V. Vinograd

发表

Probing structural homogeneity of La1-xGdxPO4 monazite-type solid solutions by combined spectroscopic and computational studies

S. Neumeier, P. Kowalski, D. Bosbach, 2017 .

Thermodynamics of mixing in an isostructural solid solution : 3 4 simulation methodologies and application to rutile-cassiterite system 5

B. Winkler, Xiancai Lu, V. Vinograd, 2015 .

Coupled Al/Si and O/N order/disorder in BaYb[Si4–xAlxOxN7–x]sialon

J. Gale, W. Schnick, E. Juarez-Arellano, 2007 .

Composition dependent order-disorder transition in NdxZr1−xO2−0.5x pyrochlores: A combined structural, calorimetric and ab initio modeling study

F. Brandt, P. Kowalski, A. Navrotsky, 2017 .

Incorporation of Europium into (Ba,Ca)2 (CO3)2

M. Etter, L. Bayarjargal, V. Vinograd, 2021, Journal of Solid State Chemistry.

Zr-containing layered double hydroxides: Synthesis, characterization, and evaluation of thermodynamic properties

F. Brandt, B. Winkler, D. Bosbach, 2018 .

Rare-Earth Orthophosphates From Atomistic Simulations

S. Neumeier, P. Kowalski, N. Marks, 2019, Front. Chem..

Elastic stiffness coefficients of thenardite and their pressure and temperature dependence

J. Gale, B. Winkler, V. Milman, 2012 .

Thermodynamic and Structural Modelling of Non-Stoichiometric Ln-Doped UO2 Solid Solutions, Ln = {La, Pr, Nd, Gd}

G. Modolo, D. Bosbach, A. Bukaemskiy, 2021, Frontiers in Chemistry.

Research for the Safe Management of Nuclear Waste at Forschungszentrum Jülich: Materials Chemistry and Solid Solution Aspects

F. Brandt, S. Neumeier, P. Kowalski, 2020, Advanced Engineering Materials.

Thermodynamic properties of MgSiO3 majorite and phase transitions near 660 km depth in MgSiO3 and Mg2SiO4: A first principles study

R. Angel, V. Vinograd, R. Wentzcovitch, 2011 .

The solid solution–aqueous solution system (Sr,Ba,Ra)SO4 + H2O: A combined experimental and theoretical study of phase equilibria at Sr-rich compositions

F. Brandt, D. Bosbach, J. Barthel, 2018, Chemical Geology.

Computer simulations of the Al-Si disorder in synthetic cordierites: Configuraltional entropy constrained by 29Si NMR data

V. Vinograd, 1996 .

Local structure of CuxZn2−xTiO4 inverse spinel

B. Winkler, V. Milman, V. Vinograd, 2014 .

Atomistic model of diopside-K-jadeite (CaMgSi2O6-KAlSi2O6) solid solution

J. Gale, L. Bindi, B. Winkler, 2010 .

Simulation study of Na-majorite

B. Winkler, V. Vinograd, A. Bobrov, 2009 .

Subsolidus phase relations in Ca2Mo2O8-NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulations.

J. Gale, B. Winkler, D. Bosbach, 2008, Physical chemistry chemical physics : PCCP.

Thermodynamics of mixing in rutile-stishovite solid solution from quantum-mechanical calculations

V. Vinograd, D.J. Wilson, 2008 .

Potassium-bearing clinopyroxene: a review of experimental, crystal chemical and thermodynamic data with petrological applications

L. Bindi, V. Vinograd, O. Safonov, 2011, Mineralogical Magazine.

(Ca,Sr)CO3 aqueous–solid solution systems: From atomistic simulations to thermodynamic modelling

D. Kulik, B. Winkler, V. Vinograd, 2010 .

A thermodynamic adsorption/entrapment model for selenium(IV) coprecipitation with calcite

J. Gale, B. Winkler, D. Bosbach, 2014 .

Coupled Al/Si and O/N order/disorder in BaYb[Si4–xAlxOxN7–x]sialon: neutron powder diffraction and Monte Carlo simulations

