# Haut PDF Spinodal decomposition in nuclear molecular dynamics

### Spinodal decomposition in nuclear molecular dynamics

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### Nuclear quantum effects in molecular dynamics simulations

**nuclear**quantum effects on the

**dynamics**of atoms, the path integral

**molecular**

**dynamics**(PIMD) method used since 1980s is based on the formalism developed by ...consists

**in**a ...

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### Molecular dynamics simulation of ballistic effects in simplified nuclear waste glasses

**in**best agreement with experimental ...Hence,

**in**order to make sure the simulated pristine glasses correspond to a minimum of the PE, a specific algorithm was ...applied.

**In**this algorithm, a ...

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### Theoretical gas to liquid shift of 15 N isotropic nuclear magnetic shielding in nitromethane using ab initio molecular dynamics and GIAO/GIPAW calculations

**in**a cubic box of 9.0 Å of length for a density value of 65 1.1 g.cm -3 at 298 K. A dynamical time step of 0.5 fs was employed for all runs, to ...

8

### Time-resolved Coulomb explosion imaging: a method to measure structure and dynamics of molecular nuclear wave packets

**in**the focus. Since the signals recorded

**in**our experiment represent an average over the entire focal vol- ume, they consist of contributions from all states ...it.

**In**the longitudinal ...

9

### Nuclear Dynamics in Polyatomic Molecules and High-Order Harmonic Generation

**molecular**geometry, no depletion of the ground-state occurs, and that the Born-Oppenheimer po- tential energy surfaces of both species are not affected by the laser ...

5

### Molecular dynamics simulation of energetic uranium recoil damage in zircon

**nuclear**waste and excess weapons plutonium

**in**a suitable ceramic host material is an urgent concern from the standpoint of environmental protection, national security, and ...of

**nuclear**...

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### Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulations, Neutron Diffraction and Nuclear Magnetic Resonance Studies

**In**the R = 1 glass series, according to previous studies of aluminosilicate glasses, 9,53–55 the variation of 678 can be interpreted

**in**terms of the Si/Al ...ppm,

**in**qualitative agreement ...

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### Molecular simulation of non-equilibrium methane Hydrate Decomposition.

**molecular**

**dynamics**simulations of the endothermic

**decomposition**of methane hydrate

**in**contact with water to phenomenologically study the role of mass and heat transfer

**in**the ...

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### Lattice dynamics in spin-crossover nanoparticles through nuclear inelastic scattering

**molecular**low-spin (LS) and high-spin (HS) states upon the application of an external stimulus such as temperature, pressure, intense magnetic field, or light ...volume

**in**the LS state, which implies a ...

6

### Adaptive-boost molecular dynamics simulation of carbon diffusion in iron

**Nuclear**Science and Engineering and Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA (Received 4 April 2011; revised manuscript ...

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### Non-equilibrium adiabatic molecular dynamics simulations of methane clathrate hydrate decomposition

**molecular**

**dynamics**simulations are used to study the

**decomposition**of methane clathrate hydrate

**in**contact with ...clathrate

**decomposition**is affected by heat and mass transfer ...

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### Surface-directed spinodal decomposition in hafnium silicate thin films

**Spinodal**

**decomposition**共SD兲 is a diffusional phase sepa- ration whereby a local composition fluctuation reduces the overall free energy of the ...1

**In**the bulk of a binary mixture ...

5

### Ultrafast electro-nuclear dynamics of H2 double ionization

**in**this con- figuration the two electrons can easily escape by tunnel ...shown

**in**Fig. 3(d). For t > 3.0 fs, the two electrons escape

**in**opposite directions since the ionization is now mainly ...

5

### Molecular dynamics, Monte Carlo simulations, and langevin dynamics: a computational review

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### Improved Adaptive Resolution Molecular Dynamics Simulation

**in**GROMACS, a

**molecular**

**dynamics**software, that runs

**in**parallel using the Message Passing Interface ...the

**Molecular**

**Dynamics**Group from the University of Groningen ...

5

### Study of nuclear receptor dynamics by BRET

**in**a majority (two thirds) of breast ...found

**in**the lumen of ducts and lobules

**in**the mammary gland ...subdivided

**in**two types, A and B by gene signatures identified from ...

266

### General molecular biology and architecture of nuclear receptors.: Transcriptional regulation by nuclear receptors

**in**yeast and subsequently characterized

**in**other eukaryotic ...role

**in**RNA polymerase II-controlled transcription [201] ...Mediator

**in**NR research gained momentum when it was ...

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### Quantum nuclear many-body dynamics and related aspects

**nuclear**SR-EDF formalism to the original existence theorems (Engel, 2007; Giraud, 2008; Messud et ...system.

**In**fact, the appearance of symmetry-breaking solutions

**in**

**nuclear**EDF ...

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### Mössbauer characterisations and magnetic properties of iron cobaltites CoxFe3−xO4 (1 ≤ x ≤ 2.46) before and after spinodal decomposition

**in**the external-ﬁeld spectrum of that compound are ...occur

**in**ferrimagnetic substances, whereby the individual spins of the sublattice with the larger net magnetic moment order parallel to the ...

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