Daniel Hoeche

Helmholtz-Zentrum Hereon | HZG · Interface Modelling / Institute of Surface Science

Corrosion is a major cause of material degradation and failure in various industries and applications. Damage caused by corrosion causes billions in damage each year and is a major cause of infrastructure degradation. Besides that, corrosion mechanisms, countermeasures and effects are generally not good understood. The platform CorWiz will provide...

Advanced machine learning (ML) techniques can be used to enable fast processes in evaluation, determination of new correlations, and optimization for material design. In this work, we show how a ML-based model can relate the properties (grain size, tensile yield stress, compressible yield stress, ultimate tensile strength, ultimate compressible str...

We propose a computational framework to study the effect of corrosion on the mechanical strength of magnesium (Mg) samples. Our work is motivated by the need to predict the residual strength of biomedical Mg implants after a given period of degradation in a physiological environment. To model corrosion, a mass-diffusion type model is used that acco...

The exceptionally low corrosion rate (∼0.1 mm y–1 in concentrated NaCl solution for 7 days) enables lean Mg-Ca alloys great potential for diverse applications, particularly if relevant properties (e.g. mechanical strength, electrochemical performance, etc.) can be enhanced by thermomechanical processing. However, herein it is demonstrated that the...

Dissolution-driven stress corrosion cracking is a complicated multi-physics phenomenon consisting of coupling between mechanical stress and corrosion. In this coupled electro-chemo-mechanical problem, the combined effects of mechanical field, localised corrosion and the microstructure with the effects of grain boundaries are investigated. Therein,...

We propose a computational framework to study the effect of corrosion on the mechanical strength of magnesium (Mg) samples. Our work is motivated by the need to predict the residual strength of biomedical Mg implants after a given period of degradation in a physiological environment. To model corrosion, a mass-diffusion type model is used that acco...

A good understanding of influencing parameters is required to predict corrosivity in marine and coastal environments. This study investigated the influences of real-time data of (i) air temperature, (ii) sensor surface temperature, (iii) relative humidity, (iv) precipitation, and (v) wind on steel corrosion via data analysis. The results revealed t...

A good understanding of influencing parameters is required to predict corrosivity in marine and coastal environments. This study investigated the influences of real-time data of (i) air temperature, (ii) sensor surface temperature, (iii) relative humidity, (iv) precipitation, and (v) wind on steel corrosion via data analysis. The results revealed t...

Digitisation is making huge progress, and it is not stopping at automotive corrosion either. Within the entire automotive material life cycle, computer-aided approaches can already assist corrosion engineering and management today. From constructive corrosion protection on galvanically active hybrid constructions to the virtual design of active or...

Open Model develops and provides to European Industry a comprehensive, integrated open modelling framework for accelerated innovation processes and development of novel materials and products. Validation in Open Model includes standardized workflows to quickly and reliably test materials models and solvers, benchmarks efficient comparison with meas...

Diverse novel energy conversion and storage systems have developed rapidly in the last few decades to address the growing demand for sustainable and environmentally friendly energy sources. In this respect, aqueous Mg-air batteries have drawn much attention for their high energy density, cost-effectiveness, and environmental friendliness. A primary...

Oxygen reduction reaction (ORR) has been disclosed in recent studies as a significant secondary cathodic process during magnesium corrosion. This work elaborates on the contribution of ORR to the total corrosion process of pure Mg at different impurity levels in NaCl electrolyte with the assistance of local techniques. A finite element based numeri...

- Implementation of potentiodynamic polarization curves of the steel/bolts (U-I curves) in thin film configuration - Implementation of correct aluminium electrochemical boundary conditions (Epit) - Geometrical parameters of the washer/surface modifications (L, h definition) to be defined for 3-5 µm film thickness scenario - Implementation of envi...

In this paper, a chain of scientific tools is applied to provide a flexible, efficient, and extensible toolchain that is capable of addressing limitations in corrosion simulation. A previously developed computational model of galvanic corrosion for Magnesium–Aluminium couples is considered and the necessities on the choice of implementation strateg...

