Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• materials. Keywords: α-phase; β-phase; chemical rate theory; Fe; nanoparticle; nucleation; phase stability diagram; polymorphic phase transision; radiation stability; thermodynamics; vacancy saturation; Introduction Solid metal or ceramic nanoparticles with a diameter in the range of 1–100 nm, when placed

• on the model of α→β phase transition and the reverse β→α phase transition from a thermodynamics perspective. Finally, section “Discussion” discusses the effects of size and irradiation, justifying their relevance to metals and ceramics, and presents the particular case of Fe nanoparticles. Theory In

• -state concentrations of these defects under given irradiation conditions. In this approach, the rates of defect formation and annihilation are described by kinetic equations, which may be derived from fundamental principles such as the laws of thermodynamics and statistical mechanics. These equations

Antibody-conjugated nanoparticles for target-specific drug delivery of chemotherapeutics

• Mamta Kumari,
• Amitabha Acharya and
• Praveen Thaggikuppe Krishnamurthy

Beilstein J. Nanotechnol. 2023, 14, 912–926, doi:10.3762/bjnano.14.75

• binding is a highly selective interaction because both enthalpy and entropy are involved in the binding thermodynamics [73]. In case of multivalent particles, the entropy loss on binding is less than that of the two molecules in free solution. The multivalent NPs are very specific for the corresponding

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

Polymer nanoparticles from low-energy nanoemulsions for biomedical applications

• Santiago Grijalvo and
• Carlos Rodriguez-Abreu

Beilstein J. Nanotechnol. 2023, 14, 339–350, doi:10.3762/bjnano.14.29

• liquid phase. They are out-of-equilibrium nanocolloids in which phase separation is expected from thermodynamics, but is delayed by the presence of surfactants adsorbed on the droplets surface. Accordingly, nanoemulsion formation depends on the way the sample is prepared, for example, on the order of

Role of titanium and organic precursors in molecular layer deposition of “titanicone” hybrid materials

• Arbresha Muriqi and
• Michael Nolan

Beilstein J. Nanotechnol. 2022, 13, 1240–1255, doi:10.3762/bjnano.13.103

• calculated interaction energies on the anatase TiO2, rutile TiO2 and the Al2O3 surfaces are −0.88 eV, −0.74 eV and −1.47 eV, respectively. Thus, Ti(DMA)4 adsorbs favourably on the three oxide surfaces. Next, the thermodynamics of the first, second and third ligand loss reactions of the Ti(DMA)4 precursor are

Recent advances in nanoarchitectures of monocrystalline coordination polymers through confined assembly

• Lingling Xia,
• Qinyue Wang and
• Ming Hu

Beilstein J. Nanotechnol. 2022, 13, 763–777, doi:10.3762/bjnano.13.67

• clusters (PNCs), transition phases, and actual second building units (SBUs) in the prenucleation and growth steps (Figure 1). Transition and attachment of these species are not only controlled by thermodynamics but also strongly depend on kinetics. The decisive factors involve diffusion, local flow, and

• through self-assembly [130]. The assembly process is usually driven by thermodynamics to form entropy-favored periodic arrangements. The periodically assembled monocrystalline coordination polymers have unique features. For instance, the assembly of polyhedral coordination polymers can form a more complex

Criteria ruling particle agglomeration

• Dieter Vollath

Beilstein J. Nanotechnol. 2021, 12, 1093–1100, doi:10.3762/bjnano.12.81

• principle of a minimum of free enthalpy. This means that one has to introduce additional criteria for a complete description of the system. The principle of maximum entropy is based on either the Boltzmann entropy or the Gibbs entropy of mixing. In the description of the thermodynamics of sufficiently large

• of Thermodynamics”, which does not allow a reduction of the entropy to occur. Therefore, Mishin [15] had to put this into a broader theoretical framework. One of the fundamental rules for the entropy in a fluctuating system requires to distinguish between an average level and a maximum level, which

• [1]. Within the current study, the influence of thermodynamics was discussed by systematic analyses of the different thermodynamic functions. Looking at the maximum of the entropy, the simulations show that the particle size distribution follows perfectly an exponential function. The parameters found

Colloidal particle aggregation: mechanism of assembly studied via constructal theory modeling

• Scott C. Bukosky,
• Sukrith Dev,
• Monica S. Allen and
• Jeffery W. Allen

Beilstein J. Nanotechnol. 2021, 12, 413–423, doi:10.3762/bjnano.12.33

• (global) currents that flow through it” [1]. The main distinction between the classical laws of thermodynamics and constructal law is the former only describes the final equilibrium state of the system while the latter describes how and through what pathway(s) the system naturally progresses to achieve

ZnO and MXenes as electrode materials for supercapacitor devices

• Ameen Uddin Ammar,
• Ipek Deniz Yildirim,
• Feray Bakan and
• Emre Erdem

Beilstein J. Nanotechnol. 2021, 12, 49–57, doi:10.3762/bjnano.12.4

• play a vital role in the creation of the defect centers. Different routes may create different size distributions. The defects may have different thermodynamics and kinetics. Also, secondary phases may occur, and impurities and morphology may change. All these facts affect the creation of defects

