Battery modelling methods for electric vehicles - a review

Electric vehicles (EVs) and hybrid electric vehicles (HEVs) are rapidly gaining popularity as a means of de-carbonization in the transport sector in tackling sustainable energy supply and environment pollution problems. To build a proper battery model is essential in predicting battery behaviour under various operating conditions for avoiding unsafe battery operations and developing proper controlling algorithms and maintenance strategies. This paper presents a comprehensive review of battery modelling methods. In particular, the mechanism and characteristics of Li-ion batteries are presented, and different modelling methods are discussed. Considering that equivalent electric circuit models (EECMs) are the most widely used, a detailed analysis of the modelling procedure is presented.

Dublin 1916: theatre of revolt

At Easter 1916, Dublin city centre was one of a series of sites throughout Ireland where a rebellion was staged against British rule. It was a strategic failure, swiftly crushed by superior British forces. The event, however, subsequently took a central role in the mythology of modern Ireland.

The first visual representations were of the conflict’s aftermath: photographic journeys through landscapes of ruin. From the distance of the camera, we see none of the pockmarks of shell bursts, nor the etchings of machine guns. Instead, traces of life in the city seem to have been swept aside by an unseen hand: the passing of millennia or a violent action of nature. Architecture alone has witnessed and recorded its presence. Amongst the fragments, the shell of the General Post Office (G.P.O.) in Sackville Street is one of the few buildings still wholly recognizable. The remnants of its classical form, portico and pediment, columns and entablature seem to transcend its prosaic modern functions and allude to something more ancient. The bewilderment of city’s inhabitants is also recorded. Dubliners have become inquisitive tourists in streets which hitherto were the locus of everyday life. They wander around aimlessly in a landscape as alien and picturesque as Pompeii. This shift in perception was captured by the Irish poet W.B. Yeats who hinted that Dublin, purged of modern commercialism had transcended its petty inadequacies to revive a slumbering heroic past.

‘I have met them at the close of day
Coming with vivid faces
From counter or desk among grey
Eighteenth-century houses [.]’
All is changed, changed utterly:
A terrible beauty is born.’

His comments were prescient. Initially unpopular, the republican leaders, executed by the British, slowly became recast as heroic martyrs. Similarly, the spaces where their heroism was forged became venerated. The G.P.O. and Sackville Street, however, already had a republican history. It was originally conceived in the eighteenth century as part of a series of magnificent urban spaces to provide an arena of spectacle and self-celebration for the colonial Anglo-Irish and their vision of a Protestant republic. O’Connell/Sackville Street became the temporal, geographical and mythical hinge upon which two different versions of Irish republicanism waxed and waned. Its recasting after independence as a space of Catholic Nationalism bore testimony to its consistency in providing a backdrop for the production of ritual and myth. In the 1920s and 30s, as the nascent country, beset with economic stagnation and political tensions, turned to spectacle as a salve for it social problems, O’Connell Street and the G.P.O. provided its most sacred sites. Within the introduction of new myths, however, individual as well as national identities were created and consolidated. The emerging identity of modern Ireland became inextricably linked with that of one ambitious politician. His uses of the G.P.O. in particular revealed a perceptive understanding of the political uses of classical architecture and urban space.

Parametric scans of HB and LS-RPA regimes employing Petawatt laser

By contrast to the Target Normal Sheath acceleration (TNSA) mechanism [1], Radiation Pressure Acceleration (RPA) is currently attracting a substantial amount of experimental [2,3] and theoretical [4-6] attention worldwide due to its superior scaling in terms of ion energy and laser-ion conversion efficiency. Employing Vulcan Petawatt lasers of the Rutherford Appleton Laboratory, UK, both the Hole-boring (HB) and the Light-Sail (LS) regimes of the RPA have been extensively explored. When the target thickness is of the order of hole-boring velocity times the laser pulse duration, highly collimated plasma jets of near solid density are ejected from the foil, lasting up to ns after the laser interaction. By changing the linear polarisation of the laser to circular, improved homogeneity in the jet's spatial density profile is achieved which suggests more uniform and sustained radiation pressure drive on target ions. By decreasing the target areal density or increasing irradiance on the target, the LS regime of the RPA is accessed where relatively high flux (~ 1012 particles/MeV/Sr) of ions are accelerated to ~ 10 MeV/nucleon energies in a narrow energy bandwidth. The ion energy scaling obtained from the parametric scans agrees well with theoretical estimation based on RPA mechanism and the narrow bandwidth feature in the ion spectra is studied by 2D particle-in-simulations.

Mechanistic aspects of mRNA targeting for nonsense-mediated mRNA decay in human cells