A numerical model is developed, aiming to understand and describe anode dissolution behavior and respective interface effects at an Mg-0.1Ca anode during discharge within an aqueous magnesium-air battery (MAB). In this model, the negative difference effect (NDE) that impairs the performance (e.g. utilization efficiency and capacity) of the anode is...

Reinforced concrete is one of the most important structural materials currently used for buildings and infrastructure, in which corrosion of the reinforcement is vital in the design, lifetime, and cost. Replacing steel with aluminium reinforcements is interesting from both a design and environmental standpoint. Conventional cement causes damage to...

Mechanical damage induced failure within protective coatings is one of the main reasons for loss of coating integrity. Thus, for applicability of any coating and sealing technology it is mandatory to know the stress/strain levels at which mechanical component failure will occur and it is important to understand which physical entities drive damage...

To meet the growing demand for sustainable and endurable energy sources, various novel energy conversion and storage systems have emerged and been developed rapidly over the last decades. Aqueous metal-air batteries have aroused much interest owing to their superior energy density, exceptional reliability, and environmental benignity. Nevertheless,...

Accelerated testing is widely used in development and pre-qualification of protective organic coatings. In this work 26 coating systems have been investigated in a 2-year C5 atmospheric exposure field test, ISO 9227 salt spray test, ISO 12944-9 cyclic ageing and ISO 16773 electrochemical impedance spectroscopy measurement of coating resistance. Of...

This paper proposes a computational framework to describe the biodegradation of magnesium (Mg)-based bone implants. It is based on a sequential combination of two models: an electrochemical corrosion model to compute the mass loss of the implant over several weeks combined with a mechanical model to assess its residual mechanical strength. The firs...

In this study, sodium salt of Ethylendiaminetetraacetic acid (EDTA), a strong and widely-used complexing agent, was utilized as an additive for a primary Mg-air battery electrolyte with a commercially pure magnesium anode. The electrolyte pH (ranged 7.0 to 11.0) was taken as the main parameter to explore the effect of EDTA on the discharge performa...

Magnesium-based engineering materials are increasingly considered for transport applications due to their exceptional strength to weight ratios. [1] However, effective corrosion protection strategies are required due to the high chemical reactivity of magnesium (Mg). A promising approach to achieve the desired active corrosion protection are layere...

This paper proposes a practical implementation of robust ensemble learning models for accurate prediction of the internal corrosion rate in oil and gas pipelines. A correct assessment of the corrosion rate in fluid flowed oil and gas pipelines has a significant influence on the system's safety and the ability to control operation. The developed pre...

In research and development of photo-electrochemical (PEC) cells for water splitting, most results up to now are based on simulations and experiments on laboratory scales. However, to make PEC cells...

Inhalt Vorwort . . . . . . .1 Fertigungsautomation – Digitaler Zwilling: Vom Konzept zur Anwendung Anwendungsfälle und Ansatz zur Erstellung des Digitalen Zwillings aus Sicht eines Komponentenherstellers . . . . . . 5 Interaktion zwischen Steuerungen auf der Basis von OPC UA FX und deren Konfiguration durch Verwaltungsschalen . . . . . . . . . . 19...

Aqueous primary Mg-air batteries have considerable potential as energy sources for sea applications and portable devices. However, some challenges at the anode-electrolyte interface related to self-corrosion, aging of the electrolyte...

Magnesium alloys are highly attractive for the use as temporary implant materials, due to their high biocompatibility and biodegradability. However, the prediction of the degradation rate of the implants is difficult, therefore, a large number of experiments are required. Computational modelling can aid in enabling the predictability, if sufficient...

The fifth industrial revolution builds on digitalisation and smart technologies shaping products – be it materials or services – that are quantitatively tailored to flexibly respond to evolving needs of humans involved along the whole of product lifecycles, and to comprise at the same time economic, ecologic, and societal exigencies. In the framewo...

The deformation and bonding of particles in Aerosol Deposition (AD) is a topic of growing technological interest for solid-state coating and additive manufacturing with ceramic materials. The core feature of the AD process is the unexpected plasticity of ceramics at high strain rates and small length scales, which is also a topic of general interes...

