Advanced Molecular Dynamics Model for Investigating Biological-Origin Microfibril Structures.

Understanding the atomic-scale structure of wood microfibrils is essential for establishing fundamental properties in various wood-based research aspects, including moisture impact, wood modification, and pretreatment. In this study, we employed molecular dynamics simulations to investigate the arrangement of wood polymers, including cellulose, hemicellulose, and lignin, with a primary focus on the composition of softwood, specifically Norway Spruce wood. We assessed the accuracy of our molecular dynamics model by comparing it with available experimental data, such as density, Young's modulus, and glass transition temperature, which ensures the reliability of our approach. A key aspect of our study involved modeling the active sorption site for water interaction with wood polymers. Our findings revealed that the interaction between water and hemicellulose, particularly within the hemicellulose-cellulose interphase, was the most prominent binding site. This observation aligns with prior research in this field, further strengthening the validity of our results.

Fungal colonisation on wood surfaces weathered at diverse climatic conditions.

Natural weathering test at two different European climatic zones were conducted to investigate simultaneously both, the fungal colonisation and weathering process of Scots pine wood (Pinus sylvestris L.). The hypothesis was that the wood performing differently in various climate conditions might affect fungal infestation. The colour changes, wettability, and glossiness were measured as indicators of weathering progress of wood together with an assessment of fungal diversity. Different intensities in weathering, occupancy, and colonisation of fungi on wooden surface were detected. A higher number of fungal species was found on wood exposed to the warm temperate climates compared to subarctic or boreal climates. The dominant fungal species in both locations were from the genera Cladosporium and Aureobasidium.

The Hybrid Stylus: A Multi-Surface Active Stylus for Interacting with and Handwriting on Paper, Tabletop Display or Both.

The distinct properties and affordances of paper provide benefits that enabled paper to maintain an important role in the digital age. This is so much so, that some pen-paper interaction has been imitated in the digital world with touchscreens and stylus pens. Because digital medium also provides several advantages not available to physical paper, there is a clear benefit to merge the two mediums. Despite the plethora of concepts, prototypes and systems to digitise handwritten information on paper, these systems require specially prepared paper, complex setups and software, which can be used solely in combination with paper, and, most importantly, do not support the concurrent precise interaction with both mediums (paper and touchscreen) using one pen only. In this paper, we present the design, fabrication and evaluation of the Hybrid Stylus. The Hybrid Stylus is assembled with the infinity pencil tip (nib) made of graphite and a specially designed shielded tip holder that is attached to an active stylus. The stylus can be used for writing on a physical paper, while it still maintains all the features needed for tablet interaction. Moreover, the stylus also allows simultaneous digitisation of handwritten information on the paper when the paper is placed on the tablet screen. In order to evaluate the concept, we also add a user-friendly manual alignment of paper position on the underlying tablet computer The evaluation demonstrates that the system achieves almost perfect digitisation of strokes (98.6% of strokes were correctly registered with only 1.2% of ghost strokes) whilst maintaining excellent user experience of writing with a pencil on the paper.

One-Step Lignin Refining Process: The Influence of the Solvent Nature on the Properties and Quality of Fractions.

Heterogeneity of kraft lignin is one of the main limitations for the development of high-performance applications. Therefore, refining lignin using organic solvents is a promising strategy to obtain homogenous fractions with controlled quality in terms of structure and properties. In this work, one-step refining processes for hardwood kraft lignin using nine organic solvents of different chemical nature and polarity were carried out with the aim of investigating and understanding the effect of the type of organic solvent on the quality of resulting fractions. Structural features of both soluble and insoluble lignin fractions were assessed by GPC, Py-GC-MS, and FTIR linked to PCA analysis. Moreover, functional properties such as physical appearance, hygroscopicity, antioxidant capacity, and thermal properties were evaluated. The results evidenced the relationship between the nature and polarity of the solvents and the properties of the obtained soluble and insoluble fractions.

Lateral forces determine dimensional accuracy of the narrow-kerf sawing of wood.