Magnetohydrodynamic stagnation point on a Casson nanofluid flow over a radially stretching sheet

• Ganji Narender,
• Kamatam Govardhan and
• Gobburu Sreedhar Sarma

Beilstein J. Nanotechnol. 2020, 11, 1303–1315, doi:10.3762/bjnano.11.114

• and medical science in the last decades Since heat energy provides society with several benefits, the field of thermodynamics is applicable to and effectively connected with other fields. Heat transport processes plays a fundamental role in building design [1], fuel-filling systems [2], air compressor

Agglomerates of nanoparticles

• Dieter Vollath

Beilstein J. Nanotechnol. 2020, 11, 854–857, doi:10.3762/bjnano.11.70

• Dieter Vollath NanoConsulting, Primelweg 3, Stutensee 76297, Germany 10.3762/bjnano.11.70 Abstract Nanoparticles tend to agglomerate. The process of agglomeration is ruled by thermodynamics. Depending on the sign of the enthalpy of interaction, ensembles consist of (repelling) poorly agglomerated

Comparison of fresh and aged lithium iron phosphate cathodes using a tailored electrochemical strain microscopy technique

• Matthias Simolka,
• Hanno Kaess and
• Kaspar Andreas Friedrich

Beilstein J. Nanotechnol. 2020, 11, 583–596, doi:10.3762/bjnano.11.46

• Matthias Simolka Hanno Kaess Kaspar Andreas Friedrich University of Applied Sciences Esslingen, Faculty of Basic Sciences, 73728 Esslingen, Germany German Aerospace Center (DLR), Institute of Engineering Thermodynamics, Pfaffenwaldring 38–40, 70569 Stuttgart, Germany University of Stuttgart

Chiral nanostructures self-assembled from nitrocinnamic amide amphiphiles: substituent and solvent effects

• Hejin Jiang,
• Huahua Fan,
• Yuqian Jiang,
• Li Zhang and
• Minghua Liu

Beilstein J. Nanotechnol. 2019, 10, 1608–1617, doi:10.3762/bjnano.10.156

• Hejin Jiang Huahua Fan Yuqian Jiang Li Zhang Minghua Liu Beijing National Laboratory for Molecular Science (BNLMS), CAS Laboratory of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China University of Chinese Academy of Sciences

Selective gas detection using Mn₃O₄/WO₃ composites as a sensing layer

• Yongjiao Sun,
• Zhichao Yu,
• Wenda Wang,
• Pengwei Li,
• Gang Li,
• Wendong Zhang,
• Lin Chen,
• Serge Zhuivkov and
• Jie Hu

Beilstein J. Nanotechnol. 2019, 10, 1423–1433, doi:10.3762/bjnano.10.140

• temperature further increases. For the detection of H2S, NH3 and CO for all four sensors, the maximum response values were achieved at 90 °C, 150 °C and 210 °C, respectively. The thermodynamics and kinetics of the gas adsorption and desorption on the surface of WO3 could be responsible for this “increased

Mechanical and thermodynamic properties of Aβ₄₂, Aβ₄₀, and α-synuclein fibrils: a coarse-grained method to complement experimental studies

• Adolfo B. Poma,
• Horacio V. Guzman,
• Mai Suan Li and
• Panagiotis E. Theodorakis

Beilstein J. Nanotechnol. 2019, 10, 500–513, doi:10.3762/bjnano.10.51

• , shear, and indentation processes. Mechanical and thermodynamics characterization through a CG model In our previous work [36], we have constructed a computational protocol for performing several types of mechanical deformation in silico (Figure 3). Such processes can be carried out at constant speed or

Bidirectional biomimetic flow sensing with antiparallel and curved artificial hair sensors

• Claudio Abels,
• Antonio Qualtieri,
• Toni Lober,
• Alessandro Mariotti,
• Lily D. Chambers,
• Massimo De Vittorio,
• William M. Megill and
• Francesco Rizzi

Beilstein J. Nanotechnol. 2019, 10, 32–46, doi:10.3762/bjnano.10.4

• situated directly beneath the flow sensor for 10 minutes, while the offset voltage of the Wheatstone bridge was recorded. The built-in Wheatstone bridge circuit was excited with Vexc = +5.0 V DC. To eliminate additional highly complex thermodynamics, measurements were performed without air flow. A high

Nanostructured liquid crystal systems and applications

• Alexei R. Khokhlov and
• Alexander V. Emelyanenko

Beilstein J. Nanotechnol. 2018, 9, 2644–2645, doi:10.3762/bjnano.9.245

• crystals are simply fantastic and beautiful materials. The investigation of liquid crystals makes an important contribution to the development of new scientific methods and approaches in mathematics, computer science, molecular-statistical physics, thermodynamics, electrodynamics, etc. The methods derived

Block copolymers for designing nanostructured porous coatings

• Roberto Nisticò

Beilstein J. Nanotechnol. 2018, 9, 2332–2344, doi:10.3762/bjnano.9.218

• –disorder transition at a certain value of χN [43]. In detail, the Flory–Huggins model relies on the thermodynamics of polymer solutions by considering the Gibbs free energy for mixing polymer with solvents. According to the Flory–Huggins theory, to calculate the Flory–Huggins interaction parameter, it must

