Missing links in nanomaterials research impacting productivity and perceptions

• Santosh K. Tiwari and
• Nannan Wang

Beilstein J. Nanotechnol. 2025, 16, 2168–2176, doi:10.3762/bjnano.16.149

• policymaking. (5) Create standardized protocols and collaborative infrastructure through inter-laboratory validated methods, centralized pilot-scale manufacturing facilities, open-access repositories, shared instrumentation, and cloud-based simulation tools for reproducibility and scale-up. (6) Develop human

Molecular and mechanical insights into gecko seta adhesion: multiscale simulations combining molecular dynamics and the finite element method

• Yash Jain,
• Saeed Norouzi,
• Tobias Materzok,
• Stanislav N. Gorb and
• Florian Müller-Plathe

Beilstein J. Nanotechnol. 2025, 16, 2055–2076, doi:10.3762/bjnano.16.141

• treatment to an entire seta with multiple spatulae. Since purely particle-based simulation techniques are limited by the number of atoms (or coarse-grained beads), it becomes computationally unfeasible to model an entire seta at molecular resolution. A back-of-the-envelope calculation gives an estimate of

• ]. While there have been a few sequential multiscale studies [29][30][31], there have been no concurrent simulations in which micrometer-scale seta mechanics and molecular spatula–substrate interactions feed into each other at runtime. This work concurrently couples MD and FEM in a single simulation to

• geometry was sufficient as a first step in validating our concurrent MD–FEM approach and extracting fundamental insights about contact formation, load transfer, and spatula detachment mechanisms. Simulating each spatula in its own MD simulation, while coupling them all with the seta FEM model, becomes

Programmable soliton dynamics in all-Josephson-junction logic cells and networks

• Vsevolod I. Ruzhickiy,
• Anastasia A. Maksimovskaya,
• Sergey V. Bakurskiy,
• Andrey E. Schegolev,
• Maxim V. Tereshonok,
• Mikhail Yu. Kupriyanov,
• Nikolay V. Klenov and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2025, 16, 1883–1893, doi:10.3762/bjnano.16.131

• a key innovation, as it allows to dynamically switch this directional property on and off. We demonstrate this principle through simulation of a KICK with L/LJ = 2. In our model, the transmission line’s series junctions have a nominal critical current of . The asymmetry is created by increasing the

Electrical, photocatalytic, and sensory properties of graphene oxide and polyimide implanted with low- and medium-energy silver ions

• Josef Novák,
• Eva Štěpanovská,
• Petr Malinský,
• Vlastimil Mazánek,
• Jan Luxa,
• Ulrich Kentsch and
• Zdeněk Sofer

Beilstein J. Nanotechnol. 2025, 16, 1794–1811, doi:10.3762/bjnano.16.123

• of rhodamine B compared to the non-implanted samples. Results and Discussion Projected range and energy loss simulation by SRIM During implantation, the ions interact with atomic nuclei or their electron shells, which results in a loss of the ions’ kinetic energy. The energy losses of the implanted

• calculation was performed through a complex Monte Carlo simulation. The initial GO composition for SRIM simulation was determined by RBS analysis of the pristine sample, while the composition and density of the PI polymer were obtained from the SRIM database. The results of the SRIM simulation are shown in

Beyond the bilayer: multilayered hygroscopic actuation in pine cone scales

• Kim Ulrich,
• Max David Mylo,
• Tom Masselter,
• Fabian Scheckenbach,
• Sophia Fischerbauer,
• Martin Nopens,
• Silja Flenner,
• Imke Greving,
• Linnea Hesse and
• Thomas Speck

Beilstein J. Nanotechnol. 2025, 16, 1695–1710, doi:10.3762/bjnano.16.119

• function of relative humidity. There were distinct differences between tissues and a pronounced hysteresis between sorption and desorption. Finite element analysis was performed on geometries ranging from simplified bilayer models to complex remodeled scales. Simulation results showed an underestimation of