J. Gale, W. Schnick, E. Juarez-Arellano, 2007 .

High temperature elastic properties of Mg-cordierite: experimental studies and atomistic simulations

J. Schreuer, V. Vinograd, E. Haussühl, 2011 .

Reactivity of the calcite–water-interface, from molecular scale processes to geochemical engineering

M. Vučak, T. Neumann, U. Fischer, 2014 .

A two-dimensional spin model of Al/Si order in feldspars: visualization of short-range and long-range order

A. Putnis, V. Vinograd, 2001 .

Structural discontinuities in plagioclase and constraints on mixing properties of the low series: a computational study

A. Putnis, V. Vinograd, H. Kroll, 2001, Mineralogical Magazine.

The description of Al, Si ordering in aluminosilicates using the cluster variation method

V. Vinograd, 1999 .

An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System

B. Winkler, V. Vinograd, 2010 .

Thermodynamics of mixing and ordering in the diopside-jadeite system: I. A CVM model

V. Vinograd, 2002, Mineralogical Magazine.

Phase equilibria of (Mg,Fe)2SiO4 at the Earth's upper mantle conditions from first-principles studies

B. Winkler, V. Vinograd, R. Wentzcovitch, 2013 .

Substitution of [4]Al in layer silicates: Calculation of the Al-Si configurational entropy according to 29Si NMR Spectra

V. Vinograd, 1995 .

Thermodynamics of mixing and ordering in the diopside−jadeite system: II. A polynomial fit to the CVM results

V. Vinograd, 2002, Mineralogical Magazine.

Thermodynamics of the solid solution - Aqueous solution system (Ba,Sr,Ra)SO4 + H2O: II. Radium retention in barite-type minerals at elevated temperatures

F. Brandt, D. Kulik, B. Winkler, 2017, Applied Geochemistry.

Order/disorder phase transition in cordierite and its possible relationship to the development of symplectite reaction textures in granulites

A. Putnis, J. Gale, B. Winkler, 2007 .

Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions

A. Putnis, J. Gale, M. Sluiter, 2006 .

Configurational entropy of binary silicate solid solutions

V. Vinograd, 2001 .

Thermodynamics of mixing in diopside–jadeite, CaMgSi2O6–NaAlSi2O6, solid solution from static lattice energy calculations

J. Gale, B. Winkler, V. Vinograd, 2007 .

Thermodynamics of diopside-jadeite Thermodynamics of mixing in diopside-jadeite , CaMgSi 2 O 6-NaAlSi 2 O 6 , solid solution from static lattice energy calculations

J. Gale, B. Winkler, V. Vinograd, 2007 .

Thermodynamics of mixing in pyrope-grossular, Mg3Al2Si3O12-Ca3Al2Si3O12, solid solution from lattice dynamics calculations and Monte Carlo simulations

M. Sluiter, V. Vinograd, 2006 .

Thermodynamic properties of MgSiO$_3$ majorite and phase transitions near 660-km depth in MgSiO$_3$ and Mg$_2$SiO$_4$: a first principles study

R. Angel, V. Vinograd, R. Wentzcovitch, 2011 .

Thermodynamics of mixing in an isostructural solid solution: Simulation methodologies and application to the rutile-cassiterite system

B. Winkler, Xiancai Lu, V. Vinograd, 2016 .

Activity–composition relations in the system CaCO3–MgCO3 predicted from static structure energy calculations and Monte Carlo simulations

J. Gale, N. Allan, B. Winkler, 2007 .

Ion distribution models for defect fluorite ZrO2 - AO1.5 (A = Ln, Y) solid solutions: I. Relationship between lattice parameter and composition

P. Kowalski, A. Bukaemskiy, V. Vinograd, 2021 .

Pyrochlore Compounds From Atomistic Simulations

P. Kowalski, V. Vinograd, Mengli Sun, 2021, Frontiers in Chemistry.

Ion distribution models for defect fluorite ZrO2 - AO1.5 (A = Ln, Y) solid solutions: II. Thermodynamics of mixing and ordering