Surface energy of nanoparticles – influence of particle size and structure

• Dieter Vollath,
• Franz Dieter Fischer and
• David Holec

Beilstein J. Nanotechnol. 2018, 9, 2265–2276, doi:10.3762/bjnano.9.211

• .9.211 Abstract The surface energy, particularly for nanoparticles, is one of the most important quantities in understanding the thermodynamics of particles. Therefore, it is astonishing that there is still great uncertainty about its value. The uncertainty increases if one questions its dependence on

• particle size. Different approaches, such as classical thermodynamics calculations, molecular dynamics simulations, and ab initio calculations, exist to predict this quantity. Generally, considerations based on classical thermodynamics lead to the prediction of decreasing values of the surface energy with

• particle size is found. The main conclusion of this work is that surface energy values for the equivalent bulk materials should be used if detailed data for nanoparticles are not available. Keywords: ab initio calculations; classical thermodynamics; molecular dynamics simulation; surface energy; surface

Lead-free hybrid perovskites for photovoltaics

• Oleksandr Stroyuk

Beilstein J. Nanotechnol. 2018, 9, 2209–2235, doi:10.3762/bjnano.9.207

• for the thermodynamics-driven formation of HPs, resulting in a higher material quality and reproducibility as compared to the conventional kinetically quenched syntheses (solvent evaporation, spin or spray coating). The shape control over CsSnX3 nanoscale phases grown in the presence of tri

The rational design of a Au(I) precursor for focused electron beam induced deposition

• Ali Marashdeh,
• Thiadrik Tiesma,
• Niels J. C. van Velzen,
• Sjoerd Harder,
• Remco W. A. Havenith,
• Jeff T. M. De Hosson and
• Willem F. van Dorp

Beilstein J. Nanotechnol. 2017, 8, 2753–2765, doi:10.3762/bjnano.8.274

• functions). A shrinking factor of 8 was chosen. Full geometry optimizations and frequency calculations [81][82] including the Grimme dispersion correction were performed [83]. Thermodynamics were calculated at 298.15 K and 1.0 × 10−9 MPa, and 298.15 K and 0.101 MPa. Synthesis MeAu(PMe3) was synthesized as

Comparing postdeposition reactions of electrons and radicals with Pt nanostructures created by focused electron beam induced deposition

• Julie A. Spencer,
• Michael Barclay,
• Miranda J. Gallagher,
• Robert Winkler,
• Ilyas Unlu,
• Yung-Chien Wu,
• Harald Plank,
• Lisa McElwee-White and
• D. Howard Fairbrother

Beilstein J. Nanotechnol. 2017, 8, 2410–2424, doi:10.3762/bjnano.8.240

• from PtCl2 deposits created from cis-Pt(CO)2Cl2 by focused electron beam induced deposition (FEBID) is evaluated. Auger electron spectroscopy (AES) and energy-dispersive X-ray spectroscopy (EDS) measurements as well as thermodynamics calculations support the idea that electrons can remove chlorine from

Au₅₅, a stable glassy cluster: results of ab initio calculations

• Dieter Vollath,
• David Holec and
• Franz Dieter Fischer

Beilstein J. Nanotechnol. 2017, 8, 2221–2229, doi:10.3762/bjnano.8.222

• data suggest a phase transformation in the temperature range around 600 K, which is the highest temperature at which the coordination number of twelve is observed. In thermodynamics of bulk materials, a discontinuity of the free enthalpy as a function of the temperature is a typical marker for a phase

• allowed for the estimation of the surface energy by two entirely different approaches. Analyzing the values for the surface energy given in Table 3, one realizes that the more empirical approach of Medasani et al. [30], and the continuum thermodynamics-based approach employing the Kelvin equation, yield

Imidazolium-based ionic liquids used as additives in the nanolubrication of silicon surfaces

• Patrícia M. Amorim,
• Ana M. Ferraria,
• Rogério Colaço,
• Luís C. Branco and
• Benilde Saramago

Beilstein J. Nanotechnol. 2017, 8, 1961–1971, doi:10.3762/bjnano.8.197

• Shape Analysis, Applied Surface Thermodynamics Research Associates, Toronto, Canada) software. Nanotribological tests The coefficients of friction (CoFs) were measured in a nanotribometer (CSM Instruments, Peseux, Switzerland) using PEG and PEG + ILs as lubricants. The Si substrates, previously cleaned

Enhancement of mechanical and electrical properties of continuous-fiber-reinforced epoxy composites with stacked graphene

• Naum Naveh,
• Olga Shepelev and
• Samuel Kenig

Beilstein J. Nanotechnol. 2017, 8, 1909–1918, doi:10.3762/bjnano.8.191

• wetting ability of the modified nanoparticles. The hydrophilic/hydrophobic nature of the SAA dictates the surface energy balance. More hydrophilic SAAs promoted localization of the SG at the Kevlar/epoxy interface, and morphology seems to be driven by thermodynamics, rather than the kinetic effect of