected cluster ions using an approach based on multicollision-induced dissociation. The experimental method is described in detail and the assumptions are critically evaluated. Most of the alumi...

2017
Kai Sotthewes Pantelis Bampoulis Harold J W Zandvliet Detlef Lohse Bene Poelsema

The classic regelation experiment of Thomson in the 1850s deals with cutting an ice cube, followed by refreezing. The cutting was attributed to pressure-induced melting but has been challenged continuously, and only lately consensus emerged by understanding that compression shortens the O:H nonbond and lengthens the H-O bond simultaneously. This H-O elongation leads to energy loss and lowers th...

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