A. Bukaemskiy, V. Vinograd, 2021 .

Ion Distribution Models for Defect Fluorite Zro 2 - AO 1.5 (A = Ln, Y) Solid Solutions: I. Relationship between Lattice Parameter and Composition

P. Kowalski, A. Bukaemskiy, V. Vinograd, 2020 .

Thermodynamics of mixing in the ternary rhombohedral carbonate solid solution, (CaxMgy,Mn1−x−y)CO3, from atomistic simulations

B. Winkler, V. Vinograd, N. Paulsen, 2010 .

Solid–aqueous equilibrium in the BaSO4–RaSO4–H2O system: First-principles calculations and a thermodynamic assessment

F. Brandt, K. Refson, B. Winkler, 2013 .

A new BaCa(CO3)2 polymorph.

B. Winkler, L. Bayarjargal, V. Milman, 2019, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Using Ab Initio Calculations in the Calphad Environment

W. A. Oates, S. Fries, N. Dupin, 2001 .

Subsolidus phase relations in the CaCO3–MgCO3 system predicted from the excess enthalpies of supercell structures with single and double defects

M. Sluiter, B. Winkler, V. Vinograd, 2009 .

Thermodynamics of mixing and ordering in pyrope−grossular solid solution

A. Putnis, J. Gale, M. Sluiter, 2004, Mineralogical Magazine.

Thermodynamics of the solid solution - Aqueous solution system (Ba,Sr,Ra)SO 4 + H 2 O: I. The effect of strontium content on radium uptake by barite

F. Brandt, D. Kulik, B. Winkler, 2018 .

Simulation of ordered cationic distributions in aluminosilicates using stochastic processes

V. Vinograd, 1997 .

Emulation of short-range ordering within the Compound Energy Formalism: Application to the calcite-magnesite solid solution

D. Kulik, B. Winkler, Xiancai Lu, 2019, Calphad.

Informational Models for the Configurational Entropy of Regular Solid Solutions: Flat Lattices

V. Vinograd, L. Perchuk, 1996 .

Atomistic model of diopside-K-jadeite (CaMgSi 2 O 6 -KAlSi 2 O 6

J. Gale, L. Bindi, B. Winkler, 2010 .

Heat capacities of lanthanide and actinide monazite-type ceramics

Piotr M. Kowalski, George Beridze, Dirk Bosbach, 2015 .

Potassium-bearing clinopyroxene: thermodynamic models and application to the barometry of mantle assemblages

V. Vinograd, O. Safonov, L. Perchuk, 2008 .

Atomistic Simulations of Ceramic Materials Relevant for Nuclear Waste Management: Cases of Monazlte and Pyrochlore

Piotr M. Kowalski, George Beridze, Dirk Bosbach, 2016 .

Ab initio calculation of excess properties of La1−x(Ln,An)xPO4 solid solutions

Piotr M. Kowalski, Dirk Bosbach, Victor Vinograd, 2014 .

Calculation of the probability distribution of basic clusters involved in cluster-variation approximations to the Ising model

A. Putnis, S. Saxena, V. Vinograd, 1997 .

Monte Carlo simulation of mixing in Ca3Fe2Ge3O12–Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope–majorite solid solution

A. Putnis, J. Gale, V. Vinograd, 2006 .

Thermodynamics of pyrope–majorite, Mg3Al2Si3O12–Mg4Si4O12, solid solution from atomistic model calculations

A. Putnis, J. Gale, V. Milman, 2006 .

Computer simulation of Na-bearing majoritic garnet

B. Winkler, V. Vinograd, A. Bobrov, 2011 .

Calculation of the configurational entropy of Al, Si in layer silicates using the cluster variation method

A. Putnis, V. Vinograd, 1998 .

Thermodynamics of mixing in MgSiO3-Al2O3 perovskite and ilmenite from ab initio calculations

A. Oganov, O. Fabrichnaya, V. Vinograd, 2010 .

Thermodynamics of mixing in MgSiO 3 – Al 2 O 3 perovskite and ilmenite from ab initio calculations

A. Oganov, O. Fabrichnaya, V. Vinograd, 2010 .