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626 Results Found

  • Article
  • Open Access
947 Views
15 Pages

22 November 2024

The extended noncommutative modified KP (exncmKP) hierarchy is firstly constructed, which gives rise to two types of the ncmKP equation with self-consistent sources (ncmKPESCSs). Then, the noncommutative (NC) Miura transformation between the extended...

  • Article
  • Open Access
903 Views
13 Pages

26 November 2024

The symmetry for two-dimensional (2D) dispersionless Toda lattice hierarchy (dTLH) is firstly derived, and then the 2D dTLH is extended based on the symmetry constraint. The commutativity of two different flows for this new hierarchy is shown, which...

  • Article
  • Open Access
11 Citations
2,911 Views
11 Pages

Role of Al in the Solution Strengthening of Mg–Al Binary Alloys

  • Tingting Liu,
  • Yanglu Liu,
  • Lu Xiao,
  • Shibo Zhou and
  • Bo Song

4 January 2022

Mg–Al binary alloys in the concentration range from 0 to 4.0 wt.% Al have been prepared under conventional casting conditions. The as-cast Mg and Mg–Al alloys after solution treatment were processed via hot extrusion at 350 °C. The re...

  • Letter
  • Open Access
10 Citations
5,519 Views
11 Pages

A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper 2001 (J. Phys. B). Dual channel, quasi-independent non-linear optimization of these quotients is found to yie...

  • Article
  • Open Access
308 Views
24 Pages

14 November 2025

Nonlinear evolution equations play a key role in modeling various physical processes, such as wave propagation in nonlinear optical and hydrodynamic media, as well as in the dynamics of plasma and quantum systems. In this paper, we study an integrabl...

  • Article
  • Open Access
1,813 Views
27 Pages

Quantum Transport in GFETs Combining Landauer–Büttiker Formalism with Self-Consistent Schrödinger–Poisson Solutions

  • Modesto Herrera-González,
  • Jaime Martínez-Castillo,
  • Pedro J. García-Ramírez,
  • Enrique Delgado-Alvarado,
  • Pedro Mabil-Espinosa,
  • Jairo C. Nolasco-Montaño and
  • Agustín L. Herrera-May

The unique properties of graphene have allowed for the development of graphene-based field-effect transistors (GFETs) for applications in biosensors and chemical devices. However, the modeling and optimization of GFET performance exhibit great challe...

  • Article
  • Open Access
1,665 Views
15 Pages

Charge Critical Phenomena in a Field Heterostructure with Two-Dimensional Crystal

  • Alexander L. Danilyuk,
  • Denis A. Podryabinkin,
  • Victor L. Shaposhnikov and
  • Serghej L. Prischepa

6 April 2024

The charge properties and regularities of mutual influence of the electro-physical parameters in a metal (M)/insulator (I)/two-dimensional crystal heterostructure were studied. In one case, the transition metal dichalcogenide (TMD) MoS2 was considere...

  • Article
  • Open Access
8 Citations
1,737 Views
14 Pages

9 July 2024

This paper describes an application of a machine learning approach for parameter optimization. The method is demonstrated for the elasto-viscoplastic model with both isotropic and kinematic hardening. It is shown that the proposed method based on lon...

  • Article
  • Open Access
27 Citations
4,324 Views
16 Pages

Self-Consistent Mean Field Calculations of Polyelectrolyte-Surfactant Mixtures in Solution and upon Adsorption onto Negatively Charged Surfaces

  • Eduardo Guzmán,
  • Laura Fernández-Peña,
  • Gustavo S. Luengo,
  • Ana María Rubio,
  • Antonio Rey and
  • Fabien Léonforte

9 March 2020

Self-Consistent Mean-Field Calculations (SCF) have provided a semi-quantitative description of the physico-chemical behavior of six different polyelectrolyte-surfactant mixtures. The SCF calculations performed showed that both the formation of polyme...

  • Article
  • Open Access
8 Citations
2,541 Views
17 Pages

20 January 2022

The paper deals with a new approach to iterative solving the Schrödinger and Poisson equations in the first type of semiconductor superlattice. Assumptions of the transfer matrix method are incorporated into the approach, which allows to take in...

  • Article
  • Open Access
2,874 Views
7 Pages

22 October 2021

The solvation effect is an important factor determining the properties of molecules in solution. The reference interaction site model (RISM) is a powerful method to treat the solvation effect with pair-correlation functions, such as a radial distribu...

  • Article
  • Open Access
55 Citations
10,908 Views
23 Pages

An Overview of Self-Consistent Field Calculations Within Finite Basis Sets

  • Susi Lehtola,
  • Frank Blockhuys and
  • Christian Van Alsenoy

A uniform derivation of the self-consistent field equations in a finite basis set is presented. Both restricted and unrestricted Hartree–Fock (HF) theory as well as various density functional approximations are considered. The unitary invarianc...

