(Press-News.org) Computer simulations play an increasingly important role in the description and development of new materials. Yet, despite major advances in computer technology, the simulations in statistical physics are typically restricted to systems of up to a few 100,000 particles, which is many times smaller than the actual material quantities used in typical experiments. Researchers therefore use so-called finite-size corrections in order to adjust the results obtained for comparatively small simulation systems to the macroscopic scale. A team of researchers from Johannes Gutenberg University Mainz (JGU) has now succeeded in better understanding how this technique works when it is used to assess interfacial tension, thus enabling more accurate predictions.
The interfacial tension is an important physical quantity of many phenomena, such as the nucleation of water droplets in the atmosphere, the crystallization of proteins from solutions, and the growth and stability of nanocrystals. It occurs at the interface between different phases of a material, i.e., on the transition between solid, liquid, and gaseous phases. However, the interfacial tension is difficult to measure experimentally, and reliable analytical theories about it are also lacking. Thus it is of particular importance to develop computer simulation techniques for this phenomenon.
Using an innovative simulation method, Fabian Schmitz, Dr. Peter Virnau, and Professor Kurt Binder of the Condensed Matter Theory group at JGU's Institute of Physics have now succeeded in gaining a better understanding of the nature of finite-size corrections in the determination of interfacial tension. This work, achieved only after several million CPU hours on the Mainz supercomputer MOGON, will in the future help researchers to analyze interfacial tension with the highest precision by means of simulations. The results were published in the leading journal Physical Review Letters.
High-performance computing becomes increasingly important at Johannes Gutenberg University Mainz. The planned new supercomputer MOGON II is expected to replace the current system in the first quarter of 2016. It is expected that MOGON II will be among the top 100 fastest high-performance computers worldwide.
INFORMATION:
Illustration:
http://www.uni-mainz.de/bilder_presse/08_physik_komet_grenzflaechen.jpg
At coexistence, the crystal (red) and the fluid (blue) are separated by interfaces. The simulation box shown here contains 3,660 hard sphere particles. Using periodic boundary conditions and finite-size scaling (systematic variation of the box size), computer simulations allow high precision measurements of the interfacial tension.
source: Fabian Schmitz, Institute of Physics, JGU
Publication:
Fabian Schmitz, Peter Virnau, Kurt Binder
Determination of the Origin and Magnitude of Logarithmic Finite-Size Effects on Interfacial Tension: Role of Interfacial Fluctuations and Domain Breathing
Physical Review Letters, 26 March 2014
DOI: 10.1103/PhysRevLett.112.125701
Improved computer simulations enable better calculation of interfacial tension
Researchers from Mainz University identify novel mechanisms of logarithmic finite-size corrections relevant to the determination of interfacial tension
2014-05-20
ELSE PRESS RELEASES FROM THIS DATE:
Particles near absolute zero do not break the laws of physics after all
2014-05-20
In theory, the laws of physics are absolute. However, when it comes to the laws of thermodynamics—the science that studies how heat and temperature relate to energy—there are times where they no longer seem to apply. In a paper recently published in EPJ B, Robert Adamietz from the University of Augsburg, Germany, and colleagues have demonstrated that a theoretical model of the environment's influence on a particle does not violate the third law of thermodynamics, despite appearances to the contrary. These findings are relevant for systems at the micro or nanometer scale ...
Busting rust with light: New technique safely penetrates top coat for perfect paint job
2014-05-20
WASHINGTON, May 20, 2014 – To keep your new car looking sleek and shiny for years, factories need to make certain that the coats of paint on it are applied properly. But ensuring that every coat of paint—whether it is on a car or anything else—is of uniform thickness and quality is not easy.
Now researchers have developed a new way to measure the thickness of paint layers and the size of particles embedded inside. Unlike conventional methods, the paint remains undamaged, making the technique useful for a variety of applications from cars to artifacts, cancer detection ...
Pine bark substance could be potent melanoma drug
2014-05-20
A substance that comes from pine bark is a potential source for a new treatment of melanoma, according to Penn State College of Medicine researchers.
Current melanoma drugs targeting single proteins can initially be effective, but resistance develops relatively quickly and the disease recurs. In those instances, resistance usually develops when the cancer cell's circuitry bypasses the protein that the drug acts on, or when the cell uses other pathways to avoid the point on which the drug acts.
"To a cancer cell, resistance is like a traffic problem in its circuitry," ...
Flu vaccines in schools limited by insurer reimbursement
2014-05-20
AURORA, Colo. (May 20, 2014) – School-based influenza vaccine programs have the potential to reach many children at affordable costs and with parental support, but these programs are limited by low rates of reimbursement from third-party payers, according to recently published study results by researchers from the University of Colorado School of Medicine.
A school-based flu vaccine program in the Denver Public Schools was effective at reaching nearly one-third of the students, but billing and reimbursement issues posed significant problems for administrators of the program.
"The ...
Study shows how streptococcal bacteria can be used to fight colon cancer
2014-05-20
Researchers at Western University (London, Canada) have shown how the bacteria primarily responsible for causing strep throat can be used to fight colon cancer. By engineering a streptococcal bacterial toxin to attach itself to tumour cells, they are forcing the immune system to recognize and attack the cancer.