The shrinking global forest area limits the supply of industrially usable raw resources. This, in combination with the ever-increasing consumption of timber due to population growth can lead to the lack of a positive balance between the annual volumetric growth and consumption of wood. An important innovation toward increasing environmental and economic sustainability of timber production is to reduce the volume of wood residues by minimizing the sawing kerf. It results in higher material yield but may impact the dimensional accuracy of derived products. Therefore, the cutting tool geometry as well as the sawing process as a whole must be carefully optimized to assure optimal use of resources. The goal of this study is to better understand the causes of machining errors that occur when sawing wood with saws of varying thickness of kerf, with a special focus on re-sawing thin lamellae performed on the gang saw. Numerical simulations were tested against experimental results, considering influence of diverse components of cutting forces, in addition to the initial and operating stiffness coefficients of the saw blade. It has been demonstrated that asymmetric loads from the cutting process for the scraper saw blade can cause sawing inaccuracies. The simulation methodology developed in this research can be straightforwardly extended towards determination of optimal geometry of other cutting tools, particularly with the reduced sawing kerf. This may lead to more sustainable use of natural resources as well as an increase in economic gain for the wood processing industries.

Multi-sensor data fusion and parallel factor analysis reveals kinetics of wood weathering.

Understanding mechanisms of materials deterioration during service life is fundamental for their confident use in the building sector. This work presents analysis of time series of data related to wood weathering acquired at three scales (molecular, microscopic, macroscopic) with different sensors. By using several complementary techniques, the material description is precise and complete; however, the data provided by multiple equipment are often not directly comparable due to different resolution, sensitivity and/or data format. This paper presents an alternative approach for multi-sensor data fusion and modelling of the deterioration processes by means of PARAFAC model. Time series data generated within this research were arranged in a data cube of dimensions samples × sensors × measuring time. The original protocol for data fusion as well as novel meta parameters, such as cumulative nested biplot, was proposed and tested. It was possible to successfully differentiate weathering trends of diverse materials on the basis of the NIR spectra and selected surface appearance indicators. A unique advantage for such visualization of the PARAFAC model output is the possibility of straightforward comparison of the degradation kinetics and deterioration trends simultaneously for all tested materials.

Fractionation of lignin using organic solvents: A combined experimental and theoretical study.

Refining of industrial lignin to produce homogeneous fractions is essential for high-value applications. However, the understanding of key interactions between a variety of solvents with lignin polymer is still uncertain. In this work, single-step fractionation of industrial hardwood kraft lignin (HKL) using organic solvents of different polarities - ethanol, acetone, diethyl ether and hexane - was investigated by combining an experimental and theoretical approach. Experimental results revealed that higher polarity solvents (ethanol and acetone) exhibited higher solubility yield compared to moderate and low polarity solvents. The chemical differences between lignin fractions were proven by pyrolysis gas chromatography mass spectrometry and near infrared spectroscopy. Density functional theory (DFT) results indicated that ethanol presented higher interaction energy followed by acetone, diethyl ether and hexane, which was consistent with experimental findings. Hydrogen bond and non-covalent interaction results from DFT demonstrated that the predominant interaction was found for high polarity of ethanol over other solvents and γ-OH in the lignin model is the key site.

Multiscale modelling investigation of wood modification with acetic anhydride.

Density functional theory (DFT) and molecular dynamics (MD) simulations were employed to investigate the interaction of cellulose and lignin with acetic anhydride for explaining the wood modification process. Cellulose was modelled with a cellobiose unit and dibenzodioxocin was used to represent the lignin model. Results obtained from both methods revealed that acetic anhydride interacted substantially more with the cellobiose model than the lignin model. The interaction energy of cellobiose-acetic anhydride was higher (about 20 kJ mol-1) than that of lignin-acetic anhydride. DFT results on hydrogen bonding indicated that the hydroxyl group from cellobiose and the aromatic hydroxyl group from lignin models have similar energy values, which explain the equal strength of hydrogen bond interaction. The same trend was also obtained for the substitution of acetyl group in the hydroxyl group. MD results have also predicted that acetic anhydride forms a stronger interaction with cellobiose than with the lignin model, and these findings were in agreement with the DFT results.

