

Included force fields — ReaxFF 2021.1 documentation
B. Narayanan, A.C.T. van Duin, B.B. Kappes, I.E. Reimanis and C.V. Ciobanu A reactive force field for lithium-aluminum silicates with applications to eucryptite phases Modelling and Simulation in Materials Science and Engineering 2012 20 015002



Frontiers | The Effect of Ball Milling Time on the ...
During milling process, a milling time of 10 min and a pause time of 15 min were carried out for the planetary ball milling instrument. After milling, all ball-milled meals were collected to extract the lignin using a mixture of 1,4-dioxane and water (96:4, v/v) with a liquid-to-solid ratio of 20:1 for 24 h.



High coercivity Pr2Fe14B magnetic nanoparticles by a ...
The ball milling was carried out using an 8000 M ball mill (SPEX Sample Prep) with a ball-to-powder ratio of 10 : 1, from 2 h to 5 h. The milling time was a key parameter and its influence on the phase transitions was investigated carefully.



Green, Two Components Highly Efficient Reaction of ...
Method (A); Ball-milling A mixture of 356 mg of ninhydrin 1 (2.00 mmol) and 184 mg of benzidine 2 (1.00 mmol) was ball-milled at room temperature for 1 h. The material obtained was dried at 0.01 bar at 80 ° C in vacuum to give pure 3 with 100% yield and did not require purifying workup. Method (B); Using Solvent



(PDF) Flux Pinning Optimization of MgB2 Bulk Samples ...
The ball-milling technique was briefly applied to various powders, such as Mg, MgH2, and B powder, and to powder mixtures of Mg and B, MgH2 and B, and Mg+B+SiC. They were ...



Materials | Free Full-Text | Metal Borohydrides beyond ...
Mixtures of Mn(BH 4) 2 + M(BH 4) x, M = Li, Na, Mg, and Ca can be prepared by ball-milling from pure borohydrides. For M = Mg, a solid solution was also formed. Mn(BH 4) 2 and Mg(BH 4) 2 can form a solid solution of Mg x Mn (1-x) (BH 4) 2 in the range x = 0–0.8 from the mixing of MgCl 2, MnCl 2, and LiBH 4 .



Synthesis of amorphous Mg(BH4)2 from MgB2 and H2 at room ...
An amorphous Mg(BH4)(2) phase is produced after ball-milling (in 100 bar H-2) gamma-Mg(BH4)(2) for 2 h. This amorphous phase dehydrogenates via …



NbCl5 and CrCl3 catalysts effect on synthesis and hydrogen ...
The milling was undertaken on QM–ISP planetary ball mill (manufactured by Nanjing University, China) with a fixed 350 rpm rotation speed for 7 h at cryogenic temperature (238 ± 5 K). Handling, weighting, loading of the samples and ball milling were performed in air without any protective atmosphere.



Magnesium based materials for hydrogen based energy ...
Historically, the ball milling of Mg powders was the first method shown to accelerate their hydrogenation kinetics [44], [45]. Later, some other methods of plastic deformation of Mg and its alloys were also shown to have a …



Synthesis and Characterization of Nano-Structured Fly Ash ...
Ball milling was carried out for a total duration of 30 h. A sample was removed after every 5 h of milling for characterization. The nano-structured fly ash was characterized for its crystallite size, lattice strain, and percentage crystallinity by X-ray diffraction.



Ball Milling For 200
ball milling for 200 300 mg - kavarna-hlucin.cz. ball milling for 200 300 mg. ball milling for 200 300 mg. The influence of both Mg grain size and ball milling time on the phase formation of MgB 2 tapes has been studied. The finer grain sizes of Mg powder, under 45 µm, and the well-milled condition above 8 h improve the J …



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and then disappear after milling for 8 h. It shows that ball-milling process can promote the alloying of Ti and Mg. The ... 1


Metal hydride materials for solid hydrogen storage: A ...
Hydrogen desorption curves of unmilled MgH 2 (solid symbols) and ball-milled (hollow symbols) MgH 2 under a hydrogen pressure of 0.15 bar [58]. Hydrogenation properties are very sensitive to these surface modifications. The ball-milled powders do not require activation compared to the conventional methods.



A Na+ Superionic Conductor for Room-Temperature …
XRD patterns of (a) solid solutions of ZrO 2 and MO (M = Mg, Ca, Sr, Ba) after high energy ball milling for 2 h. (b) Na 3.1 Zr 1.95 M 0.05 Si 2 PO 12 (M = Mg, Ca, Sr, Ba) sintered at 1260 °C for ...



Mechanochemical Preparation of Protein : hydantoin Hybrids ...
For preparations involving ball milling, hydantoin 3 (1 mg) and BLG (50 mg) were ball-milled at 30 Hz for 10 min, with a mixer mill (MM 400, Retsch, Germany) using 1.5 mL stainless-steel jars (with 20 stainless-steel balls, 3 mm Ø; m ball =0.033 g each, m tot =0.65 g). After milling, the resulting powder was treated as described above for the ...



Improved Hydrogen Desorption Kinetics of MgH2 ...
First, Mg nanoparticles were synthesized by thermal desorption of bipyridyl complex of Mg and then MgH 2 nanoparticles were obtained by hydriding the Mg nanoparticles. Composite mixtures (MgH 2 + TiC) were prepared using high-energy ball milling. Structural analysis, morphology and particle size were investigated by X-rays diffractometer (XRD ...