  • Article
  • Open Access
4 Citations
4,447 Views
24 Pages

RuSseL: A Self-Consistent Field Theory Code for Inhomogeneous Polymer Interphases

  • Constantinos J. Revelas,
  • Aristotelis P. Sgouros,
  • Apostolos T. Lakkas and
  • Doros N. Theodorou

In this article, we publish the one-dimensional version of our in-house code, RuSseL, which has been developed to address polymeric interfaces through Self-Consistent Field calculations. RuSseL can be used for a wide variety of systems in planar and...

  • Article
  • Open Access
5 Citations
2,664 Views
13 Pages

21 January 2023

We developed a 3D, fully self-consistent model for analysis of the ultrashort THz unipolar pulse formation accompanied by its amplification in a nonequilibrium plasma channel induced in nitrogen by a femtosecond UV laser pulse. The model is based on...

  • Article
  • Open Access
3 Citations
2,956 Views
18 Pages

Ulysses Flyby in the Heliosphere: Comparison of the Solar Wind Model with Observational Data

  • Evgeniy V. Maiewski,
  • Helmi V. Malova,
  • Victor Yu. Popov and
  • Lev M. Zelenyi

A model capable of reproducing a set of solar wind parameters along the virtual spacecraft orbit out of an ecliptic plane has been developed. In the framework of a quasi-stationary axisymmetric self-consistent MHD model the spatial distributions of m...

  • Article
  • Open Access
26 Citations
4,356 Views
28 Pages

Crystallization of Supercooled Liquids: Self-Consistency Correction of the Steady-State Nucleation Rate

  • Alexander S. Abyzov,
  • Jürn W. P. Schmelzer,
  • Vladimir M. Fokin and
  • Edgar D. Zanotto

16 May 2020

Crystal nucleation can be described by a set of kinetic equations that appropriately account for both the thermodynamic and kinetic factors governing this process. The mathematical analysis of this set of equations allows one to formulate analytical...

  • Article
  • Open Access
4 Citations
3,249 Views
6 Pages

A fractional calculus concept is considered in the framework of a Volterra type integro-differential equation, which is employed for the self-consistent description of the high-gain free-electron laser (FEL). It is shown that the Fox H-function is th...

  • Comment
  • Open Access
2,156 Views
3 Pages

26 August 2020

It is shown that in the growth region (above the critical nucleation size) the transient distributions obtained numerically from the Becker-Döring equation (BDE) by Abyzov et al., Entropy 2020, 22, 558, are in accurate correspondence with the ma...

  • Article
  • Open Access
5 Citations
2,436 Views
15 Pages

On Solutions of an Extended Nonlocal Nonlinear Schrödinger Equation in Plasmas

  • Yehui Huang,
  • Hongqing Jing,
  • Min Li,
  • Zhenjun Ye and
  • Yuqin Yao

5 July 2020

The parity-time symmetric nonlocal nonlinear Schrödinger equation with self-consistent sources (PTNNLSESCS) is used to describe the interaction between an high-frequency electrostatic wave and an ion-acoustic wave in plasmas. In this paper, the...

  • Article
  • Open Access
13 Citations
4,438 Views
19 Pages

Is Accurate Synoptic Altimetry Achievable by Means of Interferometric GNSS-R?

  • Fran Fabra,
  • Estel Cardellach,
  • Serni Ribó,
  • Weiqiang Li,
  • Antonio Rius,
  • Juan Carlos Arco-Fernández,
  • Oleguer Nogués-Correig,
  • Jaan Praks,
  • Erkka Rouhe and
  • Manuel Martín-Neira
  • + 1 author

2 March 2019

This paper evaluates the capability of interferometric global navigation satellite system reflectometry (GNSS-R) to perform sea surface altimetry in a synoptic scenario. Such purpose, which requires the combination of the results from different GNSS...

  • Article
  • Open Access
10 Citations
3,259 Views
14 Pages

The origin of the pseudogap and superconducting behaviors in high-Tc superconductors is proposed, based on the picture of Euclidean Q-balls formation that carry Cooper/local-pair condensates inside their volumes. Euclidean Q-balls that describe bubbl...

  • Article
  • Open Access
16 Citations
3,203 Views
15 Pages

Self-Assembly of Bottlebrush Block Copolymers in Selective Solvent: Micellar Structures

  • Inna O. Lebedeva,
  • Ekaterina B. Zhulina and
  • Oleg V. Borisov

21 April 2021

Block copolymers comprising chemically different bottlebrush blocks can self-assemble in selective solvents giving rise to micellar-like solution nanostructures. The self-consistent field theoretical approach is used for predicting relation between a...