• bending simulation Based on a CT scan of a P. jeffreyi cone scale bending zone (basal third), five CAD geometries were created (Figure 3). The geometries were kept within the same dimensions (length: 11.5 mm, width: 11.5 mm, and thickness: 1.6 mm), to compare the resulting bending motion with the bending

• in the following. To analyze the influence of the mechanical properties, in another simulation of the bilayer, the value of the Young's modulus of the sclerenchyma fibers was adjusted to that of the brown tissue (from 500 to 50 MPa). To analyze the influence of the Young's modulus of the brown tissue

Bioinspired polypropylene-based functionally graded materials and metamaterials modeling the mistletoe–host interface

• Lina M. Rojas González,
• Naeim Ghavidelnia,
• Christoph Eberl and
• Max D. Mylo

Beilstein J. Nanotechnol. 2025, 16, 1592–1606, doi:10.3762/bjnano.16.113

• analysis to reveal local strain distributions of the three metamaterial specimens at three stages during the tensile test: before loading, after first beam failure, after catastrophic failure of the specimens. The red circles indicate the failure locations. FE simulation results of the strain distributions

Modeling magnetic properties of cobalt nanofilms used as a component of spin hybrid superconductor–ferromagnetic structures

• Aleksey Fedotov,
• Olesya Severyukhina,
• Anastasia Salomatina and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1557–1566, doi:10.3762/bjnano.16.110

• of computational experiments after the relaxation stage, the magnetization modulus value also slightly changes in time. The simulation results indicate that as the thickness of the nanofilm increases, there is a tendency to decrease the value of its magnetization modulus. Most of the values are

• shows the orientation of atomic spins obtained by numerical simulation after the relaxation and equilibration of the system. As can be seen in Figure 7, the reversal of the magnetic moments of individual atoms occurs in the plane of the nanofilm. After the reversal, the spins of the atoms are oriented

• magnetization of the nanofilm is formed in the range of 0.07–0.01. It is known that the Neel domain walls occur in thin films with a thickness of 100 nm or less, which agrees well with the simulation results obtained. Since it is typical for ferromagnetic materials to form domains and domain walls due to the

Electronic and optical properties of chloropicrin adsorbed ZnS nanotubes: first principle analysis

• Prakash Yadav,
• Boddepalli SanthiBhushan and
• Anurag Srivastava

Beilstein J. Nanotechnol. 2025, 16, 1184–1196, doi:10.3762/bjnano.16.87

• slight strain in the lattice. A vacuum slab of 20 Å thickness was introduced along the radial direction to minimize spurious interactions between adjacent NT images in the simulation. This ensures that the periodic boundary conditions do not artificially influence the electronic and structural properties

Time-resolved probing of laser-induced nanostructuring processes in liquids

• Maximilian Spellauge,
• David Redka,
• Mianzhen Mo,
• Changyong Song,
• Heinz Paul Huber and
• Anton Plech

Beilstein J. Nanotechnol. 2025, 16, 968–1002, doi:10.3762/bjnano.16.74

• K) of neutral water, as shown by the agreement with the MD simulation result in Figure 5F. This implied that the rearrangement of the water molecular structure was dominated by the heating effect when the steady state was reached. These observations and the approach of analyzing the water structure

Focused ion beam-induced platinum deposition with a low-temperature cesium ion source

• Thomas Henning Loeber,
• Bert Laegel,
• Meltem Sezen,
• Feray Bakan Misirlioglu,
• Edgar J. D. Vredenbregt and
• Yang Li

Beilstein J. Nanotechnol. 2025, 16, 910–920, doi:10.3762/bjnano.16.69

• and O. While the highest concentration of Pt and C can be found within the actual shape, the Cs and O distribution correspond to the bubble area in the SEM image. SRIM simulation showing the penetration of Ga+ and Cs+ ions into a Si substrate at different acceleration voltages. Cs+ ions at a voltage

Synthesis and magnetic transitions of rare-earth-free Fe–Mn–Ni–Si-based compositionally complex alloys at bulk and nanoscale

• Shabbir Tahir,
• Tatiana Smoliarova,
• Carlos Doñate-Buendía,
• Michael Farle,
• Natalia Shkodich and
• Bilal Gökce