Effect of the Drying Method of Pine and Beech Wood on Fracture Toughness and Shear Yield Stress.

The modern wood converting processes consists of several stages and material drying belongs to the most influencing future performances of products. The procedure of drying wood is usually realized between subsequent sawing operations, affecting significantly cutting conditions and general properties of material. An alternative methodology for determination of mechanical properties (fracture toughness and shear yield stress) based on cutting process analysis is presented here. Two wood species (pine and beech) representing soft and hard woods were investigated with respect to four diverse drying methods used in industry. Fracture toughness and shear yield stress were determined directly from the cutting power signal that was recorded while frame sawing. An original procedure for compensation of the wood density variation is proposed to generalize mechanical properties of wood and allow direct comparison between species and drying methods. Noticeable differences of fracture toughness and shear yield stress values were found among all drying techniques and for both species, but only for beech wood the differences were statistically significant. These observations provide a new highlight on the understanding of the effect of thermo-hydro modification of wood on mechanical performance of structures. It can be also highly useful to optimize woodworking machines by properly adjusting cutting power requirements.

Development of Low-Cost Portable Spectrometers for Detection of Wood Defects.

Portable spectroscopic instruments are an interesting alternative for in-field and on-line measurements. However, the practical implementation of visible-near infrared (VIS-NIR) portable sensors in the forest sector is challenging due to operation in harsh environmental conditions and natural variability of wood itself. The objective of this work was to use spectroscopic methods as an alternative to visual grading of wood quality. Three portable spectrometers covering visible and near infrared range were used for the detection of selected naturally occurring wood defects, such as knots, decay, resin pockets and reaction wood. Measurements were performed on wooden discs collected during the harvesting process, without any conditioning or sample preparation. Two prototype instruments were developed by integrating commercially available micro-electro-mechanical systems with for-purpose selected lenses and light source. The prototype modules of spectrometers were driven by an Arduino controller. Data were transferred to the PC by USB serial port. Performance of all tested instruments was confronted by two discriminant methods. The best performing was the microNIR instrument, even though the performance of custom prototypes was also satisfactory. This work was an essential part of practical implementation of VIS-NIR spectroscopy for automatic grading of logs directly in the forest. Prototype low-cost spectrometers described here formed the basis for development of a prototype hyperspectral imaging solution tested during harvesting of trees within the frame of a practical demonstration in mountain forests.

Machinability of Minor Wooden Species before and after Modification with Thermo-Vacuum Technology.

The influence of the thermal modification process on wood machinability was investigated with four minor species of low economic importance. A set of representative experimental samples was machined to the form of disks with sharp and dull tools. The resulting surface quality was visually evaluated by a team of experts according to the American standard procedure ASTM D-1666-87. The objective quantification of the surface quality was also done by means of a three dimensions (3D) surface scanner for the whole range of grain orientations. Visual assessment and 3D surface analysis showed a good agreement in terms of conclusions. The best quality of the wood surface was obtained when machining thermally modified samples. The positive effect of the material modification was apparent when cutting deodar cedar, black pine and black poplar in unfavorable conditions (i.e., against the grain). The difference was much smaller for an easy-machinability specie such as Italian alder. The use of dull tools resulted in the worst surface quality. Thermal modification has shown a very positive effect when machining with dull tools, leading to a relevant increment of the final surface smoothness.

Solid state NMR and IR characterization of wood polymer structure in relation to tree provenance.

(13)C nuclear magnetic resonance and mid-infrared spectroscopies were used for characterizing changes in the chemical structure of wood polymers (cellulose, hemicellulose and lignin) in relation to the tree growth location. Samples of three provenances in Europe (Finland, Poland and Italy) were selected for studies. The requirement was to use untreated solid wood samples to minimize any manipulation to the nanostructure of native wood. The results confirm that the chemical and physical properties of samples belonging to the same wood species (Picea abies Karst.) differ due to the origin. Both FT-IR and dynamic NMR spectroscopies were able to correctly discriminate samples originating from three different provenances in Europe. Such methods might be very useful for both, research and understanding of wood microstructure and its variability due to the growth conditions.