  • Article
  • Open Access
1 Citations
2,740 Views
12 Pages

Self-Consistent Enhanced S/D Tunneling Implementation in a 2D MS-EMC Nanodevice Simulator

  • Cristina Medina-Bailon,
  • José Luis Padilla,
  • Carlos Sampedro,
  • Luca Donetti,
  • Vihar P. Gergiev,
  • Francisco Gamiz and
  • Asen Asenov

The implementation of a source to drain tunneling in ultrascaled devices using MS-EMC has traditionally led to overestimated current levels in the subthreshold regime. In order to correct this issue and enhance the capabilities of this type of simula...

  • Article
  • Open Access
2 Citations
3,239 Views
11 Pages

22 November 2021

Reinhard Schlickeiser has made groundbreaking contributions to various aspects of blazar physics, including diffusive shock acceleration, the theory of synchrotron radiation, the production of gamma-rays through Compton scattering in various astrophy...

  • Article
  • Open Access
1 Citations
2,653 Views
12 Pages

2 July 2025

LK-99, with chemical formula Pb10−xCux(PO4)6O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on density-functiona...

  • Article
  • Open Access
1 Citations
1,894 Views
15 Pages

26 September 2023

A Global Navigation Satellite System (GNSS) is a high-precision method for comparing clocks and time transfer. The GNSS carrier phase can provide more precise observable information than pseudorange. However, the carrier phase is ambiguous, and only...

  • Review
  • Open Access
5 Citations
2,403 Views
23 Pages

17 August 2020

We review some aspects of our longstanding research concerning the analogous Hawking effect in dispersive dielectric media. We introduce nonlinear contributions in the polarization field in the relativistically covariant version of the Hopfield model...

  • Article
  • Open Access
1 Citations
3,079 Views
11 Pages

Influence of Toroidal Flow on Stationary Density of Collisionless Plasmas

  • Elias Laribi,
  • Shun Ogawa,
  • Guilhem Dif-Pradalier,
  • Alexei Vasiliev,
  • Xavier Garbet and
  • Xavier Leoncini

16 September 2019

Starting from the given passive particle equilibrium particle cylindrical profiles, we built self-consistent stationary conditions of the Maxwell-Vlasov equation at thermodynamic equilibrium with non-flat density profiles. The solutions to the obtain...

  • Article
  • Open Access
7 Citations
2,457 Views
18 Pages

19 August 2022

Modelling of quantum cascade laser (QCL) structures, despite a regular progress in the field, still remains a complex task in both analytical and numerical aspects. Computer simulations of such nanodevices require large operating memories and effecti...

  • Article
  • Open Access
2 Citations
2,214 Views
11 Pages

16 August 2021

Electrolysis is potentially a valuable tool for cleansing waste water. One might even hope that it is possible to synthesize valuable products in this way. The question is how the reaction conditions can be chosen to obtain desired compounds. In the...

  • Review
  • Open Access
15 Citations
4,853 Views
69 Pages

Cosmological Probes of Structure Growth and Tests of Gravity

  • Jiamin Hou,
  • Julian Bautista,
  • Maria Berti,
  • Carolina Cuesta-Lazaro,
  • César Hernández-Aguayo,
  • Tilman Tröster and
  • Jinglan Zheng

The current standard cosmological model is constructed within the framework of general relativity with a cosmological constant Λ, which is often associated with dark energy, and phenomenologically explains the accelerated cosmic expansion. Und...

  • Article
  • Open Access
7 Citations
3,620 Views
10 Pages

Self-Consistent Energy Normalization for Quasistatic Reactor Calculations

  • David P. Griesheimer,
  • Steven J. Douglass and
  • Mark H. Stedry

2 June 2021

Use of the quasistatic (keff) approximation for producing steady-state solutions for non-critical fission systems is known to result in an imbalance between energy release and deposition within the system. In this paper, we formally quantify this imb...

  • Article
  • Open Access
3 Citations
2,941 Views
15 Pages

Variational Methods for Atoms and the Virial Theorem

  • Charlotte Froese Fischer and
  • Michel Godefroid

8 October 2022

In the case of the one-electron Dirac equation with a point nucleus, the virial theorem (VT) states that the ratio of the kinetic energy to potential energy is exactly 1, a ratio that can be an independent test of the accuracy of a computed so...

  • Feature Paper
  • Article
  • Open Access
4 Citations
1,669 Views
19 Pages

9 January 2023

Regular rotating electrically charged compact objects are described by nonlinear electrodynamics minimally coupled to gravity in a self-consistent way and without additional assumptions on the relation between the electromagnetic field and gravity. T...

  • Communication
  • Open Access
1,945 Views
12 Pages

The possibility to control both spectral and polarization properties of seed THz pulses in strongly nonequilibrium elongated magnetized plasma channels formed via intense UV femtosecond laser pulses in nitrogen (air) is analyzed. The physical mechani...