LiBH4 for hydrogen storage - New perspectives - …
a recent study [ 49] on the liquid ball milling m (bh 4) n -linh 2 (1/2 n molar ratio, n = 1 or 2, m = li, mg, ca) has confirmed that, by substituting of li + cations with ca and mg metals with higher electronegativity, [bh 4] - groups would be discharged from ca (bh 4) 2 and mg (bh 4) 2 more easily, which would initial hydrogen release at a …



Tailoring the Kinetic Behavior of Hydride Forming ...
SEM photos for (A) Mg starting material and (B) Mg + 10 wt.%Fe after 150 h of milling under 0.5 bar H 2 in a magneto Uni-ball device. In 1997, Zaluska et al. [ 63 ] reported a pioneering work about the properties of different as-milled hydride forming materials such as Mg, Mg 2 Ni, FeTi, and LaNi 5 .



Synthesized and characterization of YBa2Cu3Oy, …
10%Besides, the ball-milling leads to small size grains and increase J c and H c in MgB 2 at 5×10 5 A/m 2 at 8 T at 5 K . For the synthesis by high energy ball-milled in Y-based superconductors with various research groups for example, in 2012, Hamrita et al. synthesized the magnetoresistivity and microstructure of YBa 2 Cu 3 O y using planetary ...



Impact of oleylamine: Oleic acid ratio on the morphology ...
We demonstrate improved hydrogen storage properties of a nanoscale Mg–B material made by surfactant ball milling MgB 2 in a mixture of heptane, oleic acid, and oleylamine. Transmission electron microscopy data show that Mg–B nanoplatelets are produced with sizes ranging from 5 to 50 nm, which agglomerate upon ethanol washing to produce an ...



Efficiency Evaluation of ZrB2 Incorporation in the MgB2 ...
The present study suggests the use of high energy ball milling to mix (to dope) the phase MgB2 with the AlB2 crystalline structure compound, ZrB2, with the same C32 hexagonal structure than MgB2, in different concentrations, enabling the maintenance of the crystalline phase structures practically unaffected and the efficient mixture with the dopant.



Surface oxidized two-dimensional antimonene nanosheets for ...
Two-dimensional (2D) antimonene nanosheets are prepared using a combination of ball milling and sonication-based liquid exfoliation and are used as an efficient electrocatalyst for the nitrogen reduction reaction (NRR). In 0.1 M KOH, a high NH3 yield of 180.4 μg h−1 mgCAT−1 and faradaic efficiency (FE) of 11 Journal of Materials Chemistry A HOT Papers 2020 Journal of …



In-situ catalyzation approach for enhancing the ...
Structure change with changing the RBM time. XRD patterns of elemental hcp-Mg powders after RBM time for (a) 0 h, (b) 12.5 h, and (c) 25 h, using, using Ni-balls milling media.The FE-HRTEM ...



Study on Preparation and Characterization of Graphene ...
The raw material ratio is only 25 mg, and the ball mill speed is only 100 r/min. In Buzaglo's study, the content of graphite was only 36 mg. In summary, these two ball milling methods have low production efficiency and high cost, so they are not suitable for road materials. 2.3. Influencing Factors of Grinding Efficiency



Facile assembly of a graphitic carbon nitride film at an ...
The development of a metal-free photoelectrode film is of great significance. Herein, graphitic carbon nitride (g-C 3 N 4) nanosheets with a concentration of up to 36 mg mL −1 were first obtained on a large scale using a wet ball-milling method. The obtained g-C 3 N 4 nanosheets exhibit 6- and 8-times higher activity in terms of photocatalytic H 2 evolution and nicotinamide …



Complex and liquid hydrides for energy storage | SpringerLink
A novel technique for reactive ball milling under a diborane atmosphere was developed, allowing solvent-free synthesis of borohydrides at room temperature, demonstrated by the synthesis of, e.g. LiBH 4, Li 2 B 12 H 12, Li 2 B 10 H 10, Mg(BH 4) 2, MgB 12 H 12 and Ca(BH 4) 2 [20–24].



Structural and magnetic properties of ball-milled powders ...
This paper reports on the structural and magnetic properties of a ball-milled powder sample of (Fe 1−x Mn x) 75 P 15 C 10 (x = 0, 0.05, 0.1, 0.2, and 0.3) mixed metallic amorphous ribbons. X-ray diffraction patterns of the as-made powder samples demonstrate a structural phase transition from amorphous to the nanocrystalline structure having a tetragonal …



Synthesis and hydrogen storage behavior of Mg–V–Al–Cr–Ni ...
Synthesis and hydrogen storage behavior of Mg–V–Al–Cr–Ni high entropy alloys. Abstract The ternary MgVAl, MgVCr, MgVNi, quaternary MgVAlCr, MgVAlNi, MgVCrNi and quinary MgVAlCrNi alloys were produced by high energy ball milling (HEBM) under hydrogen pressure (3.0 MPa) as a strategy to find lightweight alloys for hydrogen storage ...



Corrigendum to "Synthesis, Morphology, and Hydrogen ...
In this work, the obtained Mg55Co45 metastable alloy with BCC structure can reach a hydrogen storage capacity of 3.24 wt% (hydrogen per metal or H/M = 1.28, H/Mg = 2.33) at −15 °C and this ...

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