Beilstein J. Nanotechnol. 2025, 16, 823–836, doi:10.3762/bjnano.16.62

• Ge- and Al-based CCAs (Figure 3). The polydispersity index (PDI) exceeds 0.3, indicating a polydisperse size distribution. This polydispersity is further supported by simulation studies by Shih et al. [60], where small NPs are formed following the phase explosion process, in which a superheated

Supramolecular hydration structure of graphene-based hydrogels: density functional theory, green chemistry and interface application

• Hon Nhien Le,
• Duy Khanh Nguyen,
• Minh Triet Dang,
• Huyen Trinh Nguyen,
• Thi Bang Tam Dao,
• Trung Do Nguyen,
• Chi Nhan Ha Thuc and
• Van Hieu Le

Beilstein J. Nanotechnol. 2025, 16, 806–822, doi:10.3762/bjnano.16.61

• described in the results and discussion. Methods Computation method of density functional theory First-principles calculations based on DFT were conducted using the Vienna ab initio simulation software (VASP) and a high-performance computing system (HPC). The projector-augmented wave method (PAW) was

Nanoscale capacitance spectroscopy based on multifrequency electrostatic force microscopy

• Pascal N. Rohrbeck,
• Lukas D. Cavar,
• Franjo Weber,
• Peter G. Reichel,
• Mara Niebling and
• Stefan A. L. Weber

Beilstein J. Nanotechnol. 2025, 16, 637–651, doi:10.3762/bjnano.16.49

• simulation results (Figure 5). Whereas the C″ signal only emerged from the noise at distances of less than 500 nm, the C′ signal shows a monotonic decrease over the full 3 μm of vertical travel. Compared to the simulations, the experimental C′ signal shows a slower decrease, indicating a stronger influence

Retrieval of B1 phase from high-pressure B2 phase for CdO nanoparticles by electronic excitations in Cd_xZn_1−xO composite thin films

• Arkaprava Das,
• Marcin Zając and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2025, 16, 551–560, doi:10.3762/bjnano.16.43

• diameter in CdO subjected to 120 MeV silver ion irradiation is calculated to be approximately 8 nm using an inelastic thermal spike simulation code. This study elucidates the intriguing reappearance of the B1 phase under oxygen ion irradiation and highlights the radiation stability of the B2 phase through

• ρ is the specific mass of the lattice. In Equation 2, B(r,t) indicates the energy density provided to the electron subsystem by the SHI [22][23]. The numerical solutions of the coupled differential equation, obtained through simulation codes, yield a graph depicting the temperature of the ion core

• the melting temperature derived from multiple impact processes. Given that CdO has significantly high electrical conductivity (>1014 S/cm) and high mobility (>100 cm2/V/s), the simulation was conducted under the assumption that CdO behaves as a metallic system [2][3][4]. Furthermore, due to the

N₂⁺-implantation-induced tailoring of structural, morphological, optical, and electrical characteristics of sputtered molybdenum thin films

• Usha Rani,
• Kafi Devi,
• Divya Gupta and
• Sanjeev Aggarwal

Beilstein J. Nanotechnol. 2025, 16, 495–509, doi:10.3762/bjnano.16.38

• University, Kurukshetra, ensuring comprehensive and accurate characterization of the properties of Mo thin films. Results and Discussion SRIM-TRIM simulation The “Stopping & Range of Ions in Matter and Transport of Ions in Matter” (SRIM-TRIM) simulation software was used to quantitatively estimate

Vortex lattices of layered HTSCs at different vortex–vortex interaction potentials

• Valerii P. Lenkov,
• Anastasia N. Maksimova,
• Anna N. Moroz and
• Vladimir A. Kashurnikov

Beilstein J. Nanotechnol. 2025, 16, 362–370, doi:10.3762/bjnano.16.27

• molecular dynamics simulation of a vortex system in a superconductor with was performed, and a phase B–T diagram was obtained (B is the magnetic field and T is the temperature of the vortex system), which contains regions of a hexagonal vortex lattice, a striped structure, and a lattice of vortex clusters