Adhesively-bonded titanium components enable new design concepts in lightweight engineering but often lack long-term joint durability and endurance. Major challenges are related to the fact that the titanium/adhesive interface is susceptible to environmental ageing which leads to interfacial deadhesion. In the present work, the issue is addressed f...

Tribo-electrochemical impedance spectroscopy (Tribo-EIS) measurements of pure Mg were performed to identify the origin of two time constants during standard EIS measurements in NaCl solution. The influence of abrasion introduced by tribometer on EIS spectra was investigated under different rotation speeds. Further quantitative analyses of abrasion...

In this work, 2,6-dihydroxytbenzoate (2,6-DHB) is evaluated as an efficient electrolyte additive for aqueous Mg-air batteries based on diverse metallic Mg anodes. EIS measurements amid intermittent discharge and real-time hydrogen evolution measurements during discharge were applied to clarify the effective mechanism. The dependence of working mech...

Aqueous Mg batteries are promising energy storage and conversion systems to cope with the increasing demand for green, renewable and sustainable energy. Realization of high energy density and long endurance system is significant for fully delivering the huge potential of aqueous Mg batteries, which has drawn increasing attention and investigations...

Degradation and damage of a material caused by the influence of adverse environments has a significant impact on the lifetime of products and infrastructures. Hence, reducing the impact of corrosion and the development of effective protection measures is an important step in saving costs and burden on natural resources. Corrosion is a multi physica...

https://www.tib.eu/de/suchen/id/TIBKAT%3A1760897167

Up to now, the role of particle sizes on deformation features of ceramic particles in aerosol deposition (AD), is not fully understood. For distinguishing general features, two-dimensional molecular dynamics (MD) simulations are applied to study associated phenomena. The nanoparticles are assumed to have original sizes of 10-300 nm and to impact th...

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Electrochemical impedance spectroscopy measurements were performed to study the evolution of surface condition, which related to the high frequency time constant of Mg, in 0.05 M NaCl solution at three different pH. Based on the assumption that the high frequency time constant originates solely from the surface film, the thickness of MgO film was c...

Novel magnesium-based materials are ideal candidates for use in future aviation vehicles because they are extremely light and can therefore significantly increase the range of these vehicles. They show very good castability, are easy to machine and can be shaped into profiles or forgings to be used as components for next generation aerial vehicle c...

In this work the ZnAl-NO2 LDH (layered double hydroxide) is investigated as a possible additive for mitigating the chloride-induced corrosion of steel in reinforced concrete. The investigation focused on the stability and chloride binding capacity of this LDH in the pH range typical of cementitious materials. Until pH = 12.5 the material was stable...

Up to now, the role of particle sizes on the impact behavior of ceramic particles in aerosol deposition not yet fully understood. Hence, with the aim to supply a more general understanding, modeling series of low strain rate compression and high-speed impact were performed by molecular dynamics on single-crystalline particles in sizes of 10-300 nm...

Indium chloride (InCl3) as an electrolyte additive for primary aqueous Mg batteries is evaluated in this work in terms of its effect on discharge potential, self-corrosion rate and utilization efficiency of a newly developed Mg-0.15Ca anode. InCl3 addition to aqueous electrolyte leads to a more negative discharge potential but the enhancement weake...

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Multi-physics and multiscale modelling frameworks, especially for the computer based analysis of surface damage and corrosion, requires not only robust computational tools but also an efficient data-centric architecture for handling information exchange at different modelling scales. The issue to exchange data provided by different computational so...

Abstract Severe corrosion of Mg and Mg alloys is a major issue hindering their wider application in transportation industry, medical implants and aqueous batteries. Previously, no Mg-based material has been found with a significantly lower corrosion rate than that of ultra-high-purity Mg, i.e. 0.25 mm y−1 in concentrated NaCl solution. In this work...

Temperature-induced localized chemical corrosion of AA-1050 in anhydrous ethanol is examined experimentally at 105 C and 110 C and the generated data is analyzed based on statistical methods. Initiation times are described by a Weibull distribution whereas pit maxima are proven to be drawn from Gumbel parent distribution which is confirmed by modif...