The nonsense-mediated mRNA decay (NMD) pathway is best known as a translation-coupled quality control system that recognizes and degrades aberrant mRNAs with ORF-truncating premature termination codons (PTCs), but a more general role of NMD in posttranscriptional regulation of gene expression is indicated by transcriptome-wide mRNA profilings that identified a plethora of physiological mRNAs as NMD substrates. We try to decipher the mechanism of mRNA targeting to the NMD pathway in human cells. Recruitment of the conserved RNA-binding helicase UPF1 to target mRNAs has been reported to occur through interaction with release factors at terminating ribosomes, but evidence for translation-independent interaction of UPF1 with the 3’ untranslated region (UTR) of mRNAs has also been reported. We have transcriptome-wide determined the UPF1 binding sites by individual-nucleotide resolution UV crosslinking and immunoprecipitation (iCLIP) in human cells, untreated or after inhibiting translation. We detected a strongly enriched association of UPF1 with 3’ UTRs in undisturbed, translationally active cells. After translation inhibition, a significant increase in UPF1 binding to coding sequence (CDS) was observed, indicating that UPF1 binds RNA before translation and gets displaced from the CDS by translating ribosomes. This suggests that the decision to trigger NMD occurs after association of UPF1 with mRNA, presumably through activation of RNA-bound UPF1 by aberrant translation termination. In a second recent study, we re-visited the reported restriction of NMD in mammals to the ‘pioneer round of translation’, i.e. to cap-binding complex (CBC)-bound mRNAs. The limitation of mammalian NMD to early rounds of translation would indicate a – from an evolutionary perspective – unexpected mechanistic difference to NMD in yeast and plants, where PTC-containing mRNAs seem to be available to NMD at each round of translation. In contrast to previous reports, our comparison of decay kinetics of two NMD reporter genes in mRNA fractions bound to either CBC or the eukaryotic initiation factor 4E (eIF4E) in human cells revealed that NMD destabilizes eIF4E-bound transcripts as efficiently as those associated with CBC. These results corroborate an emerging unified model for NMD substrate recognition, according to which NMD can ensue at every aberrant translation termination event.

Hierarchical self-assembly of nucleotide-appended oligopyrenotides into defined supramolecular objects

Supramolecular DNA assembly blends DNA building blocks with synthetic organic and inorganic molecules giving structural and functional advantages both to the initial self-assembly process and to the final construct. Synthetic molecules can bring a number of additional interactions into DNA nanotechnology. Incorporating extended aromatic molecules as connectors of DNA strands allows folding of these strands through π-π stacking (DNA “foldamers”). In previous work it was shown that short oligopyrenotides (phosphodiester-linked pyrene oligomers) behave as staircase-like foldamers, which cooperatively self-assemble into two-dimensional supramolecular polymers in aqueous medium. Herein, we demonstrate that a 10-mer DNA-sequence modified with 7 pyrene units (see illustration) forms dimensionally-defined supramolecular polymers under thermodynamic conditions in water. We present the self-assembly behavior, morphological studies, and the spectroscopic properties of the investigated DNA-sequences (illustrative AFM picture shown below).

Hierarchical self-assembly of the DNA-grafted supramolecular polymers

Conjugation of functional entities with a specific set of optical, mechanical or biological properties to DNA strands allows engineering of sophisticated DNA-containing architectures. Among various hybrid systems, DNA-grafted polymers occupy an important place in modern materials science. In this contribution we present the non-covalent synthesis and properties of DNA-grafted linear supramolecular polymers (SPs), which are assembled in a controllable manner from short chimeric DNA-pyrene oligomers. The synthetic oligomers consist of two parts: a 10 nucleotides long DNA chain and a covalently attached segment of variable number of phosphodiester-linked pyrenes. The temperature-dependent formation of DNA-grafted SPs is described by a nucleation-elongation mechanism. The high tendency of pyrenes to aggregate in water, leads to the rapid formation of SPs. The core of the assemblies consists of stacked pyrenes. They form a 1D platform, to which the DNA chains are attached. Combined spectroscopic and microscopic studies reveal that the major driving forces of the polymerization are π-stacking of pyrenes and hydrophobic interactions, and DNA pairing contributes to a lesser extent. AFM and TEM experiments demonstrate that the 1D SPs appear as elongated ribbons with a length of several hundred nanometers. They exhibit an apparent helical structure with a pitch-to-pitch distance of 50±15 nm. Since DNA pairing is a highly selective process, the ongoing studies are aimed to utilize DNA-grafted SPs for the programmable arrangement of functional entities. For example, the addition of non-modified complementary DNA strands to the DNA-grafted SPs leads to the cooperative formation of higher-order assemblies. Also, our experiments suggest that the fluorescent pyrene core of 1D ribbons serves as an efficient donor platform for energy transfer applications.

From supramolecular sheets to fibers and back: establishing the critical parameters that govern the morphology of pyrene-based self-assembled materials

The precise arraying of functional entities in morphologically well-defined shapes remains one of the key challenges in the processing of organic molecules1. Among various π-conjugated species, pyrene exhibits a set of unique properties, which make it an attractive compound for the utilization in materials science2. In this contribution we report on properties of self-assembled structures prepared from amphiphilic pyrene trimers (Py3) consisting of phosphodiester-linked pyrenes. Depending on the geometry of a pyrene core substitution (1.6-, 1.8-, or 2.7- type, see Scheme), the thermally-controlled self-assembly allows the preparation of supramolecular architectures of different morphologies in a bottom-up approach: two-dimensional (2D) nanosheets3 are formed in case of 1.6- and 2.7-substitution4 whereas one-dimensional (1D) fibers are built from 1.8- substituted isomers. The morphologies of the assemblies are established by AFM and TEM, and the results are further correlated with spectroscopic and scattering data. Two-dimensional assemblies consist of an inner layer of hydrophobic pyrenes, sandwiched between a net of phosphates. Due to the repulsion of the negative charges, the 2D assemblies exist mostly as free-standing sheets. An internal alignment of pyrenes leads to strong exciton coupling with an unprecedented observation (simultaneous development of J- and H-bands from two different electronic transitions). Despite the similarity in spectroscopic properties, the structural parameters of the 2D aggregates drastically depend on the preparation procedure. Under certain conditions extra-large sheets (thickness of 2 nm, aspect ratio area/thickness ~107) in aqueous solution are formed4B. Finally, one-dimensional assemblies are formed as micrometer-long and nanometer-thick fibers. Both, planar and linear structures are intriguing objects for the creation of conductive nanowires that may find interest for applications in supramolecular electronics.