• pancakes in the layer under consideration, is the vortex self-energy per superconducting layer with The simulation is performed for a vortex lattice in a sample whose size in the plane of the superconducting layer is 5 × 5 μm. To eliminate the influence of the boundary, the simulation region has periodic

• sample, and the clusters are replaced by regions with a higher average vortex distribution density. It should be noted that clusters in the form of stripes were observed in the numerical simulation in [19]. Conclusion Within the framework of a two-dimensional model of a layered HTSC, the configurations

A review of metal-organic frameworks and polymers in mixed matrix membranes for CO₂ capture

• Charlotte Skjold Qvist Christensen,
• Nicholas Hansen,
• Mahboubeh Motadayen,
• Nina Lock,
• Martin Lahn Henriksen and
• Jonathan Quinson

Beilstein J. Nanotechnol. 2025, 16, 155–186, doi:10.3762/bjnano.16.14

Comparison of organic and inorganic hole transport layers in double perovskite material-based solar cell

• Deepika K and
• Arjun Singh

Beilstein J. Nanotechnol. 2025, 16, 119–127, doi:10.3762/bjnano.16.11

• performance. Keywords: double perovskite solar cell (DPSC); electron transport layer (ETL); hole transport layer (HTL); SCAPS-1D; simulation; Introduction The rapid growth of the world population has increased the global need for energy, which has become undoubtedly quite strong. To date, the energy

• for experimental work regarding better performance. Simulation Methodology and Device Structure SCAPS-1D (a solar cell capacitance simulator) is an application program in one-dimensional C code developed at the Electronics and Informative Systems Department of Gent University, Belgium. It facilitates

• behavior. The device simulation is performed at an air mass of AM1.5G at 300 K under illumination of 1000 W/m2. The absorber layer is optimized concerning different hole transport layers with the help of SCAPS-1D. The materials and the proposed parameters, taken from different publications, for this study

Modeling and simulation of carbon-nanocomposite-based gas sensors

• Roopa Hegde,
• Punya Prabha V,
• Shipra Upadhyay and
• Krishna S B

Beilstein J. Nanotechnol. 2025, 16, 90–96, doi:10.3762/bjnano.16.9

• Roopa Hegde Punya Prabha V Shipra Upadhyay Krishna S B Electronics and Communication Engineering, Ramaiah Institute of Technology, MSRIT Post, M S Ramaiah Nagar, MSR Nagar, Bengaluru, Karnataka 560054, India 10.3762/bjnano.16.9 Abstract This paper reports simulation of a carbon monoxide gas

• development of these sensors, it becomes imperative to establish a mathematical model for economically predicting their behavior. The simulation using COMSOL Multiphysics is performed to obtain the surface coverage of the sensor by introducing carbon monoxide gas through a Gaussian pulse feed inlet at

• of 0.6 cm are built as shown in Figure 2. Meshing is a crucial step in the simulation process, dividing a large domain into smaller parts to apply boundary conditions. For this model, tetrahedral elements with an element size of 0.5 mm were used as the primary mesh element throughout the body

Advanced atomic force microscopy techniques V

• Philipp Rahe,
• Ilko Bald,
• Nadine Hauptmann,
• Regina Hoffmann-Vogel,
• Harry Mönig and
• Michael Reichling

Beilstein J. Nanotechnol. 2025, 16, 54–56, doi:10.3762/bjnano.16.6

• accurate knowledge of the quartz cantilever stiffness, the authors develop a method to quantify the stiffness based on thermal noise measurements and numerical simulation. Calibrated measurements of conductivity and resistivity are the focus of the contribution by Piquemal et al. [3]. A particular

Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster

• Joel Antúnez-García,
• Roberto Núñez-González,
• Vitalii Petranovskii,
• H’Linh Hmok,
• Armando Reyes-Serrato,
• Fabian N. Murrieta-Rico,
• Mufei Xiao and
• Jonathan Zamora

