Sentences with word «atomistic»

In this work, a harmonic lattice dynamics and scattering boundary method based atomistic modeling tool was created to calculate phonon spectra and modal phonon transmission coefficients in nano - phononic structures and diameter - modulated nanowires.

Van der Waals forces are weak atomistic level forces, «but geckos are able to take advantage of them because of a remarkable system of branched hairs called «seta» on their toes,» Greaney explained.

With the breakdown of legitimate bases of solidarity, men, and especially young men, could not remain satisfied with the amorphous heterogeneity of atomistic individualism.

«Our group is currently working on determining the high resolution molecular structures of the truncated prion protein variants associated with familial human CAA in order to gain a complete atomistic understanding of the factors underlying their transmission, and the present study is a major stepping stone in this effort,» Jaroniec said.

In atomistic views, the ego or «self» is viewed as containing all the resources needed to effect its own salvation through insight into the dilemmas of the self.

So, for their study, the group relied on atomistic simulations using the molecular dynamics technique.

The Laboratory's supercomputers were able to perform the first atomistic simulations of the entire MexAB - OprM pump embedded within a double membrane system on a microsecond time scale.

Atomistic views of man will no longer serve, not because we dislike them but because they are not accurate statements of a truth which is known to us in our deepest human existence.

The research, led by Jeremy Smith, a Governor's Chair at the University of Tennessee (UT) and director of the UT - ORNL Center for Molecular Biophysics, revealed in atomistic detail why lignin is such a problem: Not only does it bind to cellulose in the preferred locations sought by enzymes, but lignin also attracts and occupies the cellulose - binding domain of the enzymes themselves.

These two termini, however, do not operate as atomistic elements, one applying to the defendant and the other to the plaintiff, that the law simply adds together.

«Radiation Tolerance of Ceramics - Insights from Atomistic Simulation of Damage Accumulation in Pyrochlores.»

He and his colleagues used atomistic computer simulations to model potential outcomes when pressurizing two honeycomb layers of graphene aligned in different configurations.

Nevertheless, influenced by more atomistic modes of thinking inherited from the Greeks, many Christians came to think of the self as a soul isolated from the body and cut off from the world by the boundaries of the skin, an immortal substance in a perishable body.

Both writers reject atomistic conceptions of reality and epistemological foundations.

«People aren't just atomistic individuals bouncing around in a free market; they are members of communities with attachments to faith, family, and civic associations that give their lives meaning.»

The team's experimental observations were upheld through computational chemistry, which provided a detailed atomistic description of the reaction mechanism.

If Christians could come to see that we can not understand the saving work of God within us, the incarnation of God in the world, the presence of the Holy Spirit, or the character of the Christian life apart from a doctrine of mutual indwelling that is irreconcilable with atomistic individualism and all its works, we could have powerful leverage to liberate us from oppressive canalizations of thought and practice.

Traditional atomistic calculation methods involve a heavy computational workload, which sometimes prevents their application to systems large enough to model the experimental structural complexity of real samples.

The mechanism whereby silica (SiO2) is transformed into coesite, which was poorly understood by the scientific community, has now been elucidated by atomistic computer simulation in a study conducted by researchers affiliated with the University of São Paulo (USP) in Brazil; the Chinese Academy of Sciences in Hefei, China; and the Abdus Salam International Center for Theoretical Physics in Trieste, Italy.

It would be quite interesting to further explore the underlying atomistic mechanisms of the nucleation and growth of high entropy alloy nanoparticle,» says Reza Shahbazian - Yassar, associate professor at the University of Illinois at Chicago and a corresponding author of the paper.

Toward the rational design of RO membranes, we performed contrast - variation neutron scattering measurements and atomistic molecular dynamics (MD) simulations on polyamide / water systems with various water contents and deuteration ratios.

Whitehead's standard for what the self - identity of an actual entity must be is so atomistic and Parmenidean that nothing we can conceivably identify in experience will fulfill it.

For the term of their own becoming, they are radically atomistic, but precisely in this phase of their becoming their experience is isolated.

Originating in opposition to atomistic behavioral psychology, Wolfgang Koehler's theory introduced the category of form (Gestalt) to enlighten the understanding of the transverse functions in the nervous system.

In their presence, I realized how atomistic many prayers are.

Believing that Newton told us the truth about how the world works, we modeled our institutions on atomistic principles.

Actuality is, as Whitehead formulates it, incurably atomistic (cf. PR 235/359; also 35ff.

For us as Americans, Locke's ambiguity may have been fortunate, for it allowed biblical Christianity and classical republicanism to coexist with what we might call radical liberalism, that is, secular atomistic individualism.

The Republican Party, and apparently Mitt Romney, too, has shifted over toward a much more hyper - individualistic and atomistic social view — from the Reaganesque language of common citizenship to the libertarian language of makers and takers.

They presented the intrinsic molecular characteristics of the slip phenomena by using atomistic nonequilibrium molecular dynamics simulations of polyethylene melts under shear flow.

In addition, by means of molecular dynamics simulations, they could provide atomistic detail of the underlying mechanism.

They rejected and attacked the prevailing atomistic, or reductionist, approaches to perception.

The developed atomistic model paves the way to study the effect of different stacking fault distributions and engineering defects to tailor material properties.»

A comparison of results obtained with both methods shows that a simple two - dimensional linear - elasticity model is able to reproduce quantitatively the low - frequency part of the band structure obtained from computationally much more demanding molecular dynamics simulations of a three - dimensional atomistic model.

INL has also supported advanced analytical methods for prediction of the behavior of solid - state materials at the operating conditions of SOECs, including atomistic modeling methods [3].

In these and a number of smaller applied projects, we integrate atomistic - molecular modeling with a wide array of experimental and analytical approaches to quantify the properties of interfacial and pore - confined fluids, reaction rates and mechanisms at fluid - solid interfaces, and transport of solvents and solutes through porous media at the nano - to macroscopic length scales.