  • Feature Paper
  • Article
  • Open Access
1 Citations
1,756 Views
19 Pages

2 January 2023

The technique of functional Legendre transforms is used to develop an effective method for calculating the characteristics of critical phenomena in quantum field theory models in the Euclidean space of dimension d. Based on the diagrammatic represent...

  • Article
  • Open Access
2 Citations
3,314 Views
13 Pages

24 January 2022

In this short note we offer a novel quantitative approach to modeling of early stages of firm’s internalization, namely stages of accumulation of export readiness and their export debut. In particular, we introduce a new model of export readine...

  • Article
  • Open Access
16 Citations
4,351 Views
18 Pages

Electroresponsive Polyelectrolyte Brushes Studied by Self-Consistent Field Theory

  • Boris M. Okrugin,
  • Ralf P. Richter,
  • Frans A. M. Leermakers,
  • Igor M. Neelov,
  • Ekaterina B. Zhulina and
  • Oleg V. Borisov

13 April 2020

End-grafting of polyelectrolyte chains to conducting substrates offers an opportunity to fabricate electro-responsive surfaces capable of changing their physical/chemical properties (adhesion, wettability) in response to applied electrical voltage. W...

  • Article
  • Open Access
4 Citations
3,457 Views
13 Pages

7 July 2023

As a kind of high-performance tool material, the phase relationship and microstructure evolution of Fe-Mo-Co alloy during manufacturing processes deserve attention and study. In the present work, isothermal sections of the Fe-Mo-Co system at 800 and...

  • Article
  • Open Access
5 Citations
3,591 Views
17 Pages

9 October 2018

We report on a new multiscale method approach for the study of systems with wide separation of short-range forces acting on short time scales and long-range forces acting on much slower scales. We consider the case of the Poisson–Boltzmann equa...

  • Article
  • Open Access
5 Citations
7,533 Views
15 Pages

Thermodynamic Modeling of the Ag-Cu-Sn Ternary System

  • Qingsong Tong,
  • Jing Ge,
  • Maohua Rong,
  • Jielong Li,
  • Jian Jiao,
  • Lu Zhang and
  • Jiang Wang

20 September 2022

In this work, combined with previous assessments of the Ag-Cu, Ag-Sn and Cu-Sn binary systems, thermodynamic modeling of the Ag-Cu-Sn ternary system was performed using the CALPHAD method using the reported phase diagram data and thermodynamic data....

  • Article
  • Open Access
22 Citations
3,600 Views
30 Pages

9 February 2023

Highways are a critical consumer of energy. The integration of the highway and the energy system (ES) is a proven method towards carbon neutrality. The increasing energy demands of highway transportation infrastructure and the development of distribu...

  • Article
  • Open Access
834 Views
26 Pages

31 October 2025

The aerodynamic pressure of a car is crucial for its shape design. To overcome the time-consuming and costly bottleneck of wind tunnel tests and computational fluid dynamics (CFD) simulations, deep learning-based surrogate models have emerged as high...

  • Article
  • Open Access
1 Citations
1,751 Views
13 Pages

On the Simulation of Photoreactions Using Restricted Open-Shell Kohn–Sham Theory

  • Ralf Büchel,
  • Luis Álvarez,
  • Jan Grage,
  • Dominykas Maniscalco and
  • Irmgard Frank

23 September 2024

It is a well-established standard to describe ground-state chemical reactions at an ab initio level of multi-electron theory. Fast reactions can be directly simulated. The most widely used approach is density functional theory for the electronic stru...

  • Article
  • Open Access
13 Citations
8,025 Views
32 Pages

24 August 2022

In our study, a complete review of the literature, critical evaluation and thermodynamic assessment of the Cu-Zn, Cu-Se and Zn-Se binary systems were carried out. The modified quasi-chemical model (MQM) was applied to describe the Gibbs energy of the...

  • Article
  • Open Access
45 Citations
5,042 Views
18 Pages

Deposition of Synthetic and Bio-Based Polycations onto Negatively Charged Solid Surfaces: Effect of the Polymer Cationicity, Ionic Strength, and the Addition of an Anionic Surfactant

  • María Hernández-Rivas,
  • Eduardo Guzmán,
  • Laura Fernández-Peña,
  • Andrew Akanno,
  • Andrew Greaves,
  • Fabien Léonforte,
  • Francisco Ortega,
  • Ramón G. Rubio and
  • Gustavo S. Luengo

The deposition of layers of different polycations (synthetic or derived from natural, renewable resources) onto oppositely charged surfaces has been studied using ellipsometry and quartz crystal microbalance with dissipation monitoring (QCM-D). Infor...

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