Beilstein J. Nanotechnol. 2025, 16, 44–53, doi:10.3762/bjnano.16.5

• , México Departamento de Matemáticas, Universidad de Sonora, Blvd. Luis Encinas y Rosales s/n, 83000, Hermosillo, Sonora, México Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología, 22800 Ensenada, B. C., México Simulation in Materials Science Research Group, Science and

Precursor sticking coefficient determination from indented deposits fabricated by electron beam induced deposition

• Alexander Kuprava and
• Michael Huth

Beilstein J. Nanotechnol. 2025, 16, 35–43, doi:10.3762/bjnano.16.4

• Alexander Kuprava Michael Huth Physics Institute, Goethe University Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt am Main, Germany 10.3762/bjnano.16.4 Abstract A fast simulation approach for focused electron beam induced deposition (FEBID) numerically solves the diffusion–reaction equation

• (continuum model) of the precursor surface on the growing nanostructure in conjunction with a Monte Carlo simulation for electron transport in the growing deposit. An important requirement in this regard is to have access to a methodology that can be used to systematically determine the values for the set of

• is needed and can be obtained based on a simulation of the FEBID process using the so-called continuum model that can be of great assistance for the nanofabrication process optimization [2][3]. Here again, sufficiently accurate knowledge of the values for the model-dependent set of precursor

Bioinspired nanofilament coatings for scale reduction on steel

• Siad Dahir Ali,
• Mette Heidemann Rasmussen,
• Jacopo Catalano,
• Christian Husum Frederiksen and
• Tobias Weidner

Beilstein J. Nanotechnol. 2025, 16, 25–34, doi:10.3762/bjnano.16.3

• the plate corresponding to the flow of oil/water equivalent to 10,000 barrels per day in a 4-inch nominal steel pipe. Figure 2C shows a simulation of the fluid streamlines and shear stress on the samples matching the shear stress value in a 4-inch pipe at a flow rate of 10,000 barrels per day. The

• maximum pressure of 200 bar. The liquid phase is pressurized via an inert gas (e.g., Ar or N2). (B) Top view of the static plate where three samples are mounted; around half of the surface area for each sample is exposed at constant sheer stress. (C) Steady state simulation of the velocity profile

Orientation-dependent photonic bandgaps in gold-dust weevil scales and their titania bioreplicates

• Norma Salvadores Farran,
• Limin Wang,
• Primoz Pirih and
• Bodo D. Wilts

Beilstein J. Nanotechnol. 2025, 16, 1–10, doi:10.3762/bjnano.16.1

• geometries were set up in a rectangular simulation box with two lateral directions. While the in-plane boundaries had periodic boundary conditions, the boundary along the incident light directions had a perfectly matched layer (PML) boundary. The diamond geometry used to simulate the scale response had a

• in normal direction onto the structure that was oriented along the [100] direction. The angle-integrated reflectivity was obtained from a monitor placed above the light source spanning the entire simulation box area. The gold-dust weevil Hypomeces squamosus. (a) A macro photo of the weevil with

Mechanistic insights into endosomal escape by sodium oleate-modified liposomes

• Ebrahim Sadaqa,
• Satrialdi,
• Fransiska Kurniawan and
• Diky Mudhakir

Beilstein J. Nanotechnol. 2024, 15, 1667–1685, doi:10.3762/bjnano.15.131

• mechanism, facilitating cytosolic delivery with reduced cytotoxicity. This approach offers a safer and more effective option for targeted drug delivery applications. Keywords: Aurein 1.2; endosomal escape; fusogenic effect; molecular dynamics simulation; sodium oleate; Introduction The quest for efficient

• . These findings confirm that SO is effective at promoting membrane fusion under acidic conditions to achieve targeted fusogenicity, making it a promising candidate for enhancing endosomal escape in drug delivery applications. MD simulation of OLA and AUR interaction with lipid bilayers The MD simulations

• bilayer. Notably, after 100 ns, OLA is significantly integrated within the membrane. At the end of the simulation (200 ns), OLA is thoroughly embedded, suggesting strong hydrophobic interactions that could potentially disrupt membrane integrity. This deep insertion is indicative of a substantial effect on