Kelcey Patterson, a PhD Candidate at Western and the lead author on the study, showed that the engineered bacterial toxin could significantly reduce the size of human colon cancer tumours in mice, with a drastic reduction in the instances of metastasis. By using ...
Parents of overweight kids more likely to give schools failing grades for fighting obesity
2014-05-20
ANN ARBOR, Mich. – Parents – especially those of overweight children – give schools a failing grade for efforts to encourage healthy habits that combat childhood obesity, according to a new poll from the University of Michigan.
According to the latest University of Michigan C.S. Mott Children's Hospital National Poll on Children's Health, parents with at least one overweight child (25 percent of all parents in the poll) were more likely to give schools a failing grade of D or F for obesity-related efforts than parents of normal-weight children.
Parents of overweight ...
Simulated learning in medical education improves patient care and outcomes
2014-05-20
MAYWOOD, Ill. -- The use of simulation techniques in medical education, such as lifelike mannequins and computer systems, results in improved patient care, better outcomes and other benefits, according to a study led by a Loyola University Chicago Stritch School of Medicine researcher.
William C. McGaghie, PhD, and colleagues analyzed 23 medical education studies that measured the effects of simulation-based mastery learning (SBML). A qualitative synthesis of these studies found that SBML improved outcomes in four areas: the educational laboratory, patient care practices, ...
Cost-saving, coordinated brain care model for older adults attracting nationwide interest
2014-05-20
INDIANAPOLIS -- The patient and caregiver-centered Aging Brain Care program, developed by researchers at the Regenstrief Institute and the Indiana University Center for Aging Research, is attracting nationwide interest for its ability to improve health outcomes and quality of care for those with cognitive impairment while dramatically lowering costs to patients and health care systems.
On May 22 and 23, a team of physicians and nurse managers from the Geisel School of Medicine at Dartmouth and the Dartmouth-Hitchcock Medical Center will visit Indianapolis and Lafayette, ...
Students swayed by 'relaxing, fun' image of hookah smoking ignore health harms
2014-05-20
PITTSBURGH, May 20, 2014 – Educational campaigns meant to dissuade college students from initiating hookah tobacco smoking may be more successful if they combat positive perceptions of hookah use as attractive and romantic, rather than focusing solely on the harmful components of hookah tobacco smoke, a new University of Pittsburgh School of Medicine study found.
The research, supported by the National Cancer Institute, examined the sequence of events around which university students first smoke tobacco from a hookah, also known as a water pipe, in an effort to determine ...
Women repeatedly short-changed in case of premature ejaculation
2014-05-20
Premature ejaculation is one of the most common sexual disorders in men. But it is not just the men who suffer; it also causes increased psychological strain and stress in women, as a new survey conducted by Andrea Burri, a clinical psychologist at the University of Zurich, reveals. Around 40 percent of over 1,500 women polled from Mexico, Italy and South Korea indicated that ejaculation control is very important for satisfactory intercourse. It is not the short duration of the act of lovemaking that is primarily regarded as the main source of sexual frustration by the ...
LAST 30 PRESS RELEASES:
Multiple sclerosis drug may help with poor working memory
The MIT Press releases workshop report on the future of open access publishing and policy
Why substitute sugar with maple syrup?
New study investigates insecticide contamination in Minnesota’s water
The Einstein Foundation Berlin awards €500,000 prize to advance research quality
Mitochondrial encephalopathy caused by a new biallelic repeat expansion
Nanoplastics can impair the effect of antibiotics
Be humble: Pitt studies reveal how to increase perceived trustworthiness of scientists
Promising daily tablet increases growth in children with dwarfism
How 70% of the Mediterranean Sea was lost 5.5 million years ago
Keeping the lights on and the pantry stocked: Ensuring water for energy and food production
Parkinson’s Paradox: When more dopamine means more tremor
Study identifies strategy for AI cost-efficiency in health care settings
NIH-developed AI algorithm successfully matches potential volunteers to clinical trials release
Greg Liu is in his element using chemistry to tackle the plastics problem
Cocoa or green tea could protect you from the negative effects of fatty foods during mental stress - study
A new model to explore the epidermal renewal
Study reveals significant global disparities in cancer care across different countries
Proactively screening diabetics for heart disease does not improve long-term mortality rates or reduce future cardiac events, new study finds
New model can help understand coexistence in nature
National Poll: Some parents need support managing children's anger
Political shadows cast by the Antarctic curtain
Scientists lead study on ‘spray on, wash off’ bandages for painful EB condition
A new discovery about pain signalling may contribute to better treatment of chronic pain
Migrating birds have stowaway passengers: invasive ticks could spread novel diseases around the world
Diabetes drug shows promise in protecting kidneys
Updated model reduces liver transplant disparities for women
Risk of internal bleeding doubles when people on anticoagulants take NSAID painkiller
‘Teen-friendly’ mindfulness therapy aims to help combat depression among teenagers
Innovative risk score accurately calculates which kidney transplant candidates are also at risk for heart attack or stroke, new study finds
[Press-News.org] Improved computer simulations enable better calculation of interfacial tensionResearchers from Mainz University identify novel mechanisms of logarithmic finite-size corrections relevant to the determination of interfacial tension