Herein we report micro-alloying with the combination of Ca/In as a novel strategy to improve the anode performance for Mg-air batteries. Two micro-alloyed Mg–Ca–In anodes, i.e. Mg−0.1%Ca−0.2%In and Mg−0.2%Ca−0.4%In (wt%), are fabricated and evaluated in both configurations: half-cell and Mg-air full cell. Re-deposition of metallic In on anode surfa...

Magnesium primary cells are currently experiencing a renaissance following the suggestions of new strategies to boost their performance. The strategies suggested will still maintain utilization efficiencies of 30-70%, which is considered to be relatively modest. In this work a highest ever reported level of utilization efficiency of 82% is achieved...

Ge is evaluated as a micro-alloying element for newly-developed Mg-Ca anodes. The combination of Ca/Ge is effective for suppressing cathodic HER kinetics, resulting in highly negative OCP and a low corrosion rate (0.2 mm y–1). For air battery, Mg-0.1%Ca-0.1%Ge (wt%) anode exhibits similar voltage to Mg-0.1%Ca in NaCl solution, but the highly negati...

Process - property relationship control during magnesium sheet manufacturing is demanding due to the complexity of involved physical parameters and the sensitivity of the system to small changes. Here, data science might help to extract crucial information on interdependencies between processing parameters and sheet quality. In this paper we sugges...

Aqueous primary Mg-air batteries exhibit many merits as potential energy storage and conversion devices. In this work, the discharge performance of water based Mg-air batteries with advanced Mg-Ca anode was boosted by adding Mg²⁺ complexing agents into the electrolyte. The effect of electrolyte additives on the corrosion behavior and discharge prop...

Concrete possesses an intrinsic chloride binding capacity. Chloride ions from the environment bind with the cementitious matrix in the form of chloride containing AFm phases or adsorbed by C‐S‐H phases. The contribution of chemically bound chlorides towards increasing the service life of concrete structures is vital as they help in slowing down the...

The issue of chloride induced corrosion of reinforced concrete is a serious problem affecting infrastructure globally and causing huge economic losses. As such this issue has gained a considerable attention in the scientific community in the recent past. Layered Double Hydroxides (LDHs) have recently emerged as a new class of concrete-additives wit...

A multiscale modelling framework, especially for corrosion modelling, requires not only robust computational tools but also an efficient datacentric architecture for handling information exchange at different modelling scales. Different computational solvers require and produce data in different programming languages and specific formats signifying...

Mg-air primary battery has become an attractive source of energy due to its economic viability, environmental benignity, and high theoretical specific power density. However, low practical delivered power due to high self-corrosion and fast anode fouling are the main reasons that limit their commercial application. Modification of the electrolyte c...

The structure of Calcium-Silicate-Hydrate (C-S-H) and the effect of variations in its water content have been investigated using density functional theory (DFT) calculations. Trends for calculated densities as a function of hydration are in good agreement with experimental values, and in line with what is found using molecular mechanics in the lite...

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Low anodic efficiency of metallic Mg, which results in low discharge capacity and specific energy density, hinders the wider application of aqueous primary Mg batteries. In this work, we clarify the decisive factors effecting the utilization efficiency of Mg anodes. Anodic efficiency of several Mg anodes at different current densities is measured i...

An advanced mathematical approach to describe the influence of corrosion products on the corrosion rate is presented here. The related model can be used as input equation for numerical predictive corrosion simulations or simply as an empirical model, to extrapolate experimental data of corrosion tests to longer times and to interpret the physical p...

Aqueous Mg batteries are promising power sources for different applications due to their remarkable high theoretical energy density, good voltage and low cost. In this chapter, we introduce conventional and newly proposed types of aqueous Mg batteries based on the cathode reactants as well as their working principles. Disadvantages and existing pro...

Aqueous Mg batteries are promising power sources for different applications due to their remarkable high theoretical energy density, good voltage and low cost. In this chapter, we introduce conventional and newly proposed types of aqueous Mg batteries based on the cathode reactants as well as their working principles. Disadvantages and existing pro...